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 3njp_1_B DATA FIRST_RESID 1 DATA SEQUENCE LEEKKVcQGT SNKLTQLGTF EDHFLSLQRM FNNcEVVLGN LEITYVQRNY DATA SEQUENCE DLSFLKTIQE VAGYVLIALN TVERIPLENL QIIRGNMYYE NSYALAVLSN DATA SEQUENCE YDANKTGLKE LPMRNLQEIL HGAVRFSNNP ALcNVESIQW RDIVSSDFLS DATA SEQUENCE NMSMDFQNHL GScQKcDPSc PNGScWGAGE ENcQKLTKII cAQQcSGRcR DATA SEQUENCE GKSPSDccHN QcAAGcTGPR ESDcLVcRKF RDEATcKDTc PPLMLYNPTT DATA SEQUENCE YQMDVNPEGK YSFGATcVKK cPRNYVVTDH GScVRAcGAD SYEMEEDGVR DATA SEQUENCE KcKKcEGPcR KVcNGIGIGE FKDSLSINAT NIKHFKNcTS ISGDLHILPV DATA SEQUENCE AFRGDSFTHT PPLDPQELDI LKTVKEITGF LLIQAWPENR TDLHAFENLE DATA SEQUENCE IIRGRTKQHG QFSLAVVSLN ITSLGLRSLK EISDGDVIIS GNKNLcYANT DATA SEQUENCE INWKKLFGTS GQKTKIISNR GENScKATGQ VcHALcSPEG cWGPEPRDcV DATA SEQUENCE ScRNVSRGRE cVDKcKLLEG EPREFVENSE cIQcHPEcLP QAMNITcTGR DATA SEQUENCE GPDNcIQcAH YIDGPHcVKT cPAGVMGENN TLVWKYADAG HVcHLcHPNc DATA SEQUENCE TYGcTGPGLE GcPT 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.869 176.870 -0.001 0.000 1.165 1 L CA 0.000 54.840 54.840 -0.000 0.000 0.813 1 L CB 0.000 42.059 42.059 -0.000 0.000 0.961 2 E N 2.800 122.999 120.200 -0.001 0.000 2.102 2 E HA 0.228 4.578 4.350 0.001 0.000 0.263 2 E C -0.708 175.891 176.600 -0.001 0.000 0.894 2 E CA -0.426 55.972 56.400 -0.002 0.000 0.746 2 E CB 1.120 30.818 29.700 -0.003 0.000 1.129 2 E HN 0.263 nan 8.360 nan 0.000 0.416 3 E N 4.647 124.846 120.200 -0.002 0.000 2.480 3 E HA -0.001 4.350 4.350 0.001 0.000 0.258 3 E C -0.548 176.051 176.600 -0.002 0.000 0.984 3 E CA 0.006 56.406 56.400 -0.000 0.000 0.930 3 E CB 0.599 30.298 29.700 -0.002 0.000 0.936 3 E HN 0.289 nan 8.360 nan 0.000 0.466 4 K N 3.031 123.432 120.400 0.002 0.000 2.494 4 K HA -0.030 4.291 4.320 0.001 0.000 0.273 4 K C -0.053 176.545 176.600 -0.003 0.000 0.970 4 K CA 0.407 56.695 56.287 0.002 0.000 0.963 4 K CB 0.351 32.854 32.500 0.005 0.000 0.913 4 K HN 0.448 nan 8.250 nan 0.000 0.502 5 K N 1.612 122.010 120.400 -0.004 0.000 2.234 5 K HA 0.181 4.501 4.320 0.001 0.000 0.282 5 K C -0.318 176.274 176.600 -0.013 0.000 1.039 5 K CA -0.602 55.677 56.287 -0.012 0.000 0.928 5 K CB 0.969 33.462 32.500 -0.012 0.000 1.039 5 K HN 0.347 nan 8.250 nan 0.000 0.470 6 V N -0.122 119.776 119.914 -0.028 0.000 2.555 6 V HA 0.612 4.733 4.120 0.001 0.000 0.302 6 V C -0.123 175.930 176.094 -0.069 0.000 1.038 6 V CA -1.117 61.163 62.300 -0.034 0.000 0.887 6 V CB 0.908 32.714 31.823 -0.028 0.000 0.991 6 V HN 1.009 nan 8.190 nan 0.000 0.434 7 c N 2.477 121.025 118.600 -0.087 0.000 2.614 7 c HA 0.703 5.273 4.570 0.001 0.000 0.320 7 c C 1.165 175.153 174.090 -0.170 0.000 1.200 7 c CA -0.423 55.803 56.329 -0.172 0.000 1.700 7 c CB 1.520 43.861 42.510 -0.281 0.000 2.275 7 c HN 0.940 nan 8.230 nan 0.000 0.492 8 Q N 1.581 121.262 119.800 -0.197 0.000 2.046 8 Q HA 0.373 4.713 4.340 0.001 0.000 0.200 8 Q C 1.101 177.014 176.000 -0.145 0.000 0.975 8 Q CA 2.362 58.080 55.803 -0.141 0.000 0.836 8 Q CB -0.593 28.076 28.738 -0.116 0.000 0.896 8 Q HN 1.984 nan 8.270 nan 0.000 0.428 9 G N -0.555 108.090 108.800 -0.259 0.000 2.712 9 G HA2 -0.129 3.832 3.960 0.001 0.000 0.686 9 G HA3 -0.129 3.832 3.960 0.001 0.000 0.686 9 G C -0.214 174.635 174.900 -0.085 0.000 1.181 9 G CA -0.271 44.728 45.100 -0.167 0.000 0.762 9 G HN 0.514 nan 8.290 nan 0.000 0.641 10 T N -1.361 113.217 114.554 0.039 0.000 2.849 10 T HA 0.745 5.096 4.350 0.001 0.000 0.284 10 T C 0.655 175.381 174.700 0.042 0.000 1.004 10 T CA 0.313 62.437 62.100 0.041 0.000 1.021 10 T CB 1.859 70.790 68.868 0.105 0.000 1.013 10 T HN 1.493 nan 8.240 nan 0.000 0.527 11 S N 1.444 117.181 115.700 0.062 0.000 2.593 11 S HA 0.269 4.739 4.470 0.001 0.000 0.178 11 S C 0.175 174.852 174.600 0.128 0.000 1.114 11 S CA -0.820 57.437 58.200 0.095 0.000 1.199 11 S CB -0.138 63.108 63.200 0.076 0.000 1.564 11 S HN 0.749 nan 8.310 nan 0.000 0.407 12 N N 1.681 120.467 118.700 0.143 0.000 2.250 12 N HA 0.188 4.928 4.740 0.001 0.000 0.190 12 N C 0.636 176.264 175.510 0.197 0.000 1.116 12 N CA 0.028 53.167 53.050 0.149 0.000 0.881 12 N CB 0.252 38.818 38.487 0.132 0.000 1.006 12 N HN 0.379 nan 8.380 nan 0.000 0.491 13 K N 0.047 120.591 120.400 0.240 0.000 1.795 13 K HA -0.226 4.095 4.320 0.001 0.000 0.138 13 K C 0.612 177.348 176.600 0.227 0.000 1.027 13 K CA 1.626 58.081 56.287 0.280 0.000 0.303 13 K CB -1.342 31.350 32.500 0.321 0.000 0.699 13 K HN -0.023 nan 8.250 nan 0.000 0.789 14 L N 1.721 123.083 121.223 0.232 0.000 2.612 14 L HA 0.075 4.415 4.340 0.001 0.000 0.230 14 L C 0.604 177.696 176.870 0.371 0.000 1.140 14 L CA 0.082 55.059 54.840 0.229 0.000 0.896 14 L CB -0.097 42.072 42.059 0.185 0.000 1.065 14 L HN 0.355 nan 8.230 nan 0.000 0.447 15 T N 0.779 115.514 114.554 0.302 0.000 2.919 15 T HA 0.071 4.422 4.350 0.001 0.000 0.302 15 T C 0.035 174.946 174.700 0.352 0.000 1.031 15 T CA 0.065 62.315 62.100 0.249 0.000 1.127 15 T CB 1.228 70.187 68.868 0.153 0.000 0.952 15 T HN 0.186 nan 8.240 nan 0.000 0.540 16 Q N 3.087 122.972 119.800 0.141 0.000 2.307 16 Q HA 0.401 4.741 4.340 0.001 0.000 0.262 16 Q C -1.040 175.070 176.000 0.184 0.000 0.961 16 Q CA -0.720 55.150 55.803 0.111 0.000 0.882 16 Q CB 0.602 29.001 28.738 -0.565 0.000 1.264 16 Q HN 0.603 nan 8.270 nan 0.000 0.446 17 L N 5.287 126.727 121.223 0.362 0.000 2.358 17 L HA 0.452 4.792 4.340 0.001 0.000 0.274 17 L C 0.830 177.753 176.870 0.089 0.000 1.136 17 L CA 0.049 54.950 54.840 0.101 0.000 0.970 17 L CB -0.600 41.434 42.059 -0.042 0.000 1.314 17 L HN 1.057 nan 8.230 nan 0.000 0.427 18 G N 2.341 111.156 108.800 0.026 0.000 2.553 18 G HA2 -0.276 3.685 3.960 0.001 0.000 0.242 18 G HA3 -0.276 3.685 3.960 0.001 0.000 0.242 18 G C 0.076 174.949 174.900 -0.044 0.000 1.277 18 G CA -0.203 44.892 45.100 -0.008 0.000 0.910 18 G HN 0.686 nan 8.290 nan 0.000 0.576 19 T N -1.497 113.033 114.554 -0.040 0.000 2.813 19 T HA 0.518 4.868 4.350 0.001 0.000 0.297 19 T C 1.456 176.180 174.700 0.040 0.000 1.036 19 T CA 0.661 62.703 62.100 -0.097 0.000 1.044 19 T CB 0.600 69.441 68.868 -0.044 0.000 0.993 19 T HN 0.638 nan 8.240 nan 0.000 0.535 20 F N 0.050 120.024 119.950 0.040 0.000 2.147 20 F HA -0.141 4.386 4.527 0.001 0.000 0.301 20 F C 2.753 178.595 175.800 0.071 0.000 1.084 20 F CA 1.646 59.679 58.000 0.055 0.000 1.268 20 F CB -0.161 38.887 39.000 0.079 0.000 1.009 20 F HN 0.801 nan 8.300 nan 0.000 0.486 21 E N 0.669 121.037 120.200 0.281 0.000 2.046 21 E HA -0.198 4.153 4.350 0.001 0.000 0.190 21 E C 1.672 178.399 176.600 0.212 0.000 0.982 21 E CA 1.493 58.024 56.400 0.219 0.000 0.800 21 E CB -0.034 29.806 29.700 0.232 0.000 0.756 21 E HN 0.253 nan 8.360 nan 0.000 0.449 22 D N -0.081 120.418 120.400 0.166 0.000 2.103 22 D HA -0.242 4.398 4.640 0.001 0.000 0.190 22 D C 1.862 178.251 176.300 0.148 0.000 0.997 22 D CA 1.794 55.867 54.000 0.123 0.000 0.833 22 D CB -0.876 39.970 40.800 0.076 0.000 0.961 22 D HN 0.386 nan 8.370 nan 0.000 0.447 23 H N -0.832 118.299 119.070 0.101 0.000 2.353 23 H HA -0.180 4.377 4.556 0.001 0.000 0.298 23 H C 2.010 177.409 175.328 0.118 0.000 1.103 23 H CA 1.833 57.950 56.048 0.116 0.000 1.293 23 H CB -0.318 29.549 29.762 0.175 0.000 1.372 23 H HN 0.157 nan 8.280 nan 0.000 0.501 24 F N -0.307 119.726 119.950 0.138 0.000 2.128 24 F HA -0.109 4.419 4.527 0.001 0.000 0.295 24 F C 2.044 177.846 175.800 0.003 0.000 1.100 24 F CA 0.763 58.764 58.000 0.002 0.000 1.260 24 F CB -0.353 38.429 39.000 -0.363 0.000 1.009 24 F HN 0.219 nan 8.300 nan 0.000 0.476 25 L N 0.028 121.353 121.223 0.170 0.000 2.191 25 L HA -0.126 4.215 4.340 0.001 0.000 0.212 25 L C 2.297 179.100 176.870 -0.112 0.000 1.103 25 L CA 1.581 56.454 54.840 0.056 0.000 0.769 25 L CB -1.141 41.005 42.059 0.144 0.000 0.908 25 L HN 0.150 nan 8.230 nan 0.000 0.438 26 S N -0.930 114.706 115.700 -0.108 0.000 2.377 26 S HA -0.085 4.385 4.470 0.001 0.000 0.223 26 S C 1.759 176.252 174.600 -0.179 0.000 1.030 26 S CA 0.918 59.028 58.200 -0.150 0.000 0.970 26 S CB -0.317 62.793 63.200 -0.150 0.000 0.830 26 S HN 0.412 nan 8.310 nan 0.000 0.473 27 L N 2.023 123.143 121.223 -0.172 0.000 2.187 27 L HA -0.090 4.251 4.340 0.001 0.000 0.213 27 L C 2.243 179.057 176.870 -0.093 0.000 1.100 27 L CA 1.722 56.538 54.840 -0.040 0.000 0.765 27 L CB -0.497 41.545 42.059 -0.028 0.000 0.904 27 L HN 0.314 nan 8.230 nan 0.000 0.437 28 Q N -0.928 118.601 119.800 -0.452 0.000 2.137 28 Q HA -0.130 4.210 4.340 0.001 0.000 0.198 28 Q C 2.236 177.863 176.000 -0.622 0.000 0.960 28 Q CA 0.884 56.121 55.803 -0.943 0.000 0.847 28 Q CB 0.027 28.241 28.738 -0.873 0.000 0.915 28 Q HN 0.492 nan 8.270 nan 0.000 0.448 29 R N -0.345 119.936 120.500 -0.366 0.000 2.189 29 R HA -0.076 4.264 4.340 0.001 0.000 0.218 29 R C 2.036 178.167 176.300 -0.281 0.000 1.074 29 R CA 1.187 57.121 56.100 -0.276 0.000 0.991 29 R CB -0.074 30.105 30.300 -0.201 0.000 0.883 29 R HN 0.283 nan 8.270 nan 0.000 0.457 30 M N -0.859 118.555 119.600 -0.311 0.000 2.394 30 M HA 0.074 4.554 4.480 0.001 0.000 0.266 30 M C 0.506 176.444 176.300 -0.604 0.000 1.098 30 M CA 1.666 56.680 55.300 -0.476 0.000 1.149 30 M CB 0.465 32.711 32.600 -0.591 0.000 1.369 30 M HN -0.045 nan 8.290 nan 0.000 0.450 31 F N -0.479 119.369 119.950 -0.170 0.000 2.654 31 F HA 0.367 4.894 4.527 0.001 0.000 0.303 31 F C 0.270 176.025 175.800 -0.076 0.000 1.099 31 F CA -0.831 57.133 58.000 -0.060 0.000 1.270 31 F CB -0.403 38.657 39.000 0.099 0.000 1.024 31 F HN 0.042 nan 8.300 nan 0.000 0.548 32 N N 1.795 120.410 118.700 -0.142 0.000 2.438 32 N HA -0.013 4.727 4.740 0.001 0.000 0.267 32 N C 0.336 175.828 175.510 -0.031 0.000 1.222 32 N CA 0.795 53.756 53.050 -0.150 0.000 0.930 32 N CB -0.381 37.955 38.487 -0.253 0.000 1.083 32 N HN 0.410 nan 8.380 nan 0.000 0.476 33 N N -0.005 118.722 118.700 0.045 0.000 2.965 33 N HA -0.260 4.481 4.740 0.001 0.000 0.232 33 N C -0.379 175.155 175.510 0.041 0.000 0.913 33 N CA 0.711 53.783 53.050 0.037 0.000 0.981 33 N CB -1.487 36.999 38.487 -0.001 0.000 1.077 33 N HN 0.535 nan 8.380 nan 0.000 0.589 34 c N 1.652 120.290 118.600 0.064 0.000 2.642 34 c HA 0.045 4.615 4.570 0.001 0.000 0.420 34 c C 1.635 175.772 174.090 0.079 0.000 1.349 34 c CA 0.520 56.888 56.329 0.065 0.000 1.821 34 c CB 0.223 42.800 42.510 0.112 0.000 2.637 34 c HN 0.358 nan 8.230 nan 0.000 0.605 35 E N 2.147 122.375 120.200 0.047 0.000 2.453 35 E HA 0.185 4.535 4.350 0.001 0.000 0.211 35 E C -0.614 176.008 176.600 0.037 0.000 0.897 35 E CA 0.292 56.715 56.400 0.039 0.000 1.063 35 E CB 0.837 30.550 29.700 0.021 0.000 1.080 35 E HN 0.539 nan 8.360 nan 0.000 0.512 36 V N 2.337 122.272 119.914 0.035 0.000 2.488 36 V HA 0.174 4.294 4.120 0.001 0.000 0.293 36 V C -0.443 175.672 176.094 0.034 0.000 1.027 36 V CA -0.777 61.541 62.300 0.029 0.000 0.862 36 V CB 1.918 33.748 31.823 0.012 0.000 1.008 36 V HN -0.102 nan 8.190 nan 0.000 0.428 37 V N 6.538 126.490 119.914 0.062 0.000 2.356 37 V HA 0.183 4.303 4.120 0.001 0.000 0.258 37 V C 1.386 177.492 176.094 0.020 0.000 1.065 37 V CA -0.006 62.339 62.300 0.075 0.000 0.935 37 V CB 0.749 32.680 31.823 0.180 0.000 1.061 37 V HN 0.783 nan 8.190 nan 0.000 0.484 38 L N 3.636 124.851 121.223 -0.013 0.000 2.131 38 L HA 0.027 4.368 4.340 0.001 0.000 0.210 38 L C 1.844 178.692 176.870 -0.036 0.000 1.092 38 L CA 1.630 56.453 54.840 -0.028 0.000 0.759 38 L CB -0.401 41.636 42.059 -0.037 0.000 0.903 38 L HN 0.781 nan 8.230 nan 0.000 0.435 39 G N -1.196 107.580 108.800 -0.040 0.000 3.392 39 G HA2 0.203 4.163 3.960 0.001 0.000 0.188 39 G HA3 0.203 4.163 3.960 0.001 0.000 0.188 39 G C -0.336 174.501 174.900 -0.105 0.000 1.485 39 G CA -0.453 44.608 45.100 -0.066 0.000 0.943 39 G HN 0.021 nan 8.290 nan 0.000 0.627 40 N N 0.025 118.633 118.700 -0.153 0.000 2.443 40 N HA 0.419 5.159 4.740 0.001 0.000 0.295 40 N C -1.274 174.210 175.510 -0.044 0.000 1.076 40 N CA -0.448 52.424 53.050 -0.297 0.000 0.919 40 N CB 2.290 40.398 38.487 -0.631 0.000 1.176 40 N HN 0.236 nan 8.380 nan 0.000 0.487 41 L N 1.654 122.830 121.223 -0.078 0.000 2.272 41 L HA 0.323 4.664 4.340 0.001 0.000 0.284 41 L C -0.465 176.345 176.870 -0.100 0.000 1.045 41 L CA -0.067 54.731 54.840 -0.069 0.000 0.842 41 L CB 0.057 42.026 42.059 -0.149 0.000 1.224 41 L HN 0.428 nan 8.230 nan 0.000 0.430 42 E N 6.324 126.501 120.200 -0.039 0.000 2.183 42 E HA 0.338 4.688 4.350 0.001 0.000 0.250 42 E C -0.881 175.699 176.600 -0.033 0.000 0.901 42 E CA -0.136 56.261 56.400 -0.005 0.000 0.741 42 E CB 1.012 30.767 29.700 0.092 0.000 1.182 42 E HN 0.566 nan 8.360 nan 0.000 0.425 43 I N 3.303 123.810 120.570 -0.106 0.000 2.287 43 I HA 0.195 4.365 4.170 0.001 0.000 0.290 43 I C 0.126 176.201 176.117 -0.070 0.000 1.069 43 I CA -0.262 60.987 61.300 -0.085 0.000 1.237 43 I CB 0.298 38.207 38.000 -0.152 0.000 1.418 43 I HN 0.315 nan 8.210 nan 0.000 0.481 44 T N 0.407 114.980 114.554 0.033 0.000 2.903 44 T HA 0.496 4.846 4.350 0.001 0.000 0.299 44 T C -0.095 174.516 174.700 -0.149 0.000 1.093 44 T CA -0.659 61.342 62.100 -0.165 0.000 1.002 44 T CB 1.135 69.844 68.868 -0.265 0.000 1.127 44 T HN 0.579 nan 8.240 nan 0.000 0.488 45 Y N -1.230 118.946 120.300 -0.208 0.000 4.177 45 Y HA -0.190 4.360 4.550 0.001 0.000 0.227 45 Y C 0.254 175.974 175.900 -0.300 0.000 1.154 45 Y CA -0.011 57.893 58.100 -0.326 0.000 1.887 45 Y CB -2.347 35.829 38.460 -0.474 0.000 1.594 45 Y HN 0.617 nan 8.280 nan 0.000 0.668 46 V N 1.963 121.836 119.914 -0.068 0.000 2.408 46 V HA 0.167 4.288 4.120 0.001 0.000 0.267 46 V C 0.555 176.614 176.094 -0.058 0.000 1.047 46 V CA -0.808 61.494 62.300 0.003 0.000 0.937 46 V CB 1.222 33.111 31.823 0.110 0.000 0.999 46 V HN 0.117 nan 8.190 nan 0.000 0.472 47 Q N 3.344 123.132 119.800 -0.020 0.000 2.237 47 Q HA 0.455 4.796 4.340 0.001 0.000 0.219 47 Q C 0.248 176.310 176.000 0.104 0.000 0.999 47 Q CA -0.751 55.043 55.803 -0.014 0.000 0.959 47 Q CB 0.762 29.468 28.738 -0.054 0.000 1.173 47 Q HN 0.524 nan 8.270 nan 0.000 0.527 48 R N 1.012 121.510 120.500 -0.003 0.000 2.758 48 R HA -0.089 4.252 4.340 0.001 0.000 0.263 48 R C 0.225 176.463 176.300 -0.103 0.000 1.010 48 R CA 0.488 56.568 56.100 -0.033 0.000 1.114 48 R CB -0.365 29.908 30.300 -0.045 0.000 0.985 48 R HN 0.784 nan 8.270 nan 0.000 0.439 49 N N -1.128 117.518 118.700 -0.090 0.000 2.815 49 N HA -0.273 4.467 4.740 0.001 0.000 0.247 49 N C -0.899 174.476 175.510 -0.224 0.000 1.030 49 N CA 0.866 53.828 53.050 -0.147 0.000 0.881 49 N CB -1.122 37.253 38.487 -0.186 0.000 1.134 49 N HN 0.524 nan 8.380 nan 0.000 0.582 50 Y N 0.869 121.082 120.300 -0.145 0.000 2.304 50 Y HA 0.179 4.729 4.550 0.001 0.000 0.327 50 Y C 0.718 176.581 175.900 -0.062 0.000 1.209 50 Y CA -0.424 57.523 58.100 -0.256 0.000 1.299 50 Y CB 0.720 38.890 38.460 -0.484 0.000 1.249 50 Y HN -0.044 nan 8.280 nan 0.000 0.519 51 D N 3.610 124.156 120.400 0.244 0.000 2.380 51 D HA 0.185 4.825 4.640 0.001 0.000 0.230 51 D C -0.385 176.123 176.300 0.347 0.000 1.154 51 D CA 0.109 54.268 54.000 0.265 0.000 0.859 51 D CB 0.491 41.439 40.800 0.246 0.000 1.045 51 D HN 0.524 nan 8.370 nan 0.000 0.495 52 L N 2.902 124.164 121.223 0.066 0.000 2.848 52 L HA 0.136 4.476 4.340 0.001 0.000 0.240 52 L C 1.651 178.239 176.870 -0.470 0.000 1.232 52 L CA -0.146 54.488 54.840 -0.344 0.000 1.031 52 L CB 0.127 42.042 42.059 -0.241 0.000 1.338 52 L HN 0.239 nan 8.230 nan 0.000 0.509 53 S N 0.543 116.127 115.700 -0.192 0.000 2.474 53 S HA -0.128 4.342 4.470 0.001 0.000 0.235 53 S C 1.646 176.201 174.600 -0.075 0.000 0.997 53 S CA 0.962 59.107 58.200 -0.092 0.000 0.949 53 S CB -0.158 63.059 63.200 0.028 0.000 0.766 53 S HN 0.635 nan 8.310 nan 0.000 0.517 54 F N 0.413 120.384 119.950 0.035 0.000 2.661 54 F HA 0.278 4.806 4.527 0.001 0.000 0.298 54 F C 1.172 176.975 175.800 0.004 0.000 1.137 54 F CA 0.248 58.261 58.000 0.020 0.000 1.454 54 F CB -0.777 38.235 39.000 0.020 0.000 1.103 54 F HN 0.042 nan 8.300 nan 0.000 0.577 55 L N 0.611 121.633 121.223 -0.335 0.000 2.627 55 L HA 0.084 4.425 4.340 0.001 0.000 0.233 55 L C 1.704 178.511 176.870 -0.105 0.000 1.144 55 L CA 0.422 55.138 54.840 -0.206 0.000 0.892 55 L CB -0.531 41.301 42.059 -0.378 0.000 1.039 55 L HN 0.208 nan 8.230 nan 0.000 0.442 56 K N -0.361 120.003 120.400 -0.060 0.000 2.365 56 K HA -0.013 4.308 4.320 0.001 0.000 0.197 56 K C 1.851 178.444 176.600 -0.010 0.000 1.042 56 K CA 1.245 57.507 56.287 -0.042 0.000 0.987 56 K CB 0.136 32.618 32.500 -0.030 0.000 0.779 56 K HN 0.355 nan 8.250 nan 0.000 0.484 57 T N -0.865 113.705 114.554 0.027 0.000 3.081 57 T HA 0.176 4.526 4.350 0.001 0.000 0.255 57 T C 0.920 175.641 174.700 0.035 0.000 1.113 57 T CA -0.132 61.990 62.100 0.037 0.000 1.082 57 T CB -0.179 68.727 68.868 0.062 0.000 0.939 57 T HN -0.031 nan 8.240 nan 0.000 0.506 58 I N 2.604 123.194 120.570 0.034 0.000 2.581 58 I HA 0.066 4.236 4.170 0.001 0.000 0.285 58 I C 1.360 177.477 176.117 0.001 0.000 1.129 58 I CA 0.089 61.408 61.300 0.033 0.000 1.397 58 I CB 0.848 38.861 38.000 0.021 0.000 1.399 58 I HN 0.256 nan 8.210 nan 0.000 0.537 59 Q N 5.380 125.185 119.800 0.009 0.000 2.394 59 Q HA 0.092 4.432 4.340 0.001 0.000 0.218 59 Q C -0.337 175.661 176.000 -0.003 0.000 0.907 59 Q CA 0.475 56.275 55.803 -0.004 0.000 0.919 59 Q CB 0.576 29.315 28.738 0.001 0.000 1.051 59 Q HN 0.735 nan 8.270 nan 0.000 0.538 60 E N -0.389 119.817 120.200 0.010 0.000 2.343 60 E HA 0.536 4.886 4.350 0.001 0.000 0.278 60 E C -1.353 175.262 176.600 0.024 0.000 0.910 60 E CA -0.744 55.665 56.400 0.015 0.000 0.757 60 E CB 2.226 31.935 29.700 0.015 0.000 1.218 60 E HN -0.221 nan 8.360 nan 0.000 0.435 61 V N 2.092 122.021 119.914 0.026 0.000 2.407 61 V HA 0.425 4.545 4.120 0.001 0.000 0.291 61 V C 0.786 176.896 176.094 0.027 0.000 1.018 61 V CA -0.042 62.275 62.300 0.028 0.000 0.842 61 V CB 1.097 32.932 31.823 0.020 0.000 0.996 61 V HN 1.003 nan 8.190 nan 0.000 0.426 62 A N 4.063 126.890 122.820 0.012 0.000 1.897 62 A HA 0.180 4.500 4.320 0.001 0.000 0.215 62 A C 1.754 179.344 177.584 0.010 0.000 1.181 62 A CA 1.577 53.618 52.037 0.007 0.000 0.620 62 A CB -0.522 18.467 19.000 -0.017 0.000 0.821 62 A HN 0.925 nan 8.150 nan 0.000 0.443 63 G N -1.081 107.701 108.800 -0.029 0.000 3.152 63 G HA2 0.383 4.343 3.960 0.001 0.000 0.157 63 G HA3 0.383 4.343 3.960 0.001 0.000 0.157 63 G C 0.222 175.152 174.900 0.050 0.000 1.786 63 G CA 0.460 45.527 45.100 -0.054 0.000 1.055 63 G HN 0.698 nan 8.290 nan 0.000 0.528 64 Y N -2.556 117.801 120.300 0.094 0.000 2.630 64 Y HA 0.736 5.287 4.550 0.001 0.000 0.337 64 Y C -0.783 175.147 175.900 0.049 0.000 1.051 64 Y CA -1.957 56.205 58.100 0.103 0.000 1.121 64 Y CB 1.469 40.027 38.460 0.163 0.000 1.299 64 Y HN 0.219 nan 8.280 nan 0.000 0.498 65 V N 3.391 123.479 119.914 0.290 0.000 2.326 65 V HA 0.324 4.444 4.120 0.001 0.000 0.281 65 V C -0.991 175.148 176.094 0.074 0.000 1.015 65 V CA -0.519 61.852 62.300 0.118 0.000 0.823 65 V CB 0.956 32.801 31.823 0.037 0.000 1.009 65 V HN 0.701 nan 8.190 nan 0.000 0.436 66 L N 7.575 128.824 121.223 0.043 0.000 2.272 66 L HA 0.648 4.988 4.340 0.001 0.000 0.289 66 L C -0.512 176.232 176.870 -0.210 0.000 1.032 66 L CA 0.269 54.998 54.840 -0.186 0.000 0.810 66 L CB 0.999 42.921 42.059 -0.228 0.000 1.205 66 L HN 0.550 nan 8.230 nan 0.000 0.422 67 I N 6.148 126.552 120.570 -0.276 0.000 2.495 67 I HA 0.656 4.826 4.170 0.001 0.000 0.277 67 I C -0.375 175.568 176.117 -0.291 0.000 1.045 67 I CA -0.309 60.844 61.300 -0.245 0.000 1.135 67 I CB 1.140 39.017 38.000 -0.205 0.000 1.241 67 I HN 0.771 nan 8.210 nan 0.000 0.469 68 A N 5.770 128.406 122.820 -0.306 0.000 2.475 68 A HA 0.831 5.152 4.320 0.001 0.000 0.301 68 A C 0.154 177.485 177.584 -0.421 0.000 1.059 68 A CA -0.535 51.297 52.037 -0.342 0.000 0.710 68 A CB 1.437 20.236 19.000 -0.334 0.000 1.288 68 A HN 0.707 nan 8.150 nan 0.000 0.408 69 L N 0.516 121.493 121.223 -0.412 0.000 3.634 69 L HA -0.195 4.146 4.340 0.001 0.000 0.423 69 L C -0.438 176.203 176.870 -0.382 0.000 1.253 69 L CA 0.080 54.652 54.840 -0.447 0.000 0.885 69 L CB -1.873 39.812 42.059 -0.623 0.000 1.789 69 L HN 0.715 nan 8.230 nan 0.000 0.904 70 N N 0.196 118.726 118.700 -0.283 0.000 2.392 70 N HA 0.358 5.098 4.740 0.001 0.000 0.283 70 N C 1.155 176.580 175.510 -0.141 0.000 1.003 70 N CA 0.300 53.232 53.050 -0.196 0.000 0.892 70 N CB 1.845 40.243 38.487 -0.148 0.000 1.193 70 N HN 0.295 nan 8.380 nan 0.000 0.487 71 T N -1.977 112.503 114.554 -0.123 0.000 3.065 71 T HA 0.055 4.406 4.350 0.001 0.000 0.252 71 T C 1.058 175.737 174.700 -0.034 0.000 1.099 71 T CA -0.032 62.026 62.100 -0.070 0.000 1.063 71 T CB 0.034 68.856 68.868 -0.077 0.000 0.948 71 T HN 0.199 nan 8.240 nan 0.000 0.506 72 V N 1.757 121.654 119.914 -0.029 0.000 3.061 72 V HA 0.078 4.198 4.120 0.001 0.000 0.306 72 V C 1.516 177.613 176.094 0.004 0.000 1.118 72 V CA 0.601 62.905 62.300 0.006 0.000 1.231 72 V CB 1.174 33.017 31.823 0.032 0.000 0.956 72 V HN 0.629 nan 8.190 nan 0.000 0.499 73 E N 3.569 123.775 120.200 0.011 0.000 2.127 73 E HA 0.126 4.477 4.350 0.001 0.000 0.191 73 E C 1.096 177.707 176.600 0.019 0.000 0.964 73 E CA 0.078 56.487 56.400 0.016 0.000 0.832 73 E CB 0.270 29.978 29.700 0.014 0.000 0.790 73 E HN 0.627 nan 8.360 nan 0.000 0.465 74 R N 0.755 121.262 120.500 0.012 0.000 2.561 74 R HA 0.413 4.753 4.340 0.001 0.000 0.297 74 R C -1.457 174.835 176.300 -0.014 0.000 0.969 74 R CA -0.468 55.636 56.100 0.007 0.000 0.879 74 R CB 1.123 31.426 30.300 0.005 0.000 1.178 74 R HN 0.033 nan 8.270 nan 0.000 0.445 75 I N 6.249 126.806 120.570 -0.022 0.000 2.390 75 I HA 0.314 4.485 4.170 0.001 0.000 0.283 75 I C -1.989 174.084 176.117 -0.073 0.000 1.016 75 I CA -2.324 58.938 61.300 -0.063 0.000 1.151 75 I CB 2.312 40.273 38.000 -0.065 0.000 1.293 75 I HN 0.394 nan 8.210 nan 0.000 0.458 76 P HA 0.183 nan 4.420 nan 0.000 0.226 76 P C 0.224 177.453 177.300 -0.117 0.000 1.758 76 P CA 0.011 63.053 63.100 -0.097 0.000 0.896 76 P CB -0.160 31.482 31.700 -0.096 0.000 1.784 77 L N 1.107 122.256 121.223 -0.124 0.000 2.650 77 L HA 0.030 4.370 4.340 0.001 0.000 0.239 77 L C 1.575 178.351 176.870 -0.156 0.000 1.412 77 L CA 0.199 54.957 54.840 -0.136 0.000 1.219 77 L CB -0.657 41.321 42.059 -0.135 0.000 1.534 77 L HN 0.271 nan 8.230 nan 0.000 0.430 78 E N -1.098 119.021 120.200 -0.134 0.000 2.122 78 E HA -0.114 4.237 4.350 0.001 0.000 0.190 78 E C 0.822 177.339 176.600 -0.138 0.000 0.977 78 E CA 0.530 56.841 56.400 -0.148 0.000 0.820 78 E CB 0.005 29.644 29.700 -0.102 0.000 0.770 78 E HN 0.409 nan 8.360 nan 0.000 0.462 79 N N 0.895 119.536 118.700 -0.098 0.000 2.449 79 N HA 0.064 4.805 4.740 0.001 0.000 0.191 79 N C -0.314 175.151 175.510 -0.075 0.000 1.161 79 N CA 0.020 53.025 53.050 -0.074 0.000 0.863 79 N CB 0.083 38.543 38.487 -0.044 0.000 0.980 79 N HN 0.124 nan 8.380 nan 0.000 0.458 80 L N 1.216 122.378 121.223 -0.102 0.000 2.433 80 L HA 0.049 4.389 4.340 0.001 0.000 0.275 80 L C 1.150 177.965 176.870 -0.092 0.000 1.128 80 L CA 0.555 55.342 54.840 -0.089 0.000 0.875 80 L CB 0.580 42.575 42.059 -0.107 0.000 1.171 80 L HN 0.089 nan 8.230 nan 0.000 0.463 81 Q N 4.360 124.130 119.800 -0.050 0.000 2.304 81 Q HA 0.337 4.677 4.340 0.001 0.000 0.204 81 Q C -0.021 175.973 176.000 -0.011 0.000 0.936 81 Q CA 0.575 56.357 55.803 -0.036 0.000 0.878 81 Q CB 0.808 29.535 28.738 -0.017 0.000 0.983 81 Q HN 0.708 nan 8.270 nan 0.000 0.516 82 I N -0.012 120.562 120.570 0.006 0.000 2.752 82 I HA 0.355 4.526 4.170 0.001 0.000 0.295 82 I C -1.774 174.371 176.117 0.046 0.000 1.219 82 I CA -0.969 60.351 61.300 0.033 0.000 1.030 82 I CB 2.075 40.096 38.000 0.036 0.000 1.259 82 I HN -0.033 nan 8.210 nan 0.000 0.423 83 I N 7.408 128.022 120.570 0.074 0.000 2.382 83 I HA 0.394 4.564 4.170 0.001 0.000 0.285 83 I C 1.078 177.260 176.117 0.109 0.000 1.007 83 I CA -0.802 60.552 61.300 0.091 0.000 1.142 83 I CB 1.443 39.515 38.000 0.119 0.000 1.289 83 I HN 0.640 nan 8.210 nan 0.000 0.453 84 R N 4.165 124.728 120.500 0.105 0.000 2.080 84 R HA -0.074 4.267 4.340 0.001 0.000 0.236 84 R C 1.370 177.810 176.300 0.234 0.000 1.137 84 R CA 1.393 57.579 56.100 0.145 0.000 0.943 84 R CB -0.379 29.980 30.300 0.098 0.000 0.846 84 R HN 1.009 nan 8.270 nan 0.000 0.431 85 G N 0.865 109.785 108.800 0.200 0.000 2.140 85 G HA2 -0.212 3.748 3.960 0.001 0.000 0.211 85 G HA3 -0.212 3.748 3.960 0.001 0.000 0.211 85 G C 0.343 175.325 174.900 0.136 0.000 1.013 85 G CA 0.398 45.663 45.100 0.276 0.000 0.705 85 G HN 0.241 nan 8.290 nan 0.000 0.508 86 N N -0.283 118.435 118.700 0.031 0.000 2.272 86 N HA -0.004 4.736 4.740 0.001 0.000 0.185 86 N C 1.189 176.590 175.510 -0.182 0.000 1.014 86 N CA 1.435 54.424 53.050 -0.101 0.000 0.870 86 N CB -0.073 38.371 38.487 -0.071 0.000 0.975 86 N HN 0.662 nan 8.380 nan 0.000 0.433 87 M N -1.076 118.477 119.600 -0.079 0.000 2.619 87 M HA 0.335 4.815 4.480 0.001 0.000 0.297 87 M C -1.262 175.150 176.300 0.186 0.000 1.229 87 M CA -0.621 54.641 55.300 -0.064 0.000 0.860 87 M CB 2.541 35.215 32.600 0.123 0.000 1.741 87 M HN -0.128 nan 8.290 nan 0.000 0.462 88 Y N -0.344 120.060 120.300 0.175 0.000 2.446 88 Y HA 0.424 4.974 4.550 0.001 0.000 0.338 88 Y C -0.900 174.889 175.900 -0.185 0.000 1.055 88 Y CA -1.165 56.959 58.100 0.041 0.000 1.101 88 Y CB 1.574 39.999 38.460 -0.058 0.000 1.221 88 Y HN 0.508 nan 8.280 nan 0.000 0.460 89 Y N 3.148 123.193 120.300 -0.425 0.000 2.365 89 Y HA 0.165 4.716 4.550 0.001 0.000 0.340 89 Y C 0.336 176.145 175.900 -0.151 0.000 1.016 89 Y CA -0.672 57.064 58.100 -0.606 0.000 1.196 89 Y CB 0.432 38.413 38.460 -0.800 0.000 1.167 89 Y HN 0.754 nan 8.280 nan 0.000 0.509 90 E N 3.726 123.546 120.200 -0.633 0.000 3.070 90 E HA -0.346 4.004 4.350 0.001 0.000 0.285 90 E C -0.345 176.140 176.600 -0.191 0.000 0.972 90 E CA 1.086 57.240 56.400 -0.411 0.000 0.915 90 E CB -1.731 27.755 29.700 -0.357 0.000 1.466 90 E HN 0.946 nan 8.360 nan 0.000 0.432 91 N N -1.684 116.961 118.700 -0.093 0.000 2.754 91 N HA -0.208 4.533 4.740 0.001 0.000 0.248 91 N C 0.178 175.649 175.510 -0.064 0.000 1.093 91 N CA 1.401 54.468 53.050 0.029 0.000 0.699 91 N CB -1.525 36.960 38.487 -0.004 0.000 1.016 91 N HN 0.371 nan 8.380 nan 0.000 0.552 92 S N -2.214 113.314 115.700 -0.286 0.000 2.462 92 S HA 0.136 4.607 4.470 0.001 0.000 0.269 92 S C -0.369 173.665 174.600 -0.943 0.000 1.005 92 S CA -0.226 57.543 58.200 -0.717 0.000 1.260 92 S CB 0.630 63.213 63.200 -1.028 0.000 0.990 92 S HN 0.339 nan 8.310 nan 0.000 0.477 93 Y N 0.581 120.750 120.300 -0.219 0.000 2.485 93 Y HA 0.770 5.320 4.550 0.001 0.000 0.345 93 Y C 0.797 176.648 175.900 -0.081 0.000 0.998 93 Y CA -0.703 57.285 58.100 -0.187 0.000 1.059 93 Y CB 1.421 39.831 38.460 -0.084 0.000 1.234 93 Y HN 0.110 nan 8.280 nan 0.000 0.461 94 A N 1.797 124.675 122.820 0.097 0.000 2.303 94 A HA 0.348 4.669 4.320 0.001 0.000 0.217 94 A C -0.470 177.239 177.584 0.210 0.000 1.205 94 A CA 0.291 52.460 52.037 0.219 0.000 0.875 94 A CB 0.328 19.424 19.000 0.160 0.000 0.910 94 A HN 0.507 nan 8.150 nan 0.000 0.501 95 L N -0.546 120.754 121.223 0.127 0.000 2.541 95 L HA 0.727 5.067 4.340 0.001 0.000 0.266 95 L C -0.892 175.897 176.870 -0.135 0.000 0.966 95 L CA -0.421 54.444 54.840 0.042 0.000 0.871 95 L CB 1.428 43.553 42.059 0.110 0.000 1.232 95 L HN 0.132 nan 8.230 nan 0.000 0.408 96 A N 5.049 127.723 122.820 -0.244 0.000 2.363 96 A HA 0.739 5.060 4.320 0.001 0.000 0.296 96 A C -1.247 176.023 177.584 -0.522 0.000 1.237 96 A CA -0.476 51.304 52.037 -0.428 0.000 0.773 96 A CB 1.234 19.994 19.000 -0.400 0.000 1.153 96 A HN 0.452 nan 8.150 nan 0.000 0.473 97 V N 4.976 124.442 119.914 -0.746 0.000 2.277 97 V HA 0.357 4.478 4.120 0.001 0.000 0.269 97 V C -0.231 175.565 176.094 -0.495 0.000 1.036 97 V CA 0.045 61.930 62.300 -0.690 0.000 0.821 97 V CB 0.159 31.338 31.823 -1.073 0.000 1.052 97 V HN 0.752 nan 8.190 nan 0.000 0.462 98 L N 2.535 123.545 121.223 -0.356 0.000 2.333 98 L HA 0.525 4.866 4.340 0.001 0.000 0.269 98 L C 0.840 177.567 176.870 -0.238 0.000 1.010 98 L CA -0.902 53.783 54.840 -0.259 0.000 0.818 98 L CB 1.898 43.822 42.059 -0.225 0.000 1.306 98 L HN 0.527 nan 8.230 nan 0.000 0.430 99 S N 2.016 117.601 115.700 -0.192 0.000 3.298 99 S HA -0.183 4.288 4.470 0.001 0.000 0.273 99 S C 0.206 174.507 174.600 -0.500 0.000 0.804 99 S CA 0.344 58.336 58.200 -0.347 0.000 1.369 99 S CB -1.200 61.768 63.200 -0.387 0.000 0.993 99 S HN 0.598 nan 8.310 nan 0.000 0.449 100 N N 2.047 120.572 118.700 -0.291 0.000 3.025 100 N HA 0.300 5.040 4.740 0.001 0.000 0.315 100 N C -0.595 174.856 175.510 -0.099 0.000 1.511 100 N CA -0.131 52.787 53.050 -0.220 0.000 1.097 100 N CB 0.319 38.740 38.487 -0.109 0.000 1.395 100 N HN 0.691 nan 8.380 nan 0.000 0.511 101 Y N -2.156 118.126 120.300 -0.030 0.000 2.536 101 Y HA 0.627 5.177 4.550 0.001 0.000 0.347 101 Y C 0.020 175.912 175.900 -0.014 0.000 1.000 101 Y CA -1.638 56.454 58.100 -0.013 0.000 1.051 101 Y CB 0.729 39.183 38.460 -0.010 0.000 1.259 101 Y HN -0.170 nan 8.280 nan 0.000 0.468 102 D N 0.640 121.181 120.400 0.235 0.000 2.411 102 D HA 0.408 5.048 4.640 0.001 0.000 0.251 102 D C 1.118 177.542 176.300 0.206 0.000 1.201 102 D CA 0.344 54.436 54.000 0.155 0.000 0.996 102 D CB 1.818 42.671 40.800 0.087 0.000 1.101 102 D HN 0.813 nan 8.370 nan 0.000 0.504 103 A N 1.293 124.194 122.820 0.135 0.000 1.940 103 A HA -0.186 4.135 4.320 0.001 0.000 0.219 103 A C 1.418 179.037 177.584 0.060 0.000 1.176 103 A CA 1.215 53.316 52.037 0.107 0.000 0.631 103 A CB -0.430 18.619 19.000 0.083 0.000 0.814 103 A HN 0.569 nan 8.150 nan 0.000 0.446 104 N N 0.417 119.150 118.700 0.056 0.000 2.421 104 N HA 0.018 4.759 4.740 0.001 0.000 0.201 104 N C -0.453 175.075 175.510 0.030 0.000 1.198 104 N CA 0.343 53.415 53.050 0.036 0.000 0.838 104 N CB 0.098 38.608 38.487 0.038 0.000 1.011 104 N HN 0.266 nan 8.380 nan 0.000 0.463 105 K N -0.105 120.308 120.400 0.022 0.000 3.150 105 K HA -0.129 4.191 4.320 0.001 0.000 0.267 105 K C -0.509 176.132 176.600 0.069 0.000 1.028 105 K CA 0.751 57.032 56.287 -0.011 0.000 0.753 105 K CB -2.827 29.611 32.500 -0.103 0.000 1.288 105 K HN 0.502 nan 8.250 nan 0.000 0.473 106 T N -2.692 111.923 114.554 0.102 0.000 3.160 106 T HA 0.573 4.924 4.350 0.001 0.000 0.346 106 T C 0.589 175.341 174.700 0.088 0.000 1.027 106 T CA -0.177 61.977 62.100 0.091 0.000 1.287 106 T CB 1.599 70.506 68.868 0.064 0.000 0.997 106 T HN 0.275 nan 8.240 nan 0.000 0.518 107 G N 1.891 110.754 108.800 0.104 0.000 3.341 107 G HA2 0.605 4.566 3.960 0.001 0.000 0.177 107 G HA3 0.605 4.566 3.960 0.001 0.000 0.177 107 G C -0.290 174.640 174.900 0.051 0.000 1.236 107 G CA -1.003 44.135 45.100 0.064 0.000 0.888 107 G HN 0.751 nan 8.290 nan 0.000 0.644 108 L N 0.913 122.157 121.223 0.035 0.000 2.640 108 L HA 0.204 4.544 4.340 0.001 0.000 0.280 108 L C 1.495 178.410 176.870 0.076 0.000 1.229 108 L CA 0.895 55.761 54.840 0.042 0.000 0.919 108 L CB 0.579 42.657 42.059 0.031 0.000 1.168 108 L HN 0.677 nan 8.230 nan 0.000 0.496 109 K N 3.041 123.482 120.400 0.069 0.000 2.344 109 K HA 0.191 4.512 4.320 0.001 0.000 0.200 109 K C 0.011 176.661 176.600 0.084 0.000 1.132 109 K CA 0.013 56.346 56.287 0.075 0.000 0.935 109 K CB 0.313 32.846 32.500 0.054 0.000 1.089 109 K HN 0.747 nan 8.250 nan 0.000 0.496 110 E N 1.039 121.284 120.200 0.075 0.000 2.199 110 E HA 0.233 4.584 4.350 0.001 0.000 0.265 110 E C -1.839 174.818 176.600 0.096 0.000 0.882 110 E CA -0.586 55.863 56.400 0.083 0.000 0.759 110 E CB 1.525 31.258 29.700 0.055 0.000 1.148 110 E HN 0.073 nan 8.360 nan 0.000 0.412 111 L N 7.017 128.331 121.223 0.150 0.000 2.495 111 L HA 0.425 4.765 4.340 0.001 0.000 0.248 111 L C -2.490 174.470 176.870 0.151 0.000 1.229 111 L CA -2.034 52.901 54.840 0.159 0.000 0.942 111 L CB 1.327 43.548 42.059 0.271 0.000 1.242 111 L HN 0.405 nan 8.230 nan 0.000 0.484 112 P HA 0.141 nan 4.420 nan 0.000 0.235 112 P C -0.012 177.171 177.300 -0.196 0.000 1.720 112 P CA 0.478 63.580 63.100 0.004 0.000 1.003 112 P CB -0.354 31.339 31.700 -0.012 0.000 1.968 113 M N 1.353 120.687 119.600 -0.443 0.000 3.690 113 M HA 0.119 4.600 4.480 0.001 0.000 0.209 113 M C 1.512 176.938 176.300 -1.457 0.000 1.403 113 M CA -0.004 54.776 55.300 -0.867 0.000 1.621 113 M CB -0.014 32.012 32.600 -0.956 0.000 1.056 113 M HN 0.147 nan 8.290 nan 0.000 0.593 114 R N -0.800 119.243 120.500 -0.762 0.000 2.307 114 R HA 0.032 4.373 4.340 0.001 0.000 0.199 114 R C 0.372 176.488 176.300 -0.307 0.000 1.000 114 R CA 0.671 56.475 56.100 -0.494 0.000 1.023 114 R CB -0.086 30.145 30.300 -0.114 0.000 0.908 114 R HN 0.435 nan 8.270 nan 0.000 0.473 115 N N 0.698 119.196 118.700 -0.336 0.000 2.184 115 N HA 0.045 4.785 4.740 0.001 0.000 0.206 115 N C -0.354 175.052 175.510 -0.174 0.000 1.151 115 N CA -0.221 52.719 53.050 -0.183 0.000 0.878 115 N CB 0.590 39.001 38.487 -0.128 0.000 1.014 115 N HN 0.106 nan 8.380 nan 0.000 0.512 116 L N 2.401 123.447 121.223 -0.295 0.000 2.485 116 L HA 0.063 4.404 4.340 0.001 0.000 0.279 116 L C 0.923 177.757 176.870 -0.059 0.000 1.124 116 L CA 0.748 55.477 54.840 -0.186 0.000 0.888 116 L CB 0.271 42.162 42.059 -0.280 0.000 1.217 116 L HN 0.049 nan 8.230 nan 0.000 0.464 117 Q N 2.322 122.123 119.800 0.001 0.000 2.288 117 Q HA 0.228 4.569 4.340 0.001 0.000 0.256 117 Q C -0.222 175.819 176.000 0.068 0.000 0.835 117 Q CA -0.053 55.774 55.803 0.040 0.000 0.958 117 Q CB 1.172 29.925 28.738 0.026 0.000 1.125 117 Q HN 0.624 nan 8.270 nan 0.000 0.513 118 E N 1.036 121.278 120.200 0.070 0.000 2.234 118 E HA 0.439 4.790 4.350 0.001 0.000 0.266 118 E C -1.474 175.188 176.600 0.103 0.000 0.877 118 E CA -0.373 56.077 56.400 0.082 0.000 0.758 118 E CB 1.382 31.116 29.700 0.057 0.000 1.170 118 E HN 0.083 nan 8.360 nan 0.000 0.415 119 I N 7.127 127.768 120.570 0.119 0.000 2.623 119 I HA 0.131 4.302 4.170 0.001 0.000 0.275 119 I C 0.876 177.023 176.117 0.051 0.000 1.108 119 I CA -0.323 61.047 61.300 0.116 0.000 1.120 119 I CB 0.783 38.889 38.000 0.178 0.000 1.249 119 I HN 0.601 nan 8.210 nan 0.000 0.500 120 L N 3.464 124.687 121.223 0.001 0.000 1.997 120 L HA -0.173 4.167 4.340 0.001 0.000 0.216 120 L C 0.285 176.924 176.870 -0.386 0.000 1.074 120 L CA 1.758 56.483 54.840 -0.191 0.000 0.763 120 L CB -0.543 41.408 42.059 -0.181 0.000 0.890 120 L HN 0.614 nan 8.230 nan 0.000 0.434 121 H N -2.087 117.009 119.070 0.043 0.000 2.768 121 H HA 0.632 5.188 4.556 0.001 0.000 0.371 121 H C 0.151 175.172 175.328 -0.511 0.000 1.151 121 H CA -0.154 55.796 56.048 -0.163 0.000 1.165 121 H CB 1.717 31.563 29.762 0.141 0.000 1.722 121 H HN 0.221 nan 8.280 nan 0.000 0.543 122 G N -0.177 107.686 108.800 -1.562 0.000 2.661 122 G HA2 0.343 4.303 3.960 0.001 0.000 0.685 122 G HA3 0.343 4.303 3.960 0.001 0.000 0.685 122 G C -0.861 173.540 174.900 -0.832 0.000 1.298 122 G CA -0.399 43.858 45.100 -1.406 0.000 0.855 122 G HN 0.891 nan 8.290 nan 0.000 0.560 123 A N -1.252 121.310 122.820 -0.430 0.000 2.392 123 A HA 1.007 5.328 4.320 0.001 0.000 0.283 123 A C 0.006 177.669 177.584 0.131 0.000 1.197 123 A CA 0.035 52.049 52.037 -0.038 0.000 0.895 123 A CB 1.569 20.594 19.000 0.041 0.000 1.400 123 A HN 2.031 nan 8.150 nan 0.000 0.461 124 V N -0.301 119.684 119.914 0.118 0.000 2.815 124 V HA 0.800 4.920 4.120 0.001 0.000 0.314 124 V C -0.332 175.627 176.094 -0.224 0.000 1.064 124 V CA -0.661 61.594 62.300 -0.075 0.000 0.952 124 V CB 1.680 33.270 31.823 -0.389 0.000 1.020 124 V HN 0.963 nan 8.190 nan 0.000 0.439 125 R N 2.238 122.475 120.500 -0.438 0.000 2.510 125 R HA 0.601 4.942 4.340 0.001 0.000 0.294 125 R C -2.242 173.792 176.300 -0.445 0.000 1.056 125 R CA -0.208 55.513 56.100 -0.633 0.000 0.918 125 R CB 0.965 30.449 30.300 -1.361 0.000 1.187 125 R HN 0.489 nan 8.270 nan 0.000 0.437 126 F N 2.240 121.911 119.950 -0.464 0.000 2.482 126 F HA 0.728 5.255 4.527 0.001 0.000 0.331 126 F C -0.065 175.507 175.800 -0.379 0.000 1.115 126 F CA -0.287 57.475 58.000 -0.396 0.000 0.955 126 F CB 2.584 41.282 39.000 -0.504 0.000 1.136 126 F HN 0.521 nan 8.300 nan 0.000 0.452 127 S N 2.970 118.587 115.700 -0.138 0.000 2.542 127 S HA 0.391 4.862 4.470 0.001 0.000 0.276 127 S C -1.258 173.329 174.600 -0.022 0.000 1.148 127 S CA -0.855 57.285 58.200 -0.101 0.000 0.886 127 S CB 0.658 63.787 63.200 -0.117 0.000 1.109 127 S HN 0.681 nan 8.310 nan 0.000 0.458 128 N N 2.614 121.340 118.700 0.043 0.000 2.714 128 N HA -0.132 4.609 4.740 0.001 0.000 0.253 128 N C -1.364 174.277 175.510 0.219 0.000 1.024 128 N CA 0.860 54.009 53.050 0.166 0.000 0.726 128 N CB -1.505 37.144 38.487 0.270 0.000 0.908 128 N HN 0.621 nan 8.380 nan 0.000 0.542 129 N N -0.111 118.695 118.700 0.176 0.000 2.841 129 N HA 0.220 4.960 4.740 0.001 0.000 0.257 129 N C -1.816 173.815 175.510 0.201 0.000 1.396 129 N CA -0.965 52.203 53.050 0.196 0.000 0.823 129 N CB 1.538 40.154 38.487 0.216 0.000 1.162 129 N HN 0.072 nan 8.380 nan 0.000 0.503 130 P HA -0.052 nan 4.420 nan 0.000 0.217 130 P C 1.023 178.412 177.300 0.149 0.000 1.150 130 P CA 0.960 64.147 63.100 0.145 0.000 0.832 130 P CB 0.499 32.256 31.700 0.095 0.000 0.787 131 A N -1.455 121.451 122.820 0.142 0.000 2.238 131 A HA 0.100 4.421 4.320 0.001 0.000 0.210 131 A C 0.830 178.483 177.584 0.116 0.000 1.179 131 A CA -0.167 51.939 52.037 0.115 0.000 0.827 131 A CB -0.976 18.082 19.000 0.098 0.000 0.856 131 A HN 0.120 nan 8.150 nan 0.000 0.488 132 L N 0.948 122.264 121.223 0.155 0.000 2.513 132 L HA 0.173 4.513 4.340 0.001 0.000 0.272 132 L C -0.372 176.567 176.870 0.115 0.000 1.187 132 L CA 0.116 55.062 54.840 0.176 0.000 0.895 132 L CB -0.203 42.032 42.059 0.293 0.000 1.147 132 L HN 0.348 nan 8.230 nan 0.000 0.483 133 c N 5.149 123.794 118.600 0.075 0.000 2.456 133 c HA 0.493 5.063 4.570 0.001 0.000 0.325 133 c C 1.148 175.215 174.090 -0.037 0.000 1.217 133 c CA -0.253 56.083 56.329 0.012 0.000 1.687 133 c CB 0.791 43.312 42.510 0.018 0.000 2.270 133 c HN 1.087 nan 8.230 nan 0.000 0.499 134 N N -0.094 118.534 118.700 -0.119 0.000 2.319 134 N HA -0.239 4.501 4.740 0.001 0.000 0.215 134 N C 0.812 176.116 175.510 -0.343 0.000 1.091 134 N CA 1.288 54.228 53.050 -0.184 0.000 2.762 134 N CB -1.174 37.255 38.487 -0.097 0.000 0.823 134 N HN 0.509 nan 8.380 nan 0.000 0.453 135 V N 2.439 122.164 119.914 -0.314 0.000 2.546 135 V HA -0.258 3.862 4.120 0.001 0.000 0.254 135 V C 2.272 177.815 176.094 -0.918 0.000 1.076 135 V CA 2.444 64.451 62.300 -0.487 0.000 1.087 135 V CB -0.791 30.955 31.823 -0.128 0.000 0.674 135 V HN 0.524 nan 8.190 nan 0.000 0.470 136 E N 1.372 120.883 120.200 -1.149 0.000 2.472 136 E HA -0.146 4.204 4.350 0.001 0.000 0.200 136 E C 1.708 177.892 176.600 -0.693 0.000 1.046 136 E CA 1.201 56.688 56.400 -1.523 0.000 0.871 136 E CB -0.271 28.858 29.700 -0.951 0.000 0.806 136 E HN 0.720 nan 8.360 nan 0.000 0.533 137 S N 0.024 115.394 115.700 -0.550 0.000 2.568 137 S HA 0.225 4.696 4.470 0.001 0.000 0.232 137 S C 0.249 174.589 174.600 -0.433 0.000 0.975 137 S CA -0.669 57.302 58.200 -0.381 0.000 0.949 137 S CB -0.142 62.874 63.200 -0.306 0.000 0.829 137 S HN 0.008 nan 8.310 nan 0.000 0.479 138 I N 2.912 123.133 120.570 -0.582 0.000 2.352 138 I HA 0.211 4.381 4.170 0.001 0.000 0.290 138 I C 0.446 176.280 176.117 -0.472 0.000 1.036 138 I CA -0.075 60.757 61.300 -0.781 0.000 1.336 138 I CB 1.076 38.173 38.000 -1.504 0.000 1.407 138 I HN 0.277 nan 8.210 nan 0.000 0.497 139 Q N 5.765 125.358 119.800 -0.346 0.000 2.641 139 Q HA -0.027 4.313 4.340 0.001 0.000 0.225 139 Q C 0.099 176.044 176.000 -0.093 0.000 1.309 139 Q CA 0.102 55.823 55.803 -0.136 0.000 0.935 139 Q CB -0.000 28.678 28.738 -0.099 0.000 1.557 139 Q HN 0.664 nan 8.270 nan 0.000 0.563 140 W N 0.844 122.121 121.300 -0.039 0.000 2.424 140 W HA -0.156 4.505 4.660 0.001 0.000 0.264 140 W C 2.123 178.673 176.519 0.052 0.000 1.229 140 W CA 0.455 57.817 57.345 0.029 0.000 1.208 140 W CB -0.035 29.457 29.460 0.054 0.000 1.127 140 W HN 0.522 nan 8.180 nan 0.000 0.588 141 R N 0.824 121.451 120.500 0.212 0.000 2.211 141 R HA -0.217 4.124 4.340 0.001 0.000 0.240 141 R C 1.899 178.268 176.300 0.115 0.000 1.144 141 R CA 2.043 58.230 56.100 0.146 0.000 0.992 141 R CB -0.541 29.814 30.300 0.092 0.000 0.869 141 R HN 0.161 nan 8.270 nan 0.000 0.462 142 D N -0.134 120.318 120.400 0.087 0.000 2.201 142 D HA -0.051 4.590 4.640 0.001 0.000 0.209 142 D C 1.841 178.197 176.300 0.094 0.000 0.961 142 D CA 0.873 54.910 54.000 0.063 0.000 0.861 142 D CB 0.164 40.975 40.800 0.018 0.000 0.997 142 D HN 0.343 nan 8.370 nan 0.000 0.486 143 I N 0.759 121.406 120.570 0.128 0.000 2.406 143 I HA -0.075 4.095 4.170 0.001 0.000 0.249 143 I C 0.907 177.169 176.117 0.242 0.000 1.122 143 I CA 0.280 61.687 61.300 0.180 0.000 1.431 143 I CB 0.152 38.275 38.000 0.204 0.000 1.087 143 I HN -0.202 nan 8.210 nan 0.000 0.424 144 V N 0.356 120.447 119.914 0.296 0.000 2.716 144 V HA 0.198 4.318 4.120 0.001 0.000 0.304 144 V C 0.433 176.653 176.094 0.210 0.000 1.053 144 V CA -0.681 61.782 62.300 0.271 0.000 0.984 144 V CB 1.622 33.629 31.823 0.307 0.000 1.021 144 V HN 0.214 nan 8.190 nan 0.000 0.467 145 S N 1.573 117.410 115.700 0.229 0.000 2.585 145 S HA 0.095 4.565 4.470 0.001 0.000 0.273 145 S C 1.463 176.171 174.600 0.180 0.000 1.339 145 S CA 0.074 58.398 58.200 0.207 0.000 1.028 145 S CB 1.052 64.421 63.200 0.281 0.000 0.906 145 S HN 1.076 nan 8.310 nan 0.000 0.528 146 S N 2.319 118.073 115.700 0.090 0.000 2.453 146 S HA -0.054 4.416 4.470 0.001 0.000 0.231 146 S C 0.931 175.517 174.600 -0.023 0.000 1.005 146 S CA 0.814 59.042 58.200 0.046 0.000 0.949 146 S CB -0.437 62.777 63.200 0.024 0.000 0.774 146 S HN 0.772 nan 8.310 nan 0.000 0.510 147 D N 1.104 121.432 120.400 -0.120 0.000 2.219 147 D HA 0.044 4.685 4.640 0.001 0.000 0.205 147 D C 0.802 176.807 176.300 -0.492 0.000 0.970 147 D CA 0.888 54.669 54.000 -0.365 0.000 0.851 147 D CB -0.304 40.145 40.800 -0.586 0.000 0.943 147 D HN 0.599 nan 8.370 nan 0.000 0.488 148 F N -0.370 119.584 119.950 0.007 0.000 2.678 148 F HA 0.275 4.802 4.527 0.001 0.000 0.305 148 F C 1.895 177.692 175.800 -0.005 0.000 1.090 148 F CA -0.350 57.638 58.000 -0.020 0.000 1.272 148 F CB 0.023 38.998 39.000 -0.042 0.000 1.060 148 F HN -0.152 nan 8.300 nan 0.000 0.576 149 L N 0.350 121.660 121.223 0.144 0.000 2.129 149 L HA -0.264 4.077 4.340 0.001 0.000 0.212 149 L C 2.548 179.463 176.870 0.074 0.000 1.087 149 L CA 1.836 56.743 54.840 0.111 0.000 0.757 149 L CB -0.294 41.818 42.059 0.088 0.000 0.896 149 L HN 0.284 nan 8.230 nan 0.000 0.434 150 S N -1.057 114.670 115.700 0.046 0.000 2.383 150 S HA -0.129 4.342 4.470 0.001 0.000 0.227 150 S C 1.615 176.236 174.600 0.035 0.000 1.026 150 S CA 1.150 59.366 58.200 0.027 0.000 0.981 150 S CB -0.560 62.639 63.200 -0.000 0.000 0.818 150 S HN 0.455 nan 8.310 nan 0.000 0.472 151 N N 0.920 119.646 118.700 0.045 0.000 2.461 151 N HA 0.266 5.007 4.740 0.001 0.000 0.188 151 N C -0.127 175.434 175.510 0.084 0.000 1.134 151 N CA 0.229 53.294 53.050 0.025 0.000 0.878 151 N CB -0.355 38.115 38.487 -0.027 0.000 0.972 151 N HN 0.533 nan 8.380 nan 0.000 0.456 152 M N 0.733 120.397 119.600 0.107 0.000 2.188 152 M HA 0.086 4.567 4.480 0.001 0.000 0.354 152 M C -0.116 176.237 176.300 0.088 0.000 1.342 152 M CA 0.102 55.480 55.300 0.129 0.000 1.117 152 M CB 0.643 33.278 32.600 0.058 0.000 1.670 152 M HN -0.007 nan 8.290 nan 0.000 0.466 153 S N 6.303 122.057 115.700 0.091 0.000 2.605 153 S HA 0.866 5.337 4.470 0.001 0.000 0.308 153 S C -0.684 173.833 174.600 -0.138 0.000 1.113 153 S CA -0.989 57.206 58.200 -0.009 0.000 1.049 153 S CB 1.325 64.552 63.200 0.044 0.000 1.001 153 S HN 0.806 nan 8.310 nan 0.000 0.480 154 M N 0.957 120.459 119.600 -0.164 0.000 2.346 154 M HA 0.589 5.069 4.480 0.001 0.000 0.287 154 M C -2.652 173.443 176.300 -0.341 0.000 1.100 154 M CA -0.652 54.473 55.300 -0.292 0.000 0.950 154 M CB 2.178 34.565 32.600 -0.355 0.000 1.815 154 M HN 0.574 nan 8.290 nan 0.000 0.497 155 D N 2.608 122.749 120.400 -0.432 0.000 2.934 155 D HA 0.693 5.333 4.640 0.001 0.000 0.230 155 D C -1.591 174.462 176.300 -0.412 0.000 1.204 155 D CA -0.202 53.605 54.000 -0.323 0.000 0.873 155 D CB 1.262 41.994 40.800 -0.113 0.000 1.645 155 D HN 0.503 nan 8.370 nan 0.000 0.502 156 F N -0.012 119.947 119.950 0.016 0.000 2.509 156 F HA 0.638 5.166 4.527 0.001 0.000 0.334 156 F C 0.648 176.469 175.800 0.034 0.000 1.060 156 F CA -0.638 57.381 58.000 0.032 0.000 0.997 156 F CB 1.288 40.290 39.000 0.004 0.000 1.271 156 F HN 0.028 nan 8.300 nan 0.000 0.488 157 Q N 0.443 120.396 119.800 0.256 0.000 2.418 157 Q HA 0.241 4.582 4.340 0.001 0.000 0.282 157 Q C -1.538 174.553 176.000 0.152 0.000 1.044 157 Q CA -0.766 55.136 55.803 0.164 0.000 0.813 157 Q CB 2.271 31.084 28.738 0.124 0.000 1.428 157 Q HN 0.576 nan 8.270 nan 0.000 0.402 158 N N 0.617 119.387 118.700 0.117 0.000 2.735 158 N HA 0.052 4.792 4.740 0.001 0.000 0.312 158 N C -0.283 175.276 175.510 0.082 0.000 1.843 158 N CA 0.124 53.225 53.050 0.086 0.000 0.945 158 N CB 0.081 38.592 38.487 0.039 0.000 1.299 158 N HN 0.491 nan 8.380 nan 0.000 0.489 159 H N 0.389 119.477 119.070 0.029 0.000 2.566 159 H HA 0.109 4.666 4.556 0.001 0.000 0.280 159 H C 0.683 176.019 175.328 0.014 0.000 1.042 159 H CA 0.262 56.318 56.048 0.014 0.000 1.168 159 H CB 0.585 30.348 29.762 0.003 0.000 1.340 159 H HN 0.378 nan 8.280 nan 0.000 0.597 160 L N -1.260 119.993 121.223 0.051 0.000 2.515 160 L HA 0.266 4.607 4.340 0.001 0.000 0.202 160 L C 1.972 178.833 176.870 -0.014 0.000 1.056 160 L CA 1.566 56.426 54.840 0.033 0.000 0.847 160 L CB -0.019 42.075 42.059 0.059 0.000 1.131 160 L HN 0.386 nan 8.230 nan 0.000 0.484 161 G N -0.814 107.977 108.800 -0.015 0.000 2.304 161 G HA2 -0.362 3.598 3.960 0.001 0.000 0.252 161 G HA3 -0.362 3.598 3.960 0.001 0.000 0.252 161 G C 1.035 175.927 174.900 -0.014 0.000 1.014 161 G CA 0.856 45.940 45.100 -0.026 0.000 0.619 161 G HN 0.736 nan 8.290 nan 0.000 0.525 162 S N -0.421 115.277 115.700 -0.004 0.000 2.743 162 S HA 0.435 4.905 4.470 0.001 0.000 0.230 162 S C 0.853 175.453 174.600 0.001 0.000 0.950 162 S CA 0.342 58.541 58.200 -0.001 0.000 0.976 162 S CB -0.528 62.675 63.200 0.005 0.000 0.779 162 S HN 0.700 nan 8.310 nan 0.000 0.487 163 c N 2.655 121.254 118.600 -0.001 0.000 2.536 163 c HA 0.409 4.979 4.570 0.001 0.000 0.396 163 c C 1.039 175.121 174.090 -0.013 0.000 1.279 163 c CA -0.769 55.558 56.329 -0.004 0.000 2.148 163 c CB 0.209 42.714 42.510 -0.008 0.000 2.584 163 c HN 0.623 nan 8.230 nan 0.000 0.579 164 Q N 1.094 120.886 119.800 -0.014 0.000 2.189 164 Q HA 0.386 4.727 4.340 0.001 0.000 0.193 164 Q C -0.277 175.705 176.000 -0.029 0.000 1.034 164 Q CA -0.558 55.235 55.803 -0.018 0.000 1.062 164 Q CB 0.962 29.693 28.738 -0.012 0.000 1.118 164 Q HN 0.605 nan 8.270 nan 0.000 0.569 165 K N -0.258 120.125 120.400 -0.029 0.000 2.166 165 K HA 0.360 4.681 4.320 0.001 0.000 0.245 165 K C -1.227 175.349 176.600 -0.040 0.000 0.967 165 K CA -0.637 55.628 56.287 -0.038 0.000 0.863 165 K CB 1.197 33.677 32.500 -0.033 0.000 1.107 165 K HN 0.596 nan 8.250 nan 0.000 0.436 166 c N 2.318 120.887 118.600 -0.052 0.000 2.514 166 c HA 0.101 4.672 4.570 0.001 0.000 0.392 166 c C 0.193 174.259 174.090 -0.041 0.000 1.294 166 c CA -0.839 55.458 56.329 -0.054 0.000 1.957 166 c CB -0.124 42.339 42.510 -0.078 0.000 2.541 166 c HN 0.750 nan 8.230 nan 0.000 0.569 167 D N 3.909 124.291 120.400 -0.031 0.000 2.583 167 D HA -0.036 4.605 4.640 0.001 0.000 0.232 167 D C -1.269 175.014 176.300 -0.028 0.000 1.128 167 D CA -0.710 53.276 54.000 -0.024 0.000 0.859 167 D CB 0.883 41.672 40.800 -0.017 0.000 1.169 167 D HN 0.284 nan 8.370 nan 0.000 0.481 168 P HA -0.196 nan 4.420 nan 0.000 0.216 168 P C 1.370 178.655 177.300 -0.025 0.000 1.154 168 P CA 1.811 64.895 63.100 -0.026 0.000 0.865 168 P CB -0.059 31.629 31.700 -0.020 0.000 0.789 169 S N -2.223 113.465 115.700 -0.021 0.000 2.500 169 S HA -0.122 4.348 4.470 0.001 0.000 0.239 169 S C 0.853 175.438 174.600 -0.024 0.000 0.989 169 S CA 0.373 58.561 58.200 -0.019 0.000 0.951 169 S CB -1.723 61.468 63.200 -0.014 0.000 0.759 169 S HN 0.083 nan 8.310 nan 0.000 0.523 170 c N 4.359 122.940 118.600 -0.031 0.000 2.651 170 c HA 0.356 4.927 4.570 0.001 0.000 0.410 170 c C -2.129 171.931 174.090 -0.050 0.000 1.372 170 c CA -1.481 54.823 56.329 -0.043 0.000 1.707 170 c CB -0.412 42.064 42.510 -0.057 0.000 2.501 170 c HN 0.362 nan 8.230 nan 0.000 0.598 171 P HA 0.054 nan 4.420 nan 0.000 0.262 171 P C 0.211 177.471 177.300 -0.066 0.000 1.199 171 P CA 0.867 63.937 63.100 -0.050 0.000 0.763 171 P CB 0.169 31.841 31.700 -0.046 0.000 0.790 172 N N 3.174 121.840 118.700 -0.056 0.000 2.708 172 N HA -0.202 4.538 4.740 0.001 0.000 0.249 172 N C 0.935 176.398 175.510 -0.079 0.000 1.097 172 N CA 1.792 54.805 53.050 -0.061 0.000 0.710 172 N CB -1.878 36.572 38.487 -0.062 0.000 1.032 172 N HN 0.840 nan 8.380 nan 0.000 0.551 173 G N -1.765 106.988 108.800 -0.078 0.000 2.225 173 G HA2 -0.329 3.631 3.960 0.001 0.000 0.267 173 G HA3 -0.329 3.631 3.960 0.001 0.000 0.267 173 G C -0.055 174.767 174.900 -0.130 0.000 1.024 173 G CA 0.604 45.650 45.100 -0.090 0.000 0.784 173 G HN 0.538 nan 8.290 nan 0.000 0.507 174 S N -0.160 115.450 115.700 -0.149 0.000 2.452 174 S HA 0.648 5.118 4.470 0.001 0.000 0.284 174 S C 0.428 174.888 174.600 -0.234 0.000 1.171 174 S CA 0.109 58.171 58.200 -0.230 0.000 1.064 174 S CB 1.370 64.423 63.200 -0.245 0.000 0.967 174 S HN 1.539 nan 8.310 nan 0.000 0.484 175 c N 1.706 120.124 118.600 -0.304 0.000 3.171 175 c HA 0.604 5.174 4.570 0.001 0.000 0.336 175 c C 0.192 174.107 174.090 -0.293 0.000 1.198 175 c CA -1.192 55.005 56.329 -0.220 0.000 1.319 175 c CB -0.337 42.113 42.510 -0.099 0.000 1.682 175 c HN 0.953 nan 8.230 nan 0.000 0.497 176 W N 2.417 123.646 121.300 -0.118 0.000 2.576 176 W HA 0.466 5.127 4.660 0.001 0.000 0.270 176 W C 1.380 177.859 176.519 -0.067 0.000 1.255 176 W CA 1.533 58.817 57.345 -0.102 0.000 1.314 176 W CB 0.194 29.601 29.460 -0.088 0.000 1.101 176 W HN 1.250 nan 8.180 nan 0.000 0.595 177 G N -1.447 107.436 108.800 0.138 0.000 2.570 177 G HA2 0.531 4.492 3.960 0.001 0.000 0.310 177 G HA3 0.531 4.492 3.960 0.001 0.000 0.310 177 G C -1.188 173.732 174.900 0.034 0.000 1.266 177 G CA -0.402 44.744 45.100 0.075 0.000 0.825 177 G HN 0.090 nan 8.290 nan 0.000 0.483 178 A N -1.474 121.361 122.820 0.024 0.000 2.262 178 A HA 0.822 5.142 4.320 0.001 0.000 0.273 178 A C 1.280 178.871 177.584 0.012 0.000 1.202 178 A CA 1.266 53.309 52.037 0.010 0.000 0.811 178 A CB -0.400 18.604 19.000 0.007 0.000 1.159 178 A HN 2.807 nan 8.150 nan 0.000 0.505 179 G N -1.212 107.591 108.800 0.004 0.000 2.846 179 G HA2 -0.181 3.780 3.960 0.001 0.000 0.660 179 G HA3 -0.181 3.780 3.960 0.001 0.000 0.660 179 G C 0.297 175.200 174.900 0.004 0.000 1.464 179 G CA 0.493 45.595 45.100 0.004 0.000 0.891 179 G HN 1.132 nan 8.290 nan 0.000 0.552 180 E N -0.126 120.075 120.200 0.002 0.000 2.435 180 E HA 0.004 4.354 4.350 0.001 0.000 0.195 180 E C 2.285 178.889 176.600 0.007 0.000 1.029 180 E CA 1.212 57.613 56.400 0.001 0.000 0.865 180 E CB -0.057 29.642 29.700 -0.002 0.000 0.833 180 E HN 0.731 nan 8.360 nan 0.000 0.510 181 E N -0.254 119.952 120.200 0.010 0.000 2.216 181 E HA -0.098 4.253 4.350 0.001 0.000 0.192 181 E C 0.923 177.539 176.600 0.026 0.000 0.988 181 E CA 0.505 56.911 56.400 0.011 0.000 0.834 181 E CB -0.078 29.625 29.700 0.004 0.000 0.772 181 E HN 0.070 nan 8.360 nan 0.000 0.479 182 N N 0.639 119.364 118.700 0.041 0.000 2.362 182 N HA 0.086 4.826 4.740 0.001 0.000 0.204 182 N C -0.825 174.760 175.510 0.125 0.000 1.166 182 N CA -0.052 53.052 53.050 0.091 0.000 0.831 182 N CB -0.113 38.431 38.487 0.094 0.000 1.008 182 N HN 0.152 nan 8.380 nan 0.000 0.472 183 c N 1.290 119.932 118.600 0.070 0.000 2.585 183 c HA 0.117 4.687 4.570 0.001 0.000 0.406 183 c C 1.196 175.337 174.090 0.085 0.000 1.312 183 c CA -0.950 55.404 56.329 0.041 0.000 1.924 183 c CB -0.415 42.100 42.510 0.007 0.000 2.578 183 c HN 0.424 nan 8.230 nan 0.000 0.580 184 Q N 3.138 122.962 119.800 0.040 0.000 2.255 184 Q HA 0.042 4.382 4.340 0.001 0.000 0.280 184 Q C -0.333 175.690 176.000 0.037 0.000 1.068 184 Q CA 0.705 56.551 55.803 0.072 0.000 0.911 184 Q CB 0.360 29.015 28.738 -0.138 0.000 1.157 184 Q HN 0.618 nan 8.270 nan 0.000 0.380 185 K N 4.885 125.325 120.400 0.066 0.000 2.273 185 K HA 0.220 4.540 4.320 0.001 0.000 0.287 185 K C -0.950 175.662 176.600 0.020 0.000 1.089 185 K CA -0.389 55.916 56.287 0.030 0.000 0.909 185 K CB 0.486 33.002 32.500 0.026 0.000 1.123 185 K HN 0.423 nan 8.250 nan 0.000 0.473 186 L N 2.760 123.985 121.223 0.004 0.000 2.305 186 L HA 0.209 4.549 4.340 0.001 0.000 0.281 186 L C 1.018 177.893 176.870 0.009 0.000 1.085 186 L CA 0.189 55.030 54.840 0.001 0.000 0.813 186 L CB 1.079 43.131 42.059 -0.011 0.000 1.157 186 L HN 0.725 nan 8.230 nan 0.000 0.436 187 T N -2.261 112.303 114.554 0.016 0.000 3.541 187 T HA 0.279 4.630 4.350 0.001 0.000 0.309 187 T C 0.533 175.247 174.700 0.023 0.000 0.973 187 T CA -0.376 61.736 62.100 0.019 0.000 0.993 187 T CB 0.242 69.123 68.868 0.022 0.000 1.206 187 T HN 0.509 nan 8.240 nan 0.000 0.489 188 K N 2.048 122.461 120.400 0.022 0.000 2.625 188 K HA 0.442 4.763 4.320 0.001 0.000 0.202 188 K C 1.493 178.106 176.600 0.022 0.000 1.412 188 K CA 0.406 56.709 56.287 0.027 0.000 0.989 188 K CB -0.292 32.231 32.500 0.038 0.000 1.682 188 K HN 0.303 nan 8.250 nan 0.000 0.496 189 I N -0.027 120.554 120.570 0.019 0.000 3.684 189 I HA 0.374 4.544 4.170 0.001 0.000 0.304 189 I C 0.045 176.167 176.117 0.008 0.000 1.278 189 I CA 0.217 61.526 61.300 0.015 0.000 1.272 189 I CB 0.028 38.037 38.000 0.014 0.000 1.029 189 I HN -0.033 nan 8.210 nan 0.000 0.458 190 I N 2.100 122.674 120.570 0.007 0.000 2.934 190 I HA 0.331 4.501 4.170 0.001 0.000 0.312 190 I C -0.782 175.338 176.117 0.005 0.000 1.342 190 I CA -0.272 61.030 61.300 0.003 0.000 0.946 190 I CB 0.296 38.296 38.000 -0.000 0.000 2.034 190 I HN 0.214 nan 8.210 nan 0.000 0.604 191 c N 1.465 120.069 118.600 0.006 0.000 2.898 191 c HA 0.784 5.354 4.570 0.001 0.000 0.304 191 c C 0.932 175.025 174.090 0.005 0.000 1.237 191 c CA -0.851 55.482 56.329 0.007 0.000 1.529 191 c CB 1.624 44.139 42.510 0.009 0.000 2.021 191 c HN 0.680 nan 8.230 nan 0.000 0.474 192 A N 0.804 123.626 122.820 0.004 0.000 2.507 192 A HA 0.112 4.432 4.320 0.001 0.000 0.235 192 A C 1.238 178.823 177.584 0.002 0.000 1.070 192 A CA 0.248 52.287 52.037 0.003 0.000 0.768 192 A CB 0.053 19.054 19.000 0.002 0.000 1.011 192 A HN 1.012 nan 8.150 nan 0.000 0.502 193 Q N -0.246 119.555 119.800 0.002 0.000 2.364 193 Q HA -0.190 4.150 4.340 0.001 0.000 0.209 193 Q C 1.517 177.517 176.000 -0.000 0.000 0.977 193 Q CA 1.762 57.566 55.803 0.001 0.000 0.885 193 Q CB -0.095 28.644 28.738 0.001 0.000 0.941 193 Q HN 0.902 nan 8.270 nan 0.000 0.464 194 Q N -1.564 118.236 119.800 -0.001 0.000 2.204 194 Q HA 0.195 4.535 4.340 0.001 0.000 0.209 194 Q C -0.497 175.500 176.000 -0.005 0.000 0.861 194 Q CA -0.355 55.446 55.803 -0.003 0.000 0.971 194 Q CB 0.368 29.105 28.738 -0.003 0.000 1.095 194 Q HN 0.096 nan 8.270 nan 0.000 0.486 195 c N 2.392 120.990 118.600 -0.003 0.000 2.303 195 c HA 0.223 4.794 4.570 0.001 0.000 0.341 195 c C 1.917 176.003 174.090 -0.006 0.000 1.244 195 c CA -0.013 56.313 56.329 -0.004 0.000 1.765 195 c CB 0.546 43.057 42.510 0.002 0.000 2.379 195 c HN 0.742 nan 8.230 nan 0.000 0.530 196 S N 3.300 118.990 115.700 -0.016 0.000 2.348 196 S HA -0.026 4.444 4.470 0.001 0.000 0.221 196 S C 1.218 175.814 174.600 -0.006 0.000 1.033 196 S CA 1.328 59.517 58.200 -0.018 0.000 1.010 196 S CB -0.182 62.994 63.200 -0.041 0.000 0.891 196 S HN 0.919 nan 8.310 nan 0.000 0.442 197 G N 1.806 110.604 108.800 -0.002 0.000 2.890 197 G HA2 0.505 4.466 3.960 0.001 0.000 0.199 197 G HA3 0.505 4.466 3.960 0.001 0.000 0.199 197 G C -0.347 174.564 174.900 0.019 0.000 1.729 197 G CA -0.699 44.409 45.100 0.012 0.000 0.767 197 G HN 0.227 nan 8.290 nan 0.000 0.804 198 R N -0.523 119.993 120.500 0.026 0.000 2.541 198 R HA 0.677 5.018 4.340 0.001 0.000 0.254 198 R C -0.225 176.090 176.300 0.025 0.000 1.130 198 R CA -0.067 56.050 56.100 0.028 0.000 1.152 198 R CB 0.459 30.781 30.300 0.036 0.000 1.222 198 R HN 0.820 nan 8.270 nan 0.000 0.579 199 c N -2.466 116.148 118.600 0.024 0.000 3.332 199 c HA 0.551 5.122 4.570 0.001 0.000 0.329 199 c C 1.059 175.161 174.090 0.020 0.000 1.434 199 c CA -0.937 55.405 56.329 0.021 0.000 1.314 199 c CB 1.953 44.472 42.510 0.015 0.000 1.664 199 c HN 0.860 nan 8.230 nan 0.000 0.457 200 R N 0.674 121.185 120.500 0.018 0.000 2.146 200 R HA 0.456 4.796 4.340 0.001 0.000 0.206 200 R C 1.015 177.322 176.300 0.011 0.000 1.049 200 R CA 1.008 57.117 56.100 0.015 0.000 1.029 200 R CB 0.145 30.455 30.300 0.016 0.000 0.949 200 R HN 0.944 nan 8.270 nan 0.000 0.471 201 G N -0.114 108.692 108.800 0.010 0.000 3.058 201 G HA2 0.191 4.151 3.960 0.001 0.000 0.282 201 G HA3 0.191 4.151 3.960 0.001 0.000 0.282 201 G C -0.423 174.481 174.900 0.006 0.000 1.248 201 G CA -0.427 44.677 45.100 0.007 0.000 0.822 201 G HN -0.090 nan 8.290 nan 0.000 0.579 202 K N -0.403 119.999 120.400 0.004 0.000 2.242 202 K HA 0.159 4.480 4.320 0.001 0.000 0.200 202 K C 1.389 177.991 176.600 0.003 0.000 1.050 202 K CA 0.760 57.049 56.287 0.003 0.000 0.981 202 K CB -0.081 32.420 32.500 0.001 0.000 0.795 202 K HN 0.524 nan 8.250 nan 0.000 0.477 203 S N 1.448 117.150 115.700 0.004 0.000 2.560 203 S HA 0.084 4.554 4.470 0.001 0.000 0.284 203 S C -2.066 172.537 174.600 0.005 0.000 1.327 203 S CA -1.118 57.084 58.200 0.004 0.000 1.055 203 S CB 0.852 64.055 63.200 0.004 0.000 0.868 203 S HN 0.032 nan 8.310 nan 0.000 0.506 204 P HA 0.046 nan 4.420 nan 0.000 0.231 204 P C 0.549 177.853 177.300 0.006 0.000 1.158 204 P CA 0.665 63.768 63.100 0.004 0.000 0.763 204 P CB -0.067 31.635 31.700 0.003 0.000 0.805 205 S N -0.667 115.037 115.700 0.007 0.000 2.671 205 S HA 0.040 4.510 4.470 0.001 0.000 0.220 205 S C 0.610 175.217 174.600 0.012 0.000 0.951 205 S CA 0.420 58.626 58.200 0.009 0.000 0.932 205 S CB -0.337 62.867 63.200 0.008 0.000 0.777 205 S HN 0.174 nan 8.310 nan 0.000 0.508 206 D N 0.070 120.477 120.400 0.012 0.000 2.500 206 D HA 0.195 4.836 4.640 0.001 0.000 0.217 206 D C -0.115 176.196 176.300 0.018 0.000 1.159 206 D CA -0.266 53.743 54.000 0.014 0.000 0.828 206 D CB 0.012 40.819 40.800 0.012 0.000 1.039 206 D HN 0.219 nan 8.370 nan 0.000 0.512 207 c N 1.850 120.459 118.600 0.016 0.000 2.590 207 c HA 0.061 4.632 4.570 0.001 0.000 0.411 207 c C 1.431 175.537 174.090 0.027 0.000 1.420 207 c CA -0.573 55.765 56.329 0.015 0.000 1.643 207 c CB -0.910 41.604 42.510 0.006 0.000 2.528 207 c HN 0.379 nan 8.230 nan 0.000 0.606 208 c N 4.059 122.679 118.600 0.034 0.000 2.563 208 c HA 0.168 4.738 4.570 0.001 0.000 0.358 208 c C 1.040 175.174 174.090 0.073 0.000 1.336 208 c CA -0.398 55.967 56.329 0.060 0.000 2.454 208 c CB -0.178 42.367 42.510 0.059 0.000 2.448 208 c HN 0.826 nan 8.230 nan 0.000 0.670 209 H N 1.910 120.992 119.070 0.021 0.000 2.707 209 H HA -0.009 4.547 4.556 0.001 0.000 0.359 209 H C 1.135 176.479 175.328 0.027 0.000 1.113 209 H CA 0.402 56.463 56.048 0.023 0.000 1.422 209 H CB 0.506 30.282 29.762 0.025 0.000 1.443 209 H HN 0.661 nan 8.280 nan 0.000 0.591 210 N N 2.164 120.586 118.700 -0.463 0.000 2.258 210 N HA -0.165 4.576 4.740 0.001 0.000 0.187 210 N C 0.133 175.668 175.510 0.042 0.000 1.012 210 N CA 1.164 54.096 53.050 -0.196 0.000 0.870 210 N CB 0.270 38.596 38.487 -0.268 0.000 0.977 210 N HN 0.613 nan 8.380 nan 0.000 0.434 211 Q N 0.218 120.201 119.800 0.306 0.000 2.465 211 Q HA 0.190 4.531 4.340 0.001 0.000 0.361 211 Q C -0.798 175.325 176.000 0.206 0.000 0.957 211 Q CA -0.138 55.831 55.803 0.276 0.000 1.065 211 Q CB 0.019 28.943 28.738 0.311 0.000 1.274 211 Q HN 0.227 nan 8.270 nan 0.000 0.421 212 c N -0.388 118.305 118.600 0.155 0.000 2.456 212 c HA 0.750 5.321 4.570 0.001 0.000 0.325 212 c C 1.573 175.709 174.090 0.075 0.000 1.217 212 c CA -0.475 55.917 56.329 0.105 0.000 1.687 212 c CB 1.390 43.961 42.510 0.102 0.000 2.270 212 c HN 0.672 nan 8.230 nan 0.000 0.499 213 A N 2.661 125.518 122.820 0.061 0.000 1.991 213 A HA 0.400 4.720 4.320 0.001 0.000 0.217 213 A C 2.013 179.624 177.584 0.045 0.000 1.487 213 A CA 1.361 53.428 52.037 0.051 0.000 0.603 213 A CB -1.260 17.766 19.000 0.044 0.000 1.112 213 A HN 1.018 nan 8.150 nan 0.000 0.492 214 A N -1.414 121.429 122.820 0.038 0.000 1.831 214 A HA 0.467 4.788 4.320 0.001 0.000 0.213 214 A C 1.412 179.016 177.584 0.033 0.000 1.223 214 A CA 1.818 53.876 52.037 0.034 0.000 0.604 214 A CB -1.059 17.955 19.000 0.022 0.000 0.878 214 A HN 1.364 nan 8.150 nan 0.000 0.450 215 G N -2.920 105.898 108.800 0.029 0.000 2.911 215 G HA2 0.489 4.449 3.960 0.001 0.000 0.299 215 G HA3 0.489 4.449 3.960 0.001 0.000 0.299 215 G C -0.838 174.081 174.900 0.032 0.000 1.283 215 G CA 0.098 45.215 45.100 0.029 0.000 0.805 215 G HN 1.466 nan 8.290 nan 0.000 0.548 216 c N -2.245 116.373 118.600 0.030 0.000 3.239 216 c HA 0.783 5.353 4.570 0.001 0.000 0.317 216 c C 1.327 175.431 174.090 0.024 0.000 1.310 216 c CA 0.353 56.700 56.329 0.031 0.000 1.371 216 c CB 1.077 43.615 42.510 0.046 0.000 1.714 216 c HN 1.231 nan 8.230 nan 0.000 0.473 217 T N -1.261 113.305 114.554 0.020 0.000 3.057 217 T HA 0.502 4.852 4.350 0.001 0.000 0.254 217 T C 0.709 175.420 174.700 0.018 0.000 1.094 217 T CA 0.989 63.098 62.100 0.015 0.000 1.088 217 T CB -0.178 68.697 68.868 0.011 0.000 0.934 217 T HN 1.992 nan 8.240 nan 0.000 0.497 218 G N 0.972 109.786 108.800 0.024 0.000 2.649 218 G HA2 0.552 4.512 3.960 0.001 0.000 0.290 218 G HA3 0.552 4.512 3.960 0.001 0.000 0.290 218 G C -2.524 172.401 174.900 0.042 0.000 1.426 218 G CA -1.087 44.029 45.100 0.027 0.000 0.794 218 G HN -0.204 nan 8.290 nan 0.000 0.483 219 P HA -0.042 nan 4.420 nan 0.000 0.219 219 P C 0.707 178.072 177.300 0.108 0.000 1.150 219 P CA 0.517 63.657 63.100 0.067 0.000 0.814 219 P CB 0.414 32.145 31.700 0.051 0.000 0.787 220 R N 0.684 121.230 120.500 0.076 0.000 2.726 220 R HA 0.038 4.378 4.340 0.001 0.000 0.272 220 R C 2.045 178.337 176.300 -0.013 0.000 1.097 220 R CA 0.032 56.172 56.100 0.067 0.000 1.198 220 R CB 0.049 30.363 30.300 0.022 0.000 1.114 220 R HN 0.223 nan 8.270 nan 0.000 0.550 221 E N -0.023 120.051 120.200 -0.211 0.000 2.268 221 E HA -0.135 4.215 4.350 0.001 0.000 0.195 221 E C 0.777 177.223 176.600 -0.255 0.000 0.995 221 E CA 1.398 57.433 56.400 -0.609 0.000 0.836 221 E CB 0.061 29.329 29.700 -0.720 0.000 0.763 221 E HN 0.536 nan 8.360 nan 0.000 0.491 222 S N 0.074 115.700 115.700 -0.125 0.000 2.557 222 S HA 0.088 4.559 4.470 0.001 0.000 0.223 222 S C 0.264 174.845 174.600 -0.032 0.000 0.969 222 S CA -0.362 57.799 58.200 -0.065 0.000 0.927 222 S CB 0.271 63.445 63.200 -0.044 0.000 0.806 222 S HN 0.057 nan 8.310 nan 0.000 0.489 223 D N 1.435 121.821 120.400 -0.023 0.000 2.491 223 D HA 0.300 4.941 4.640 0.001 0.000 0.228 223 D C -0.336 175.971 176.300 0.012 0.000 1.183 223 D CA -0.282 53.719 54.000 0.001 0.000 0.827 223 D CB -0.024 40.784 40.800 0.013 0.000 0.989 223 D HN 0.336 nan 8.370 nan 0.000 0.494 224 c N 0.528 119.132 118.600 0.006 0.000 2.466 224 c HA 0.281 4.851 4.570 0.001 0.000 0.379 224 c C 2.313 176.413 174.090 0.018 0.000 1.251 224 c CA -0.638 55.704 56.329 0.021 0.000 2.263 224 c CB 0.735 43.259 42.510 0.023 0.000 2.511 224 c HN 0.327 nan 8.230 nan 0.000 0.573 225 L N 2.268 123.504 121.223 0.022 0.000 2.023 225 L HA 0.087 4.427 4.340 0.001 0.000 0.205 225 L C 0.142 177.022 176.870 0.017 0.000 1.073 225 L CA 1.355 56.204 54.840 0.016 0.000 0.745 225 L CB -0.411 41.657 42.059 0.015 0.000 0.900 225 L HN 0.470 nan 8.230 nan 0.000 0.435 226 V N -1.394 118.534 119.914 0.024 0.000 2.808 226 V HA 0.220 4.340 4.120 0.001 0.000 0.308 226 V C -0.408 175.708 176.094 0.037 0.000 1.099 226 V CA -1.136 61.180 62.300 0.026 0.000 0.920 226 V CB 2.012 33.849 31.823 0.024 0.000 1.014 226 V HN 0.157 nan 8.190 nan 0.000 0.425 227 c N 3.058 121.681 118.600 0.038 0.000 2.676 227 c HA 0.188 4.758 4.570 0.001 0.000 0.416 227 c C 1.991 176.116 174.090 0.058 0.000 1.299 227 c CA 0.071 56.432 56.329 0.053 0.000 2.048 227 c CB -0.003 42.541 42.510 0.057 0.000 2.713 227 c HN 1.052 nan 8.230 nan 0.000 0.624 228 R N 0.680 121.229 120.500 0.082 0.000 2.173 228 R HA 0.047 4.387 4.340 0.001 0.000 0.208 228 R C 1.681 178.031 176.300 0.083 0.000 1.035 228 R CA 0.991 57.140 56.100 0.082 0.000 1.004 228 R CB 0.038 30.395 30.300 0.096 0.000 0.917 228 R HN 0.652 nan 8.270 nan 0.000 0.462 229 K N -1.373 119.088 120.400 0.101 0.000 2.804 229 K HA 0.219 4.539 4.320 0.001 0.000 0.248 229 K C -0.246 176.320 176.600 -0.057 0.000 1.516 229 K CA 0.181 56.515 56.287 0.078 0.000 0.881 229 K CB 0.038 32.721 32.500 0.304 0.000 1.964 229 K HN -0.148 nan 8.250 nan 0.000 0.358 230 F N 1.045 121.022 119.950 0.044 0.000 2.457 230 F HA 0.481 5.009 4.527 0.001 0.000 0.330 230 F C 0.458 176.276 175.800 0.031 0.000 1.069 230 F CA -0.680 57.342 58.000 0.036 0.000 1.009 230 F CB 0.954 39.974 39.000 0.034 0.000 1.276 230 F HN -0.060 nan 8.300 nan 0.000 0.492 231 R N 1.277 121.913 120.500 0.227 0.000 2.468 231 R HA 0.223 4.563 4.340 0.001 0.000 0.302 231 R C -1.667 174.706 176.300 0.121 0.000 1.041 231 R CA -0.456 55.721 56.100 0.129 0.000 0.899 231 R CB 0.615 30.962 30.300 0.078 0.000 1.167 231 R HN 0.570 nan 8.270 nan 0.000 0.483 232 D N 4.593 125.047 120.400 0.089 0.000 2.564 232 D HA 0.126 4.766 4.640 0.001 0.000 0.226 232 D C 0.019 176.341 176.300 0.038 0.000 1.149 232 D CA 0.201 54.239 54.000 0.062 0.000 0.994 232 D CB 0.225 41.049 40.800 0.040 0.000 1.029 232 D HN 0.751 nan 8.370 nan 0.000 0.517 233 E N 0.517 120.741 120.200 0.040 0.000 3.221 233 E HA -0.396 3.954 4.350 0.001 0.000 0.410 233 E C 1.115 177.725 176.600 0.016 0.000 1.531 233 E CA 1.571 57.986 56.400 0.025 0.000 1.285 233 E CB -1.355 28.355 29.700 0.017 0.000 1.542 233 E HN 0.408 nan 8.360 nan 0.000 0.482 234 A N 0.601 123.425 122.820 0.007 0.000 1.968 234 A HA -0.019 4.302 4.320 0.001 0.000 0.217 234 A C 1.352 178.930 177.584 -0.010 0.000 1.169 234 A CA 2.099 54.135 52.037 -0.002 0.000 0.638 234 A CB -0.501 18.495 19.000 -0.006 0.000 0.812 234 A HN 0.503 nan 8.150 nan 0.000 0.446 235 T N -4.213 110.333 114.554 -0.014 0.000 2.948 235 T HA 0.491 4.842 4.350 0.001 0.000 0.285 235 T C -0.465 174.224 174.700 -0.017 0.000 1.019 235 T CA -0.823 61.253 62.100 -0.039 0.000 1.013 235 T CB 1.358 70.189 68.868 -0.060 0.000 1.117 235 T HN 0.153 nan 8.240 nan 0.000 0.533 236 c N 3.148 121.721 118.600 -0.045 0.000 2.239 236 c HA 0.605 5.176 4.570 0.001 0.000 0.323 236 c C 0.367 174.476 174.090 0.032 0.000 1.205 236 c CA -1.083 55.255 56.329 0.016 0.000 1.584 236 c CB -0.783 41.742 42.510 0.026 0.000 2.201 236 c HN 0.723 nan 8.230 nan 0.000 0.475 237 K N 1.718 122.170 120.400 0.086 0.000 2.095 237 K HA 0.221 4.541 4.320 0.001 0.000 0.252 237 K C 0.686 177.375 176.600 0.148 0.000 0.977 237 K CA -0.354 55.983 56.287 0.084 0.000 0.900 237 K CB 1.445 33.964 32.500 0.030 0.000 1.060 237 K HN 0.609 nan 8.250 nan 0.000 0.449 238 D N 0.291 120.757 120.400 0.110 0.000 2.183 238 D HA -0.033 4.607 4.640 0.001 0.000 0.205 238 D C -0.531 175.775 176.300 0.010 0.000 0.962 238 D CA 1.079 55.158 54.000 0.132 0.000 0.849 238 D CB 0.608 41.468 40.800 0.101 0.000 0.978 238 D HN 0.441 nan 8.370 nan 0.000 0.488 239 T N -0.019 114.449 114.554 -0.143 0.000 2.971 239 T HA 0.306 4.657 4.350 0.001 0.000 0.304 239 T C -0.589 173.903 174.700 -0.347 0.000 1.038 239 T CA -0.693 61.189 62.100 -0.364 0.000 1.007 239 T CB 1.414 70.165 68.868 -0.195 0.000 1.055 239 T HN 0.013 nan 8.240 nan 0.000 0.451 240 c N 4.896 123.180 118.600 -0.526 0.000 2.596 240 c HA 0.150 4.721 4.570 0.001 0.000 0.414 240 c C -1.769 172.221 174.090 -0.167 0.000 1.396 240 c CA -0.765 55.398 56.329 -0.277 0.000 1.698 240 c CB -0.753 41.615 42.510 -0.237 0.000 2.572 240 c HN 0.607 nan 8.230 nan 0.000 0.604 241 P HA 0.070 nan 4.420 nan 0.000 0.255 241 P C -2.263 174.981 177.300 -0.093 0.000 1.173 241 P CA -0.271 62.782 63.100 -0.079 0.000 0.780 241 P CB -0.283 31.384 31.700 -0.055 0.000 0.758 242 P HA -0.028 nan 4.420 nan 0.000 0.265 242 P C 1.061 178.303 177.300 -0.097 0.000 1.187 242 P CA 0.353 63.406 63.100 -0.078 0.000 0.766 242 P CB 0.445 32.120 31.700 -0.042 0.000 0.820 243 L N 1.011 122.155 121.223 -0.133 0.000 2.201 243 L HA -0.025 4.316 4.340 0.001 0.000 0.212 243 L C 1.132 177.953 176.870 -0.082 0.000 1.105 243 L CA 1.454 56.203 54.840 -0.152 0.000 0.775 243 L CB -0.273 41.654 42.059 -0.219 0.000 0.913 243 L HN 0.441 nan 8.230 nan 0.000 0.440 244 M N -0.621 118.947 119.600 -0.053 0.000 2.501 244 M HA 0.457 4.937 4.480 0.001 0.000 0.293 244 M C -1.346 174.953 176.300 -0.001 0.000 1.192 244 M CA -0.383 54.903 55.300 -0.024 0.000 0.886 244 M CB 3.239 35.831 32.600 -0.015 0.000 1.710 244 M HN -0.165 nan 8.290 nan 0.000 0.457 245 L N 1.093 122.321 121.223 0.008 0.000 2.354 245 L HA 0.544 4.885 4.340 0.001 0.000 0.269 245 L C -1.094 175.815 176.870 0.065 0.000 1.005 245 L CA -1.032 53.828 54.840 0.034 0.000 0.819 245 L CB 1.746 43.810 42.059 0.009 0.000 1.311 245 L HN 0.553 nan 8.230 nan 0.000 0.423 246 Y N 2.175 122.457 120.300 -0.030 0.000 2.377 246 Y HA 0.151 4.701 4.550 0.001 0.000 0.330 246 Y C 0.223 176.093 175.900 -0.051 0.000 1.108 246 Y CA -0.158 57.922 58.100 -0.033 0.000 1.308 246 Y CB 0.719 39.160 38.460 -0.031 0.000 1.216 246 Y HN 0.495 nan 8.280 nan 0.000 0.518 247 N N 8.252 126.551 118.700 -0.669 0.000 2.500 247 N HA 0.270 5.011 4.740 0.001 0.000 0.236 247 N C -2.276 172.766 175.510 -0.781 0.000 1.022 247 N CA -2.509 50.223 53.050 -0.530 0.000 0.935 247 N CB 1.333 39.619 38.487 -0.335 0.000 1.147 247 N HN 0.388 nan 8.380 nan 0.000 0.512 248 P HA -0.071 nan 4.420 nan 0.000 0.219 248 P C 0.836 177.809 177.300 -0.544 0.000 1.146 248 P CA 1.250 64.097 63.100 -0.423 0.000 0.808 248 P CB 0.461 32.063 31.700 -0.163 0.000 0.779 249 T N -1.539 112.797 114.554 -0.363 0.000 2.852 249 T HA -0.059 4.291 4.350 0.001 0.000 0.256 249 T C 1.659 176.265 174.700 -0.155 0.000 1.038 249 T CA 1.958 63.921 62.100 -0.228 0.000 1.141 249 T CB -0.821 67.974 68.868 -0.122 0.000 0.869 249 T HN 0.266 nan 8.240 nan 0.000 0.439 250 T N -1.372 113.079 114.554 -0.171 0.000 3.107 250 T HA 0.073 4.424 4.350 0.001 0.000 0.249 250 T C 0.585 175.311 174.700 0.044 0.000 1.096 250 T CA -0.147 61.930 62.100 -0.038 0.000 1.012 250 T CB -0.687 68.142 68.868 -0.066 0.000 0.977 250 T HN 0.419 nan 8.240 nan 0.000 0.527 251 Y N 0.248 120.408 120.300 -0.234 0.000 3.978 251 Y HA -0.198 4.353 4.550 0.001 0.000 0.219 251 Y C 0.812 176.628 175.900 -0.140 0.000 1.153 251 Y CA 0.501 58.498 58.100 -0.171 0.000 1.718 251 Y CB -2.248 36.233 38.460 0.034 0.000 1.541 251 Y HN 0.401 nan 8.280 nan 0.000 0.640 252 Q N -0.931 118.748 119.800 -0.201 0.000 3.274 252 Q HA 0.823 5.163 4.340 0.001 0.000 0.303 252 Q C -0.912 175.022 176.000 -0.109 0.000 1.005 252 Q CA -1.056 54.714 55.803 -0.056 0.000 0.831 252 Q CB 1.007 29.733 28.738 -0.021 0.000 1.538 252 Q HN 0.197 nan 8.270 nan 0.000 0.481 253 M N 1.135 120.727 119.600 -0.014 0.000 2.383 253 M HA 0.454 4.935 4.480 0.001 0.000 0.325 253 M C -1.721 174.566 176.300 -0.021 0.000 1.092 253 M CA -0.214 55.090 55.300 0.008 0.000 0.961 253 M CB 1.721 34.351 32.600 0.050 0.000 1.672 253 M HN 0.403 nan 8.290 nan 0.000 0.438 254 D N 2.058 122.442 120.400 -0.027 0.000 2.419 254 D HA 0.460 5.101 4.640 0.001 0.000 0.234 254 D C -1.007 175.281 176.300 -0.020 0.000 1.014 254 D CA -0.347 53.635 54.000 -0.030 0.000 0.919 254 D CB 2.142 42.914 40.800 -0.047 0.000 1.366 254 D HN 0.289 nan 8.370 nan 0.000 0.490 255 V N 2.152 122.055 119.914 -0.019 0.000 2.530 255 V HA 0.111 4.231 4.120 0.001 0.000 0.282 255 V C 0.337 176.416 176.094 -0.024 0.000 1.048 255 V CA -0.375 61.913 62.300 -0.020 0.000 0.997 255 V CB 0.934 32.749 31.823 -0.015 0.000 0.987 255 V HN 0.402 nan 8.190 nan 0.000 0.477 256 N N 6.832 125.513 118.700 -0.031 0.000 2.439 256 N HA 0.341 5.082 4.740 0.001 0.000 0.249 256 N C -1.728 173.763 175.510 -0.031 0.000 1.003 256 N CA -2.001 51.030 53.050 -0.031 0.000 0.942 256 N CB 1.848 40.312 38.487 -0.037 0.000 1.115 256 N HN 0.222 nan 8.380 nan 0.000 0.505 257 P HA -0.079 nan 4.420 nan 0.000 0.217 257 P C 0.347 177.637 177.300 -0.017 0.000 1.150 257 P CA 1.081 64.172 63.100 -0.015 0.000 0.832 257 P CB 0.333 32.027 31.700 -0.010 0.000 0.787 258 E N -0.093 120.095 120.200 -0.020 0.000 2.526 258 E HA 0.042 4.392 4.350 0.001 0.000 0.198 258 E C 1.132 177.713 176.600 -0.031 0.000 1.091 258 E CA 0.253 56.642 56.400 -0.020 0.000 0.880 258 E CB -0.656 29.034 29.700 -0.018 0.000 0.873 258 E HN 0.197 nan 8.360 nan 0.000 0.527 259 G N 1.327 110.099 108.800 -0.046 0.000 2.398 259 G HA2 0.206 4.167 3.960 0.001 0.000 0.246 259 G HA3 0.206 4.167 3.960 0.001 0.000 0.246 259 G C -0.203 174.644 174.900 -0.088 0.000 1.289 259 G CA -0.156 44.893 45.100 -0.084 0.000 0.869 259 G HN -0.078 nan 8.290 nan 0.000 0.543 260 K N 0.423 120.758 120.400 -0.109 0.000 2.443 260 K HA 0.482 4.803 4.320 0.001 0.000 0.251 260 K C -1.082 175.447 176.600 -0.119 0.000 0.972 260 K CA -0.687 55.566 56.287 -0.056 0.000 0.833 260 K CB 1.638 34.146 32.500 0.013 0.000 1.317 260 K HN 0.517 nan 8.250 nan 0.000 0.441 261 Y N -0.095 120.224 120.300 0.032 0.000 2.316 261 Y HA 0.290 4.840 4.550 0.001 0.000 0.324 261 Y C 0.355 176.304 175.900 0.082 0.000 1.267 261 Y CA -0.019 58.113 58.100 0.054 0.000 1.311 261 Y CB 1.524 40.019 38.460 0.058 0.000 1.267 261 Y HN 0.349 nan 8.280 nan 0.000 0.516 262 S N 2.966 118.828 115.700 0.270 0.000 2.423 262 S HA 0.285 4.756 4.470 0.001 0.000 0.317 262 S C -1.283 173.492 174.600 0.291 0.000 1.065 262 S CA -0.499 57.846 58.200 0.241 0.000 1.111 262 S CB -0.325 62.972 63.200 0.161 0.000 0.968 262 S HN 0.444 nan 8.310 nan 0.000 0.474 263 F N 3.770 123.787 119.950 0.112 0.000 2.366 263 F HA 0.574 5.101 4.527 0.001 0.000 0.366 263 F C 0.915 176.723 175.800 0.014 0.000 1.096 263 F CA 0.268 58.267 58.000 -0.001 0.000 1.060 263 F CB -0.004 38.944 39.000 -0.087 0.000 1.282 263 F HN 0.785 nan 8.300 nan 0.000 0.450 264 G N 4.148 112.698 108.800 -0.416 0.000 2.602 264 G HA2 -0.299 3.662 3.960 0.001 0.000 0.310 264 G HA3 -0.299 3.662 3.960 0.001 0.000 0.310 264 G C 0.656 175.442 174.900 -0.190 0.000 1.183 264 G CA 0.348 45.240 45.100 -0.347 0.000 0.979 264 G HN 1.552 nan 8.290 nan 0.000 0.545 265 A N 0.536 123.231 122.820 -0.208 0.000 2.545 265 A HA 0.677 4.997 4.320 0.001 0.000 0.277 265 A C 0.919 178.477 177.584 -0.044 0.000 1.301 265 A CA 1.656 53.487 52.037 -0.344 0.000 0.935 265 A CB -0.305 18.500 19.000 -0.324 0.000 1.093 265 A HN 2.108 nan 8.150 nan 0.000 0.519 266 T N -3.680 110.958 114.554 0.140 0.000 2.916 266 T HA 0.522 4.873 4.350 0.001 0.000 0.292 266 T C -0.644 174.227 174.700 0.285 0.000 1.055 266 T CA -0.773 61.455 62.100 0.213 0.000 1.009 266 T CB 1.397 70.370 68.868 0.175 0.000 1.118 266 T HN 0.132 nan 8.240 nan 0.000 0.497 267 c N 3.357 122.087 118.600 0.216 0.000 2.251 267 c HA 0.752 5.323 4.570 0.001 0.000 0.323 267 c C 0.722 174.891 174.090 0.131 0.000 1.241 267 c CA -0.756 55.674 56.329 0.168 0.000 1.601 267 c CB -0.822 41.751 42.510 0.104 0.000 2.251 267 c HN 0.874 nan 8.230 nan 0.000 0.488 268 V N 2.364 122.368 119.914 0.150 0.000 3.093 268 V HA 0.657 4.777 4.120 0.001 0.000 0.320 268 V C 0.450 176.626 176.094 0.137 0.000 1.093 268 V CA -0.697 61.662 62.300 0.099 0.000 1.016 268 V CB 1.381 33.221 31.823 0.028 0.000 1.096 268 V HN 0.643 nan 8.190 nan 0.000 0.452 269 K N 0.677 121.132 120.400 0.092 0.000 2.243 269 K HA 0.181 4.502 4.320 0.001 0.000 0.201 269 K C 0.441 177.154 176.600 0.189 0.000 1.051 269 K CA 1.217 57.581 56.287 0.127 0.000 0.970 269 K CB -0.161 32.375 32.500 0.061 0.000 0.755 269 K HN 0.888 nan 8.250 nan 0.000 0.465 270 K N -1.779 118.643 120.400 0.037 0.000 2.555 270 K HA 0.461 4.782 4.320 0.001 0.000 0.279 270 K C -1.146 175.292 176.600 -0.270 0.000 0.986 270 K CA -0.890 55.290 56.287 -0.178 0.000 0.880 270 K CB 1.278 33.690 32.500 -0.146 0.000 1.474 270 K HN -0.207 nan 8.250 nan 0.000 0.433 271 c N 1.823 120.168 118.600 -0.424 0.000 2.466 271 c HA 0.384 4.954 4.570 0.001 0.000 0.379 271 c C -2.061 171.893 174.090 -0.225 0.000 1.251 271 c CA -0.992 55.164 56.329 -0.288 0.000 2.263 271 c CB -0.190 42.191 42.510 -0.215 0.000 2.511 271 c HN 0.638 nan 8.230 nan 0.000 0.573 272 P HA 0.062 nan 4.420 nan 0.000 0.264 272 P C 0.577 177.891 177.300 0.023 0.000 1.183 272 P CA 0.427 63.443 63.100 -0.141 0.000 0.763 272 P CB 0.337 31.952 31.700 -0.142 0.000 0.807 273 R N 2.535 123.041 120.500 0.011 0.000 2.200 273 R HA -0.163 4.177 4.340 0.001 0.000 0.234 273 R C 1.459 177.805 176.300 0.078 0.000 1.127 273 R CA 1.456 57.575 56.100 0.031 0.000 0.989 273 R CB -0.427 29.884 30.300 0.019 0.000 0.869 273 R HN 0.603 nan 8.270 nan 0.000 0.459 274 N N -0.573 118.204 118.700 0.128 0.000 2.353 274 N HA -0.094 4.646 4.740 0.001 0.000 0.185 274 N C 0.096 175.660 175.510 0.090 0.000 1.098 274 N CA 0.427 53.541 53.050 0.106 0.000 0.872 274 N CB -0.008 38.534 38.487 0.091 0.000 0.970 274 N HN 0.171 nan 8.380 nan 0.000 0.467 275 Y N 0.018 120.352 120.300 0.056 0.000 2.418 275 Y HA 0.461 5.012 4.550 0.001 0.000 0.327 275 Y C 0.497 176.434 175.900 0.061 0.000 1.309 275 Y CA -0.985 57.166 58.100 0.086 0.000 1.423 275 Y CB 1.221 39.770 38.460 0.147 0.000 1.423 275 Y HN -0.301 nan 8.280 nan 0.000 0.532 276 V N 2.140 122.200 119.914 0.243 0.000 2.398 276 V HA 0.257 4.378 4.120 0.001 0.000 0.286 276 V C -0.763 175.432 176.094 0.168 0.000 1.026 276 V CA -0.890 61.503 62.300 0.155 0.000 0.868 276 V CB 1.261 33.153 31.823 0.115 0.000 0.982 276 V HN 0.376 nan 8.190 nan 0.000 0.443 277 V N 5.061 125.046 119.914 0.118 0.000 2.383 277 V HA 0.381 4.502 4.120 0.001 0.000 0.275 277 V C 0.714 176.902 176.094 0.156 0.000 1.036 277 V CA -0.273 62.103 62.300 0.127 0.000 0.889 277 V CB 1.563 33.415 31.823 0.048 0.000 0.985 277 V HN 1.055 nan 8.190 nan 0.000 0.459 278 T N 0.275 114.953 114.554 0.207 0.000 2.881 278 T HA 0.283 4.633 4.350 0.001 0.000 0.278 278 T C 0.653 175.445 174.700 0.155 0.000 0.982 278 T CA -0.698 61.511 62.100 0.181 0.000 0.989 278 T CB 1.327 70.349 68.868 0.256 0.000 1.058 278 T HN 0.500 nan 8.240 nan 0.000 0.529 279 D N -0.434 119.989 120.400 0.040 0.000 2.224 279 D HA -0.018 4.623 4.640 0.001 0.000 0.205 279 D C 1.793 178.051 176.300 -0.069 0.000 0.965 279 D CA 1.155 55.132 54.000 -0.039 0.000 0.852 279 D CB -0.382 40.342 40.800 -0.127 0.000 0.947 279 D HN 0.749 nan 8.370 nan 0.000 0.494 280 H N -0.057 119.033 119.070 0.033 0.000 2.387 280 H HA 0.058 4.615 4.556 0.001 0.000 0.299 280 H C 1.322 176.633 175.328 -0.029 0.000 1.099 280 H CA 1.477 57.528 56.048 0.006 0.000 1.315 280 H CB 0.047 29.821 29.762 0.019 0.000 1.380 280 H HN 0.239 nan 8.280 nan 0.000 0.513 281 G N -0.012 108.865 108.800 0.128 0.000 2.309 281 G HA2 -0.160 3.800 3.960 0.001 0.000 0.183 281 G HA3 -0.160 3.800 3.960 0.001 0.000 0.183 281 G C -0.542 174.449 174.900 0.151 0.000 1.063 281 G CA 0.025 45.099 45.100 -0.044 0.000 0.768 281 G HN 0.610 nan 8.290 nan 0.000 0.490 282 S N -1.519 114.366 115.700 0.307 0.000 2.546 282 S HA 0.617 5.087 4.470 0.001 0.000 0.272 282 S C -0.082 174.688 174.600 0.284 0.000 1.140 282 S CA -0.682 57.683 58.200 0.275 0.000 0.920 282 S CB 1.678 64.975 63.200 0.162 0.000 1.083 282 S HN 0.952 nan 8.310 nan 0.000 0.476 283 c N 3.741 122.506 118.600 0.274 0.000 2.442 283 c HA 0.650 5.220 4.570 0.001 0.000 0.362 283 c C 1.030 175.292 174.090 0.287 0.000 1.242 283 c CA -0.617 55.873 56.329 0.268 0.000 1.741 283 c CB -1.466 41.202 42.510 0.263 0.000 2.378 283 c HN 0.781 nan 8.230 nan 0.000 0.549 284 V N 2.662 122.761 119.914 0.308 0.000 3.166 284 V HA 0.625 4.745 4.120 0.001 0.000 0.317 284 V C 0.505 176.767 176.094 0.279 0.000 1.136 284 V CA -0.915 61.543 62.300 0.263 0.000 1.035 284 V CB 1.493 33.410 31.823 0.157 0.000 1.110 284 V HN 0.769 nan 8.190 nan 0.000 0.450 285 R N 0.502 121.088 120.500 0.144 0.000 2.334 285 R HA 0.714 5.055 4.340 0.001 0.000 0.212 285 R C 0.261 176.557 176.300 -0.008 0.000 0.897 285 R CA 0.784 56.875 56.100 -0.014 0.000 1.056 285 R CB 1.058 31.340 30.300 -0.031 0.000 1.046 285 R HN 1.015 nan 8.270 nan 0.000 0.513 286 A N -0.169 122.673 122.820 0.037 0.000 2.599 286 A HA 0.472 4.793 4.320 0.001 0.000 0.294 286 A C -0.995 176.617 177.584 0.046 0.000 1.055 286 A CA -0.920 51.137 52.037 0.034 0.000 0.683 286 A CB 0.725 19.740 19.000 0.025 0.000 1.278 286 A HN 0.164 nan 8.150 nan 0.000 0.412 287 c N 0.519 119.144 118.600 0.042 0.000 2.362 287 c HA 0.796 5.366 4.570 0.001 0.000 0.363 287 c C 1.545 175.652 174.090 0.028 0.000 1.220 287 c CA -0.053 56.297 56.329 0.036 0.000 2.379 287 c CB 0.687 43.210 42.510 0.021 0.000 2.351 287 c HN 1.283 nan 8.230 nan 0.000 0.582 288 G N 0.232 109.046 108.800 0.024 0.000 2.699 288 G HA2 0.411 4.371 3.960 0.001 0.000 0.246 288 G HA3 0.411 4.371 3.960 0.001 0.000 0.246 288 G C 0.884 175.793 174.900 0.015 0.000 1.219 288 G CA 0.206 45.317 45.100 0.018 0.000 0.866 288 G HN 1.227 nan 8.290 nan 0.000 0.572 289 A N -0.405 122.423 122.820 0.014 0.000 2.264 289 A HA 0.078 4.398 4.320 0.001 0.000 0.207 289 A C 1.318 178.914 177.584 0.020 0.000 1.196 289 A CA 1.318 53.366 52.037 0.018 0.000 0.778 289 A CB -0.115 18.892 19.000 0.011 0.000 0.779 289 A HN 0.488 nan 8.150 nan 0.000 0.483 290 D N -0.536 119.869 120.400 0.009 0.000 2.349 290 D HA 0.147 4.787 4.640 0.001 0.000 0.214 290 D C 0.132 176.414 176.300 -0.030 0.000 1.063 290 D CA 0.510 54.509 54.000 -0.001 0.000 0.847 290 D CB 0.375 41.172 40.800 -0.005 0.000 0.933 290 D HN 0.287 nan 8.370 nan 0.000 0.513 291 S N -0.647 115.032 115.700 -0.036 0.000 2.685 291 S HA 0.613 5.083 4.470 0.001 0.000 0.282 291 S C -0.914 173.658 174.600 -0.046 0.000 1.159 291 S CA -0.960 57.155 58.200 -0.142 0.000 0.833 291 S CB 1.578 64.686 63.200 -0.154 0.000 1.151 291 S HN 0.216 nan 8.310 nan 0.000 0.485 292 Y N -0.477 119.839 120.300 0.026 0.000 2.833 292 Y HA 0.742 5.293 4.550 0.001 0.000 0.319 292 Y C -0.628 175.289 175.900 0.028 0.000 1.254 292 Y CA -1.336 56.779 58.100 0.025 0.000 1.138 292 Y CB 0.439 38.912 38.460 0.022 0.000 1.352 292 Y HN 0.479 nan 8.280 nan 0.000 0.546 293 E N 1.400 121.801 120.200 0.335 0.000 2.073 293 E HA 0.315 4.665 4.350 0.001 0.000 0.269 293 E C -1.497 175.266 176.600 0.271 0.000 0.917 293 E CA -0.670 55.856 56.400 0.209 0.000 0.757 293 E CB 1.472 31.247 29.700 0.125 0.000 1.111 293 E HN 0.578 nan 8.360 nan 0.000 0.410 294 M N 3.730 123.474 119.600 0.239 0.000 2.063 294 M HA 0.162 4.642 4.480 0.001 0.000 0.348 294 M C 0.078 176.449 176.300 0.117 0.000 1.180 294 M CA 0.076 55.505 55.300 0.215 0.000 1.059 294 M CB 0.665 33.409 32.600 0.239 0.000 1.544 294 M HN 0.417 nan 8.290 nan 0.000 0.447 295 E N 2.934 123.190 120.200 0.092 0.000 4.213 295 E HA 0.126 4.476 4.350 0.001 0.000 0.562 295 E C -0.065 176.569 176.600 0.056 0.000 0.538 295 E CA -0.043 56.396 56.400 0.065 0.000 3.571 295 E CB 0.311 30.042 29.700 0.052 0.000 2.299 295 E HN 0.775 nan 8.360 nan 0.000 0.416 296 E N -0.225 120.001 120.200 0.044 0.000 4.479 296 E HA -0.346 4.004 4.350 0.001 0.000 0.204 296 E C -0.104 176.519 176.600 0.038 0.000 1.503 296 E CA 1.318 57.740 56.400 0.038 0.000 2.489 296 E CB -0.633 29.090 29.700 0.038 0.000 2.112 296 E HN 0.788 nan 8.360 nan 0.000 0.447 297 D N -1.092 119.329 120.400 0.035 0.000 3.006 297 D HA -0.296 4.345 4.640 0.001 0.000 0.208 297 D C 0.831 177.149 176.300 0.030 0.000 1.116 297 D CA 3.298 57.318 54.000 0.034 0.000 0.998 297 D CB -1.325 39.498 40.800 0.039 0.000 1.124 297 D HN 1.046 nan 8.370 nan 0.000 0.413 298 G N -2.127 106.689 108.800 0.027 0.000 2.956 298 G HA2 -0.226 3.734 3.960 0.001 0.000 0.210 298 G HA3 -0.226 3.734 3.960 0.001 0.000 0.210 298 G C 0.440 175.352 174.900 0.020 0.000 1.316 298 G CA 1.142 46.254 45.100 0.021 0.000 0.819 298 G HN 1.392 nan 8.290 nan 0.000 0.544 299 V N -2.101 117.826 119.914 0.021 0.000 3.182 299 V HA 0.930 5.051 4.120 0.001 0.000 0.311 299 V C 0.011 176.127 176.094 0.037 0.000 1.221 299 V CA -1.453 60.859 62.300 0.020 0.000 1.060 299 V CB 1.532 33.354 31.823 -0.001 0.000 1.164 299 V HN 0.418 nan 8.190 nan 0.000 0.466 300 R N 1.659 122.185 120.500 0.044 0.000 2.210 300 R HA 0.545 4.886 4.340 0.001 0.000 0.338 300 R C -0.416 175.921 176.300 0.062 0.000 1.062 300 R CA -0.099 56.035 56.100 0.057 0.000 0.902 300 R CB 0.509 30.845 30.300 0.060 0.000 1.050 300 R HN 0.726 nan 8.270 nan 0.000 0.461 301 K N 0.717 121.153 120.400 0.060 0.000 2.354 301 K HA 0.509 4.829 4.320 0.001 0.000 0.238 301 K C -0.552 176.068 176.600 0.035 0.000 1.068 301 K CA -0.660 55.659 56.287 0.053 0.000 0.925 301 K CB 1.594 34.121 32.500 0.045 0.000 1.286 301 K HN 0.407 nan 8.250 nan 0.000 0.500 302 c N 2.092 120.696 118.600 0.008 0.000 2.321 302 c HA 0.372 4.943 4.570 0.001 0.000 0.323 302 c C -0.781 173.235 174.090 -0.123 0.000 1.191 302 c CA -0.849 55.452 56.329 -0.048 0.000 1.455 302 c CB -0.304 42.201 42.510 -0.009 0.000 2.083 302 c HN 0.550 nan 8.230 nan 0.000 0.442 303 K N 2.821 123.058 120.400 -0.270 0.000 2.164 303 K HA 0.498 4.819 4.320 0.001 0.000 0.258 303 K C -0.277 175.992 176.600 -0.552 0.000 0.951 303 K CA -0.745 55.339 56.287 -0.339 0.000 0.844 303 K CB 1.829 34.166 32.500 -0.272 0.000 1.099 303 K HN 0.368 nan 8.250 nan 0.000 0.435 304 K N 0.590 120.808 120.400 -0.304 0.000 2.188 304 K HA 0.091 4.411 4.320 0.001 0.000 0.246 304 K C -0.371 176.098 176.600 -0.219 0.000 1.026 304 K CA -0.030 56.123 56.287 -0.223 0.000 0.871 304 K CB 0.387 32.834 32.500 -0.088 0.000 1.042 304 K HN 0.562 nan 8.250 nan 0.000 0.509 305 c N 1.403 119.991 118.600 -0.021 0.000 2.329 305 c HA 0.263 4.833 4.570 0.001 0.000 0.329 305 c C -0.204 173.970 174.090 0.141 0.000 1.275 305 c CA -0.729 55.713 56.329 0.189 0.000 1.726 305 c CB 0.524 43.153 42.510 0.199 0.000 2.291 305 c HN 0.638 nan 8.230 nan 0.000 0.514 306 E N 1.920 122.225 120.200 0.175 0.000 1.795 306 E HA 0.440 4.791 4.350 0.001 0.000 0.261 306 E C 0.921 177.564 176.600 0.071 0.000 1.238 306 E CA 1.463 57.922 56.400 0.098 0.000 1.001 306 E CB -0.496 29.255 29.700 0.086 0.000 1.065 306 E HN 1.029 nan 8.360 nan 0.000 0.418 307 G N 3.866 112.700 108.800 0.057 0.000 2.484 307 G HA2 -0.209 3.751 3.960 0.001 0.000 0.225 307 G HA3 -0.209 3.751 3.960 0.001 0.000 0.225 307 G C -2.193 172.735 174.900 0.047 0.000 1.250 307 G CA -0.944 44.182 45.100 0.043 0.000 0.926 307 G HN 0.442 nan 8.290 nan 0.000 0.581 308 P HA 0.481 nan 4.420 nan 0.000 0.271 308 P C 0.248 177.579 177.300 0.051 0.000 1.233 308 P CA -0.384 62.738 63.100 0.037 0.000 0.764 308 P CB 0.532 32.248 31.700 0.025 0.000 0.825 309 c N 4.078 122.716 118.600 0.063 0.000 2.689 309 c HA 0.137 4.708 4.570 0.001 0.000 0.409 309 c C 1.496 175.622 174.090 0.060 0.000 1.293 309 c CA -0.462 55.920 56.329 0.088 0.000 2.136 309 c CB -0.521 42.047 42.510 0.096 0.000 2.719 309 c HN 0.590 nan 8.230 nan 0.000 0.644 310 R N 1.216 121.752 120.500 0.061 0.000 2.811 310 R HA 0.063 4.403 4.340 0.001 0.000 0.265 310 R C 0.270 176.594 176.300 0.040 0.000 1.026 310 R CA 0.085 56.209 56.100 0.038 0.000 1.142 310 R CB 0.328 30.645 30.300 0.029 0.000 1.027 310 R HN 0.636 nan 8.270 nan 0.000 0.465 311 K N 1.652 122.069 120.400 0.029 0.000 2.383 311 K HA 0.066 4.387 4.320 0.001 0.000 0.286 311 K C -0.555 176.063 176.600 0.030 0.000 1.051 311 K CA -0.165 56.137 56.287 0.024 0.000 0.974 311 K CB 0.804 33.314 32.500 0.017 0.000 0.968 311 K HN 0.282 nan 8.250 nan 0.000 0.475 312 V N 6.306 126.235 119.914 0.025 0.000 2.465 312 V HA 0.268 4.389 4.120 0.001 0.000 0.279 312 V C -0.948 175.154 176.094 0.013 0.000 1.045 312 V CA -0.616 61.702 62.300 0.029 0.000 0.938 312 V CB 0.657 32.498 31.823 0.030 0.000 0.986 312 V HN 0.965 nan 8.190 nan 0.000 0.467 313 c N 6.848 125.467 118.600 0.032 0.000 2.264 313 c HA 0.462 5.032 4.570 0.001 0.000 0.322 313 c C 0.178 174.316 174.090 0.079 0.000 1.210 313 c CA -1.319 55.016 56.329 0.010 0.000 1.539 313 c CB -0.684 41.853 42.510 0.046 0.000 2.167 313 c HN 0.857 nan 8.230 nan 0.000 0.463 314 N N 2.188 120.925 118.700 0.062 0.000 2.440 314 N HA 0.210 4.950 4.740 0.001 0.000 0.265 314 N C 0.685 176.398 175.510 0.339 0.000 1.239 314 N CA 0.540 53.672 53.050 0.137 0.000 0.909 314 N CB 0.980 39.489 38.487 0.038 0.000 1.066 314 N HN 0.916 nan 8.380 nan 0.000 0.474 315 G N 1.581 110.541 108.800 0.266 0.000 2.667 315 G HA2 0.165 4.126 3.960 0.001 0.000 0.250 315 G HA3 0.165 4.126 3.960 0.001 0.000 0.250 315 G C 0.410 175.489 174.900 0.298 0.000 1.212 315 G CA -0.583 44.681 45.100 0.273 0.000 0.874 315 G HN 0.481 nan 8.290 nan 0.000 0.561 316 I N 1.105 121.784 120.570 0.182 0.000 2.668 316 I HA 0.234 4.404 4.170 0.001 0.000 0.285 316 I C 1.487 177.687 176.117 0.138 0.000 1.168 316 I CA 1.726 63.114 61.300 0.147 0.000 1.424 316 I CB 0.020 38.066 38.000 0.077 0.000 1.377 316 I HN 1.002 nan 8.210 nan 0.000 0.560 317 G N 6.082 114.967 108.800 0.141 0.000 2.154 317 G HA2 -0.167 3.793 3.960 0.001 0.000 0.186 317 G HA3 -0.167 3.793 3.960 0.001 0.000 0.186 317 G C -0.074 174.884 174.900 0.097 0.000 1.000 317 G CA -0.089 45.062 45.100 0.085 0.000 0.664 317 G HN 0.557 nan 8.290 nan 0.000 0.513 318 I N -0.585 120.059 120.570 0.124 0.000 2.827 318 I HA 0.552 4.722 4.170 0.001 0.000 0.298 318 I C 1.191 177.322 176.117 0.022 0.000 1.235 318 I CA 0.516 61.857 61.300 0.069 0.000 1.021 318 I CB 1.558 39.597 38.000 0.065 0.000 1.259 318 I HN 1.393 nan 8.210 nan 0.000 0.427 319 G N 6.144 114.925 108.800 -0.032 0.000 2.634 319 G HA2 -0.402 3.559 3.960 0.001 0.000 0.318 319 G HA3 -0.402 3.559 3.960 0.001 0.000 0.318 319 G C 0.662 175.446 174.900 -0.193 0.000 1.207 319 G CA 0.898 45.935 45.100 -0.106 0.000 0.987 319 G HN 0.953 nan 8.290 nan 0.000 0.547 320 E N 0.250 120.210 120.200 -0.399 0.000 2.409 320 E HA 0.126 4.477 4.350 0.001 0.000 0.198 320 E C 1.150 177.342 176.600 -0.680 0.000 1.024 320 E CA 1.432 57.449 56.400 -0.639 0.000 0.861 320 E CB -0.112 28.991 29.700 -0.995 0.000 0.788 320 E HN 0.458 nan 8.360 nan 0.000 0.521 321 F N 0.415 120.337 119.950 -0.047 0.000 2.850 321 F HA 0.358 4.886 4.527 0.001 0.000 0.329 321 F C 1.301 177.097 175.800 -0.006 0.000 1.182 321 F CA -0.948 57.044 58.000 -0.014 0.000 1.270 321 F CB 0.814 39.834 39.000 0.034 0.000 0.979 321 F HN -0.148 nan 8.300 nan 0.000 0.506 322 K N 0.883 121.335 120.400 0.087 0.000 2.147 322 K HA -0.132 4.189 4.320 0.001 0.000 0.205 322 K C 1.104 177.741 176.600 0.062 0.000 1.049 322 K CA 1.938 58.261 56.287 0.059 0.000 0.936 322 K CB -0.053 32.457 32.500 0.017 0.000 0.722 322 K HN 0.083 nan 8.250 nan 0.000 0.446 323 D N -0.581 119.863 120.400 0.073 0.000 2.324 323 D HA 0.026 4.667 4.640 0.001 0.000 0.212 323 D C -0.257 176.088 176.300 0.074 0.000 0.984 323 D CA 0.513 54.553 54.000 0.067 0.000 0.885 323 D CB -0.023 40.816 40.800 0.064 0.000 0.996 323 D HN 0.192 nan 8.370 nan 0.000 0.505 324 S N 1.403 117.168 115.700 0.109 0.000 2.515 324 S HA 0.116 4.586 4.470 0.001 0.000 0.285 324 S C 1.125 175.730 174.600 0.008 0.000 1.265 324 S CA -0.398 57.851 58.200 0.082 0.000 1.079 324 S CB 0.674 63.953 63.200 0.132 0.000 0.877 324 S HN 0.172 nan 8.310 nan 0.000 0.493 325 L N 0.624 121.828 121.223 -0.031 0.000 2.607 325 L HA 0.557 4.897 4.340 0.001 0.000 0.228 325 L C 0.517 177.307 176.870 -0.133 0.000 1.123 325 L CA 0.026 54.797 54.840 -0.115 0.000 0.890 325 L CB -0.661 41.353 42.059 -0.074 0.000 1.103 325 L HN 0.659 nan 8.230 nan 0.000 0.468 326 S N -0.436 115.216 115.700 -0.079 0.000 2.543 326 S HA 0.435 4.906 4.470 0.001 0.000 0.274 326 S C -0.879 173.644 174.600 -0.128 0.000 1.149 326 S CA -0.849 57.312 58.200 -0.064 0.000 0.866 326 S CB 1.004 64.170 63.200 -0.056 0.000 1.111 326 S HN 0.251 nan 8.310 nan 0.000 0.457 327 I N 4.703 125.164 120.570 -0.181 0.000 2.691 327 I HA 0.128 4.298 4.170 0.001 0.000 0.288 327 I C -0.169 175.807 176.117 -0.235 0.000 1.143 327 I CA 0.259 61.394 61.300 -0.274 0.000 1.364 327 I CB -0.696 37.078 38.000 -0.377 0.000 1.435 327 I HN 0.716 nan 8.210 nan 0.000 0.551 328 N N 5.527 124.129 118.700 -0.162 0.000 2.518 328 N HA 0.512 5.252 4.740 0.001 0.000 0.284 328 N C 0.611 176.080 175.510 -0.068 0.000 1.230 328 N CA -0.317 52.659 53.050 -0.122 0.000 0.941 328 N CB 1.079 39.527 38.487 -0.064 0.000 1.219 328 N HN 0.390 nan 8.380 nan 0.000 0.560 329 A N -0.850 121.943 122.820 -0.046 0.000 2.125 329 A HA -0.087 4.233 4.320 0.001 0.000 0.219 329 A C 1.641 179.245 177.584 0.032 0.000 1.156 329 A CA 1.532 53.564 52.037 -0.010 0.000 0.671 329 A CB -1.215 17.784 19.000 -0.002 0.000 0.794 329 A HN 0.758 nan 8.150 nan 0.000 0.459 330 T N 1.052 115.638 114.554 0.053 0.000 2.781 330 T HA -0.084 4.266 4.350 0.001 0.000 0.252 330 T C 1.656 176.466 174.700 0.184 0.000 1.039 330 T CA 1.409 63.571 62.100 0.103 0.000 1.147 330 T CB -0.373 68.559 68.868 0.106 0.000 0.865 330 T HN 0.843 nan 8.240 nan 0.000 0.423 331 N N 1.374 120.187 118.700 0.188 0.000 2.461 331 N HA 0.113 4.854 4.740 0.001 0.000 0.188 331 N C 1.358 177.099 175.510 0.385 0.000 1.134 331 N CA 0.137 53.380 53.050 0.322 0.000 0.878 331 N CB -0.712 37.829 38.487 0.089 0.000 0.972 331 N HN 0.400 nan 8.380 nan 0.000 0.456 332 I N 0.164 120.878 120.570 0.240 0.000 3.111 332 I HA -0.090 4.080 4.170 0.001 0.000 0.272 332 I C 1.242 177.522 176.117 0.271 0.000 1.268 332 I CA 0.566 62.023 61.300 0.260 0.000 1.467 332 I CB 0.084 38.119 38.000 0.059 0.000 1.087 332 I HN 0.111 nan 8.210 nan 0.000 0.467 333 K N -0.187 120.305 120.400 0.154 0.000 2.097 333 K HA -0.193 4.128 4.320 0.001 0.000 0.206 333 K C 1.107 177.640 176.600 -0.112 0.000 1.049 333 K CA 1.444 57.697 56.287 -0.056 0.000 0.933 333 K CB -0.452 31.897 32.500 -0.251 0.000 0.717 333 K HN 0.498 nan 8.250 nan 0.000 0.442 334 H N -1.027 118.087 119.070 0.074 0.000 2.566 334 H HA 0.106 4.662 4.556 0.001 0.000 0.280 334 H C -0.039 175.087 175.328 -0.336 0.000 1.042 334 H CA 0.278 56.272 56.048 -0.090 0.000 1.168 334 H CB -0.232 29.513 29.762 -0.029 0.000 1.340 334 H HN 0.099 nan 8.280 nan 0.000 0.597 335 F N -0.696 119.328 119.950 0.123 0.000 2.764 335 F HA 0.249 4.776 4.527 0.001 0.000 0.310 335 F C 1.635 177.456 175.800 0.035 0.000 1.124 335 F CA -0.400 57.644 58.000 0.073 0.000 1.252 335 F CB 0.632 39.650 39.000 0.031 0.000 1.010 335 F HN -0.119 nan 8.300 nan 0.000 0.518 336 K N 1.069 121.545 120.400 0.127 0.000 1.965 336 K HA -0.058 4.263 4.320 0.001 0.000 0.220 336 K C 0.529 177.171 176.600 0.069 0.000 1.046 336 K CA 1.534 57.866 56.287 0.075 0.000 0.974 336 K CB -0.159 32.358 32.500 0.027 0.000 0.738 336 K HN -0.058 nan 8.250 nan 0.000 0.444 337 N N 0.272 119.002 118.700 0.051 0.000 3.301 337 N HA 0.147 4.888 4.740 0.001 0.000 0.289 337 N C -1.485 174.059 175.510 0.056 0.000 1.343 337 N CA -0.145 52.932 53.050 0.045 0.000 1.136 337 N CB 0.040 38.543 38.487 0.026 0.000 1.402 337 N HN 0.139 nan 8.380 nan 0.000 0.516 338 c N 0.197 118.850 118.600 0.087 0.000 2.295 338 c HA 0.365 4.936 4.570 0.001 0.000 0.331 338 c C 1.906 176.048 174.090 0.086 0.000 1.280 338 c CA -0.610 55.781 56.329 0.103 0.000 1.746 338 c CB 0.348 42.968 42.510 0.183 0.000 2.328 338 c HN 0.602 nan 8.230 nan 0.000 0.521 339 T N -1.583 113.011 114.554 0.067 0.000 2.990 339 T HA 0.135 4.486 4.350 0.001 0.000 0.250 339 T C 0.483 175.218 174.700 0.059 0.000 1.041 339 T CA 0.139 62.271 62.100 0.053 0.000 1.010 339 T CB 0.186 69.073 68.868 0.032 0.000 1.003 339 T HN 0.591 nan 8.240 nan 0.000 0.499 340 S N 1.054 116.796 115.700 0.071 0.000 2.677 340 S HA 0.576 5.046 4.470 0.001 0.000 0.283 340 S C -1.227 173.427 174.600 0.090 0.000 1.159 340 S CA -0.906 57.335 58.200 0.068 0.000 1.001 340 S CB 0.585 63.818 63.200 0.056 0.000 1.032 340 S HN 0.254 nan 8.310 nan 0.000 0.487 341 I N 4.533 125.159 120.570 0.093 0.000 2.281 341 I HA 0.215 4.386 4.170 0.001 0.000 0.293 341 I C 0.952 177.113 176.117 0.074 0.000 1.085 341 I CA -0.084 61.288 61.300 0.119 0.000 1.257 341 I CB 0.542 38.616 38.000 0.123 0.000 1.430 341 I HN 0.673 nan 8.210 nan 0.000 0.489 342 S N 5.501 121.247 115.700 0.076 0.000 4.120 342 S HA 0.534 5.005 4.470 0.001 0.000 0.215 342 S C 0.543 175.172 174.600 0.048 0.000 1.347 342 S CA 0.330 58.559 58.200 0.048 0.000 0.889 342 S CB -0.784 62.443 63.200 0.044 0.000 1.585 342 S HN 1.012 nan 8.310 nan 0.000 0.447 343 G N 2.576 111.391 108.800 0.024 0.000 2.491 343 G HA2 0.144 4.104 3.960 0.001 0.000 0.183 343 G HA3 0.144 4.104 3.960 0.001 0.000 0.183 343 G C -2.076 172.773 174.900 -0.085 0.000 1.221 343 G CA -0.653 44.451 45.100 0.007 0.000 0.996 343 G HN 0.458 nan 8.290 nan 0.000 0.474 344 D N 0.037 120.351 120.400 -0.144 0.000 2.374 344 D HA 0.688 5.329 4.640 0.001 0.000 0.239 344 D C -0.541 175.565 176.300 -0.324 0.000 0.991 344 D CA -0.262 53.467 54.000 -0.450 0.000 0.960 344 D CB 2.243 42.559 40.800 -0.807 0.000 1.284 344 D HN 0.318 nan 8.370 nan 0.000 0.512 345 L N 1.231 122.149 121.223 -0.510 0.000 2.349 345 L HA 0.296 4.636 4.340 0.001 0.000 0.278 345 L C -0.642 175.974 176.870 -0.424 0.000 0.996 345 L CA -0.582 54.060 54.840 -0.330 0.000 0.825 345 L CB 1.577 43.491 42.059 -0.241 0.000 1.243 345 L HN 0.235 nan 8.230 nan 0.000 0.412 346 H N 5.628 124.591 119.070 -0.179 0.000 2.685 346 H HA 0.398 4.954 4.556 0.001 0.000 0.307 346 H C -0.538 174.745 175.328 -0.074 0.000 1.017 346 H CA -0.438 55.557 56.048 -0.088 0.000 1.237 346 H CB 2.048 31.774 29.762 -0.059 0.000 1.409 346 H HN 0.437 nan 8.280 nan 0.000 0.488 347 I N 5.443 126.052 120.570 0.065 0.000 2.313 347 I HA 0.058 4.228 4.170 0.001 0.000 0.286 347 I C -0.606 175.565 176.117 0.090 0.000 1.091 347 I CA -0.431 60.911 61.300 0.069 0.000 1.216 347 I CB 0.270 38.420 38.000 0.249 0.000 1.434 347 I HN 0.147 nan 8.210 nan 0.000 0.487 348 L N 8.530 129.757 121.223 0.007 0.000 2.344 348 L HA 0.474 4.814 4.340 0.001 0.000 0.272 348 L C -1.469 175.419 176.870 0.030 0.000 1.035 348 L CA -2.029 52.841 54.840 0.049 0.000 0.807 348 L CB 0.702 42.785 42.059 0.040 0.000 1.237 348 L HN 0.127 nan 8.230 nan 0.000 0.442 349 P HA -0.126 nan 4.420 nan 0.000 0.219 349 P C 1.711 179.078 177.300 0.112 0.000 1.146 349 P CA 0.713 63.932 63.100 0.199 0.000 0.808 349 P CB 0.342 32.132 31.700 0.151 0.000 0.779 350 V N -0.453 119.484 119.914 0.039 0.000 2.867 350 V HA -0.174 3.947 4.120 0.001 0.000 0.260 350 V C 1.958 178.033 176.094 -0.032 0.000 1.099 350 V CA 2.057 64.365 62.300 0.014 0.000 1.122 350 V CB -1.194 30.633 31.823 0.006 0.000 0.708 350 V HN 0.065 nan 8.190 nan 0.000 0.490 351 A N -0.966 121.774 122.820 -0.133 0.000 1.930 351 A HA 0.036 4.356 4.320 0.001 0.000 0.215 351 A C 1.913 179.347 177.584 -0.249 0.000 1.176 351 A CA 1.394 53.279 52.037 -0.255 0.000 0.632 351 A CB -0.573 18.160 19.000 -0.444 0.000 0.819 351 A HN 0.573 nan 8.150 nan 0.000 0.445 352 F N 0.345 120.287 119.950 -0.015 0.000 2.149 352 F HA -0.041 4.486 4.527 0.001 0.000 0.294 352 F C 2.408 178.198 175.800 -0.017 0.000 1.095 352 F CA 1.273 59.256 58.000 -0.029 0.000 1.276 352 F CB -0.021 38.958 39.000 -0.036 0.000 1.023 352 F HN 0.212 nan 8.300 nan 0.000 0.480 353 R N 1.105 121.711 120.500 0.178 0.000 2.335 353 R HA 0.374 4.715 4.340 0.001 0.000 0.223 353 R C 0.622 176.958 176.300 0.061 0.000 0.940 353 R CA 0.561 56.722 56.100 0.101 0.000 1.086 353 R CB -0.642 29.709 30.300 0.085 0.000 1.073 353 R HN 0.183 nan 8.270 nan 0.000 0.504 354 G N 1.154 109.981 108.800 0.046 0.000 2.825 354 G HA2 -0.257 3.704 3.960 0.001 0.000 0.684 354 G HA3 -0.257 3.704 3.960 0.001 0.000 0.684 354 G C -1.538 173.376 174.900 0.024 0.000 1.528 354 G CA -0.046 45.069 45.100 0.026 0.000 0.963 354 G HN 0.425 nan 8.290 nan 0.000 0.577 355 D N -0.645 119.767 120.400 0.020 0.000 2.593 355 D HA 0.601 5.242 4.640 0.001 0.000 0.251 355 D C 1.291 177.595 176.300 0.006 0.000 1.140 355 D CA 0.187 54.202 54.000 0.026 0.000 0.855 355 D CB 1.309 42.132 40.800 0.038 0.000 1.267 355 D HN 0.706 nan 8.370 nan 0.000 0.532 356 S N 2.499 118.200 115.700 0.001 0.000 2.558 356 S HA 0.001 4.471 4.470 0.001 0.000 0.217 356 S C 1.518 176.002 174.600 -0.194 0.000 0.975 356 S CA -0.278 57.883 58.200 -0.066 0.000 0.912 356 S CB -0.230 62.960 63.200 -0.017 0.000 0.776 356 S HN 0.476 nan 8.310 nan 0.000 0.526 357 F N 3.611 123.419 119.950 -0.237 0.000 2.262 357 F HA 0.090 4.617 4.527 0.001 0.000 0.292 357 F C 2.336 177.950 175.800 -0.309 0.000 1.081 357 F CA 1.509 59.355 58.000 -0.257 0.000 1.355 357 F CB -0.242 38.694 39.000 -0.106 0.000 1.069 357 F HN 0.337 nan 8.300 nan 0.000 0.506 358 T N -3.439 111.076 114.554 -0.064 0.000 3.107 358 T HA 0.113 4.463 4.350 0.001 0.000 0.249 358 T C -0.136 174.599 174.700 0.058 0.000 1.096 358 T CA 0.450 62.552 62.100 0.004 0.000 1.012 358 T CB -1.025 67.909 68.868 0.110 0.000 0.977 358 T HN 0.480 nan 8.240 nan 0.000 0.527 359 H N 1.597 120.665 119.070 -0.004 0.000 2.748 359 H HA -0.124 4.432 4.556 0.001 0.000 0.322 359 H C -0.012 175.323 175.328 0.013 0.000 1.208 359 H CA 0.819 56.863 56.048 -0.005 0.000 1.151 359 H CB -2.472 27.271 29.762 -0.032 0.000 1.505 359 H HN 0.718 nan 8.280 nan 0.000 0.429 360 T N -1.755 112.846 114.554 0.079 0.000 2.848 360 T HA 0.607 4.957 4.350 0.001 0.000 0.285 360 T C -2.743 171.982 174.700 0.041 0.000 0.995 360 T CA -2.246 59.892 62.100 0.063 0.000 0.970 360 T CB 3.156 72.054 68.868 0.051 0.000 0.976 360 T HN -0.086 nan 8.240 nan 0.000 0.441 361 P HA 0.359 nan 4.420 nan 0.000 0.272 361 P C -2.551 174.762 177.300 0.021 0.000 1.240 361 P CA -1.291 61.827 63.100 0.031 0.000 0.791 361 P CB -0.612 31.106 31.700 0.030 0.000 0.978 362 P HA 0.047 nan 4.420 nan 0.000 0.268 362 P C -0.656 176.660 177.300 0.028 0.000 1.208 362 P CA 0.045 63.166 63.100 0.034 0.000 0.777 362 P CB 0.260 31.989 31.700 0.049 0.000 0.875 363 L N 2.374 123.617 121.223 0.033 0.000 2.292 363 L HA 0.328 4.668 4.340 0.001 0.000 0.284 363 L C -0.104 176.822 176.870 0.094 0.000 1.065 363 L CA -0.360 54.492 54.840 0.019 0.000 0.806 363 L CB 0.493 42.486 42.059 -0.110 0.000 1.175 363 L HN 0.181 nan 8.230 nan 0.000 0.431 364 D N 6.464 126.891 120.400 0.045 0.000 2.338 364 D HA 0.222 4.862 4.640 0.001 0.000 0.255 364 D C -1.820 174.501 176.300 0.034 0.000 1.237 364 D CA -1.994 52.026 54.000 0.034 0.000 0.883 364 D CB 1.512 42.317 40.800 0.008 0.000 1.087 364 D HN 0.368 nan 8.370 nan 0.000 0.485 365 P HA -0.179 nan 4.420 nan 0.000 0.220 365 P C 1.041 178.309 177.300 -0.053 0.000 1.144 365 P CA 0.917 63.997 63.100 -0.034 0.000 0.800 365 P CB 0.261 31.869 31.700 -0.153 0.000 0.772 366 Q N 0.226 120.002 119.800 -0.040 0.000 2.291 366 Q HA -0.144 4.196 4.340 0.001 0.000 0.205 366 Q C 1.626 177.613 176.000 -0.022 0.000 0.970 366 Q CA 1.366 57.147 55.803 -0.036 0.000 0.876 366 Q CB -0.668 28.049 28.738 -0.035 0.000 0.935 366 Q HN 0.296 nan 8.270 nan 0.000 0.455 367 E N -0.779 119.408 120.200 -0.021 0.000 2.489 367 E HA 0.037 4.387 4.350 0.001 0.000 0.193 367 E C 0.874 177.447 176.600 -0.044 0.000 1.057 367 E CA -0.115 56.271 56.400 -0.023 0.000 0.866 367 E CB 0.229 29.919 29.700 -0.017 0.000 0.916 367 E HN 0.408 nan 8.360 nan 0.000 0.500 368 L N 0.420 121.605 121.223 -0.062 0.000 2.509 368 L HA -0.041 4.300 4.340 0.001 0.000 0.222 368 L C 0.975 177.785 176.870 -0.100 0.000 1.123 368 L CA 0.372 55.133 54.840 -0.132 0.000 0.856 368 L CB 0.040 41.934 42.059 -0.274 0.000 0.985 368 L HN 0.003 nan 8.230 nan 0.000 0.456 369 D N 0.482 120.883 120.400 0.003 0.000 2.350 369 D HA -0.126 4.514 4.640 0.001 0.000 0.216 369 D C 2.141 178.432 176.300 -0.015 0.000 0.968 369 D CA 0.829 54.849 54.000 0.034 0.000 0.894 369 D CB 0.007 40.834 40.800 0.044 0.000 0.909 369 D HN 0.293 nan 8.370 nan 0.000 0.520 370 I N 0.198 120.752 120.570 -0.028 0.000 2.335 370 I HA -0.233 3.937 4.170 0.001 0.000 0.251 370 I C 1.762 177.870 176.117 -0.016 0.000 1.129 370 I CA 0.862 62.157 61.300 -0.009 0.000 1.402 370 I CB -0.180 37.826 38.000 0.011 0.000 1.069 370 I HN 0.067 nan 8.210 nan 0.000 0.424 371 L N 0.443 121.615 121.223 -0.085 0.000 2.610 371 L HA -0.056 4.284 4.340 0.001 0.000 0.232 371 L C 2.004 178.816 176.870 -0.097 0.000 1.149 371 L CA 0.476 55.251 54.840 -0.110 0.000 0.872 371 L CB -0.480 41.404 42.059 -0.292 0.000 0.992 371 L HN 0.173 nan 8.230 nan 0.000 0.447 372 K N -0.044 120.314 120.400 -0.070 0.000 2.515 372 K HA -0.088 4.232 4.320 0.001 0.000 0.196 372 K C 1.925 178.525 176.600 -0.001 0.000 1.038 372 K CA 1.494 57.761 56.287 -0.033 0.000 0.967 372 K CB -0.055 32.442 32.500 -0.005 0.000 0.780 372 K HN 0.434 nan 8.250 nan 0.000 0.483 373 T N -2.504 112.057 114.554 0.013 0.000 3.057 373 T HA 0.072 4.423 4.350 0.001 0.000 0.254 373 T C 0.816 175.542 174.700 0.044 0.000 1.094 373 T CA -0.291 61.825 62.100 0.027 0.000 1.088 373 T CB -0.014 68.874 68.868 0.033 0.000 0.934 373 T HN -0.216 nan 8.240 nan 0.000 0.497 374 V N 2.799 122.751 119.914 0.063 0.000 2.458 374 V HA 0.193 4.313 4.120 0.001 0.000 0.287 374 V C 1.386 177.526 176.094 0.078 0.000 1.009 374 V CA 0.154 62.511 62.300 0.094 0.000 1.091 374 V CB 0.666 32.579 31.823 0.150 0.000 0.960 374 V HN 0.305 nan 8.190 nan 0.000 0.476 375 K N 3.408 123.842 120.400 0.056 0.000 2.214 375 K HA 0.136 4.457 4.320 0.001 0.000 0.201 375 K C 0.704 177.321 176.600 0.028 0.000 1.049 375 K CA 0.712 57.019 56.287 0.034 0.000 0.978 375 K CB 0.417 32.929 32.500 0.021 0.000 0.842 375 K HN 0.924 nan 8.250 nan 0.000 0.474 376 E N -0.425 119.795 120.200 0.034 0.000 2.367 376 E HA 0.399 4.750 4.350 0.001 0.000 0.273 376 E C -1.093 175.521 176.600 0.023 0.000 0.903 376 E CA -0.775 55.638 56.400 0.021 0.000 0.764 376 E CB 1.760 31.471 29.700 0.019 0.000 1.252 376 E HN -0.059 nan 8.360 nan 0.000 0.446 377 I N 2.880 123.450 120.570 -0.001 0.000 2.439 377 I HA 0.157 4.328 4.170 0.001 0.000 0.285 377 I C 1.202 177.307 176.117 -0.020 0.000 1.021 377 I CA -0.675 60.615 61.300 -0.017 0.000 1.091 377 I CB 2.041 40.002 38.000 -0.067 0.000 1.242 377 I HN 0.891 nan 8.210 nan 0.000 0.439 378 T N 1.846 116.390 114.554 -0.017 0.000 2.737 378 T HA -0.032 4.319 4.350 0.001 0.000 0.265 378 T C 1.331 176.010 174.700 -0.034 0.000 1.038 378 T CA 1.059 63.142 62.100 -0.028 0.000 1.144 378 T CB -0.219 68.632 68.868 -0.030 0.000 0.866 378 T HN 0.647 nan 8.240 nan 0.000 0.434 379 G N 1.771 110.546 108.800 -0.041 0.000 3.224 379 G HA2 0.475 4.435 3.960 0.001 0.000 0.161 379 G HA3 0.475 4.435 3.960 0.001 0.000 0.161 379 G C -0.061 174.867 174.900 0.046 0.000 1.872 379 G CA -0.129 44.965 45.100 -0.009 0.000 1.012 379 G HN 0.677 nan 8.290 nan 0.000 0.504 380 F N -2.102 117.806 119.950 -0.070 0.000 2.611 380 F HA 0.777 5.305 4.527 0.001 0.000 0.324 380 F C -1.129 174.564 175.800 -0.179 0.000 1.061 380 F CA -1.776 56.162 58.000 -0.104 0.000 0.954 380 F CB 1.875 40.820 39.000 -0.091 0.000 1.301 380 F HN 0.352 nan 8.300 nan 0.000 0.482 381 L N 3.693 124.902 121.223 -0.023 0.000 2.316 381 L HA 0.627 4.967 4.340 0.001 0.000 0.280 381 L C -1.743 175.076 176.870 -0.084 0.000 1.006 381 L CA -0.791 53.916 54.840 -0.223 0.000 0.836 381 L CB 1.132 42.986 42.059 -0.342 0.000 1.221 381 L HN 0.791 nan 8.230 nan 0.000 0.418 382 L N 6.882 128.018 121.223 -0.145 0.000 2.298 382 L HA 0.635 4.976 4.340 0.001 0.000 0.284 382 L C -1.106 175.729 176.870 -0.058 0.000 1.013 382 L CA -0.042 54.766 54.840 -0.053 0.000 0.824 382 L CB 1.096 43.160 42.059 0.008 0.000 1.221 382 L HN 0.563 nan 8.230 nan 0.000 0.418 383 I N 5.640 126.195 120.570 -0.025 0.000 2.437 383 I HA 0.290 4.460 4.170 0.001 0.000 0.279 383 I C 0.416 176.581 176.117 0.081 0.000 1.028 383 I CA -0.142 61.192 61.300 0.056 0.000 1.142 383 I CB 1.508 39.522 38.000 0.022 0.000 1.266 383 I HN 0.702 nan 8.210 nan 0.000 0.461 384 Q N 3.871 123.745 119.800 0.123 0.000 2.384 384 Q HA 0.391 4.732 4.340 0.001 0.000 0.207 384 Q C 0.421 176.525 176.000 0.173 0.000 0.904 384 Q CA 0.076 55.948 55.803 0.115 0.000 0.933 384 Q CB 1.257 30.054 28.738 0.099 0.000 1.077 384 Q HN 0.773 nan 8.270 nan 0.000 0.522 385 A N 0.242 123.229 122.820 0.279 0.000 2.594 385 A HA 0.693 5.013 4.320 0.001 0.000 0.291 385 A C -2.170 175.790 177.584 0.626 0.000 1.105 385 A CA -0.513 51.756 52.037 0.387 0.000 0.694 385 A CB 1.733 20.994 19.000 0.436 0.000 1.291 385 A HN 0.259 nan 8.150 nan 0.000 0.410 386 W N 1.294 122.684 121.300 0.151 0.000 3.700 386 W HA 0.392 5.052 4.660 0.001 0.000 0.279 386 W C -3.263 173.074 176.519 -0.302 0.000 1.270 386 W CA -1.271 56.077 57.345 0.006 0.000 1.216 386 W CB 0.989 30.493 29.460 0.073 0.000 1.292 386 W HN 0.575 nan 8.180 nan 0.000 0.557 387 P HA -0.104 nan 4.420 nan 0.000 0.264 387 P C 0.915 178.084 177.300 -0.219 0.000 1.179 387 P CA 0.890 63.595 63.100 -0.658 0.000 0.763 387 P CB 0.635 31.947 31.700 -0.646 0.000 0.806 388 E N 2.377 122.476 120.200 -0.168 0.000 2.122 388 E HA -0.148 4.203 4.350 0.001 0.000 0.190 388 E C 0.694 177.281 176.600 -0.023 0.000 0.977 388 E CA 1.158 57.530 56.400 -0.046 0.000 0.820 388 E CB -0.898 28.773 29.700 -0.049 0.000 0.770 388 E HN 0.278 nan 8.360 nan 0.000 0.462 389 N N 0.601 119.262 118.700 -0.064 0.000 2.519 389 N HA -0.046 4.694 4.740 0.001 0.000 0.186 389 N C 0.151 175.650 175.510 -0.017 0.000 1.062 389 N CA 0.593 53.617 53.050 -0.044 0.000 0.910 389 N CB -0.013 38.432 38.487 -0.069 0.000 0.958 389 N HN 0.017 nan 8.380 nan 0.000 0.445 390 R N -0.596 119.914 120.500 0.016 0.000 2.460 390 R HA 0.214 4.554 4.340 0.001 0.000 0.303 390 R C 0.406 176.833 176.300 0.211 0.000 0.968 390 R CA -0.070 56.103 56.100 0.122 0.000 0.889 390 R CB 1.244 31.678 30.300 0.225 0.000 1.123 390 R HN -0.116 nan 8.270 nan 0.000 0.455 391 T N 0.263 114.932 114.554 0.191 0.000 3.174 391 T HA 0.160 4.511 4.350 0.001 0.000 0.269 391 T C -0.899 173.907 174.700 0.176 0.000 1.017 391 T CA -0.047 62.151 62.100 0.164 0.000 0.899 391 T CB -0.123 68.808 68.868 0.104 0.000 1.077 391 T HN 0.463 nan 8.240 nan 0.000 0.552 392 D N -0.055 120.507 120.400 0.270 0.000 2.717 392 D HA 0.276 4.916 4.640 0.001 0.000 0.223 392 D C -0.781 175.654 176.300 0.225 0.000 1.240 392 D CA -0.565 53.553 54.000 0.197 0.000 0.801 392 D CB 1.445 42.350 40.800 0.175 0.000 1.556 392 D HN 0.055 nan 8.370 nan 0.000 0.462 393 L N 3.801 124.966 121.223 -0.096 0.000 2.376 393 L HA 0.175 4.516 4.340 0.001 0.000 0.250 393 L C 1.171 178.011 176.870 -0.051 0.000 1.335 393 L CA -0.051 54.568 54.840 -0.369 0.000 1.214 393 L CB -0.606 41.203 42.059 -0.417 0.000 1.395 393 L HN 0.502 nan 8.230 nan 0.000 0.424 394 H N -0.291 118.907 119.070 0.214 0.000 2.395 394 H HA -0.030 4.526 4.556 0.001 0.000 0.299 394 H C 2.056 177.411 175.328 0.044 0.000 1.070 394 H CA 0.900 57.020 56.048 0.120 0.000 1.356 394 H CB 0.009 29.847 29.762 0.127 0.000 1.401 394 H HN 0.439 nan 8.280 nan 0.000 0.524 395 A N 0.537 123.124 122.820 -0.389 0.000 2.076 395 A HA -0.055 4.266 4.320 0.001 0.000 0.220 395 A C 1.051 178.304 177.584 -0.551 0.000 1.160 395 A CA 1.049 52.810 52.037 -0.459 0.000 0.653 395 A CB -0.851 17.759 19.000 -0.650 0.000 0.801 395 A HN 0.520 nan 8.150 nan 0.000 0.455 396 F N -0.216 119.704 119.950 -0.050 0.000 2.708 396 F HA 0.166 4.694 4.527 0.001 0.000 0.300 396 F C 1.590 177.318 175.800 -0.119 0.000 1.118 396 F CA 0.157 58.101 58.000 -0.093 0.000 1.307 396 F CB 0.180 39.091 39.000 -0.148 0.000 0.986 396 F HN 0.435 nan 8.300 nan 0.000 0.522 397 E N -0.567 119.645 120.200 0.019 0.000 2.338 397 E HA -0.159 4.192 4.350 0.001 0.000 0.197 397 E C 0.831 177.403 176.600 -0.047 0.000 1.007 397 E CA 1.165 57.546 56.400 -0.031 0.000 0.849 397 E CB -0.191 29.504 29.700 -0.007 0.000 0.774 397 E HN 0.235 nan 8.360 nan 0.000 0.506 398 N N 0.445 119.138 118.700 -0.012 0.000 2.236 398 N HA 0.135 4.875 4.740 0.001 0.000 0.196 398 N C -0.128 175.378 175.510 -0.008 0.000 1.114 398 N CA -0.081 52.959 53.050 -0.015 0.000 0.859 398 N CB 0.416 38.903 38.487 -0.000 0.000 0.982 398 N HN 0.197 nan 8.380 nan 0.000 0.493 399 L N 1.425 122.654 121.223 0.011 0.000 2.562 399 L HA -0.017 4.324 4.340 0.001 0.000 0.271 399 L C 0.933 177.766 176.870 -0.063 0.000 1.167 399 L CA 0.424 55.266 54.840 0.003 0.000 0.917 399 L CB 0.563 42.630 42.059 0.013 0.000 1.187 399 L HN 0.172 nan 8.230 nan 0.000 0.482 400 E N 4.907 125.083 120.200 -0.039 0.000 2.206 400 E HA 0.240 4.591 4.350 0.001 0.000 0.195 400 E C -0.251 176.332 176.600 -0.030 0.000 0.935 400 E CA 0.330 56.703 56.400 -0.045 0.000 0.875 400 E CB 0.689 30.374 29.700 -0.025 0.000 0.841 400 E HN 0.536 nan 8.360 nan 0.000 0.477 401 I N 1.606 122.169 120.570 -0.012 0.000 2.582 401 I HA 0.350 4.520 4.170 0.001 0.000 0.292 401 I C -0.879 175.240 176.117 0.005 0.000 1.066 401 I CA -0.704 60.600 61.300 0.007 0.000 1.053 401 I CB 2.495 40.505 38.000 0.017 0.000 1.241 401 I HN -0.081 nan 8.210 nan 0.000 0.421 402 I N 5.780 126.364 120.570 0.024 0.000 2.390 402 I HA 0.353 4.524 4.170 0.001 0.000 0.283 402 I C 1.150 177.294 176.117 0.045 0.000 1.016 402 I CA -0.656 60.658 61.300 0.023 0.000 1.151 402 I CB 1.403 39.421 38.000 0.029 0.000 1.293 402 I HN 0.590 nan 8.210 nan 0.000 0.458 403 R N 3.976 124.490 120.500 0.024 0.000 2.092 403 R HA -0.010 4.330 4.340 0.001 0.000 0.231 403 R C 1.470 177.786 176.300 0.027 0.000 1.119 403 R CA 1.080 57.191 56.100 0.018 0.000 0.970 403 R CB -0.224 30.064 30.300 -0.020 0.000 0.864 403 R HN 0.997 nan 8.270 nan 0.000 0.440 404 G N 1.386 110.208 108.800 0.037 0.000 2.176 404 G HA2 -0.331 3.629 3.960 0.001 0.000 0.252 404 G HA3 -0.331 3.629 3.960 0.001 0.000 0.252 404 G C 0.786 175.711 174.900 0.042 0.000 1.024 404 G CA 0.697 45.837 45.100 0.067 0.000 0.755 404 G HN 0.335 nan 8.290 nan 0.000 0.507 405 R N -0.136 120.338 120.500 -0.043 0.000 2.200 405 R HA -0.019 4.321 4.340 0.001 0.000 0.234 405 R C 1.199 177.505 176.300 0.010 0.000 1.127 405 R CA 1.646 57.641 56.100 -0.175 0.000 0.989 405 R CB -0.208 29.836 30.300 -0.427 0.000 0.869 405 R HN 0.751 nan 8.270 nan 0.000 0.459 406 T N -1.215 113.395 114.554 0.093 0.000 2.916 406 T HA 0.522 4.873 4.350 0.001 0.000 0.298 406 T C -0.880 173.984 174.700 0.273 0.000 1.031 406 T CA -1.135 61.074 62.100 0.182 0.000 0.993 406 T CB 2.710 71.708 68.868 0.216 0.000 1.045 406 T HN -0.091 nan 8.240 nan 0.000 0.454 407 K N 1.409 121.848 120.400 0.066 0.000 2.328 407 K HA 0.581 4.902 4.320 0.001 0.000 0.246 407 K C -0.643 175.560 176.600 -0.663 0.000 0.955 407 K CA -1.142 55.002 56.287 -0.238 0.000 0.817 407 K CB 1.872 34.267 32.500 -0.175 0.000 1.208 407 K HN 0.528 nan 8.250 nan 0.000 0.432 408 Q N 1.450 120.496 119.800 -1.256 0.000 2.274 408 Q HA -0.017 4.323 4.340 0.001 0.000 0.280 408 Q C -0.658 175.021 176.000 -0.535 0.000 1.047 408 Q CA 1.224 56.370 55.803 -1.094 0.000 0.907 408 Q CB -0.269 27.839 28.738 -1.051 0.000 1.171 408 Q HN 0.750 nan 8.270 nan 0.000 0.381 409 H N 2.220 121.186 119.070 -0.175 0.000 3.329 409 H HA -0.274 4.283 4.556 0.001 0.000 0.245 409 H C 0.863 176.098 175.328 -0.155 0.000 1.099 409 H CA 0.596 56.573 56.048 -0.117 0.000 1.186 409 H CB -1.561 28.161 29.762 -0.067 0.000 1.243 409 H HN 1.042 nan 8.280 nan 0.000 0.319 410 G N -0.008 108.724 108.800 -0.112 0.000 2.143 410 G HA2 -0.387 3.573 3.960 0.001 0.000 0.248 410 G HA3 -0.387 3.573 3.960 0.001 0.000 0.248 410 G C 0.468 175.262 174.900 -0.178 0.000 0.991 410 G CA 1.151 46.184 45.100 -0.111 0.000 0.689 410 G HN 0.682 nan 8.290 nan 0.000 0.522 411 Q N -1.539 118.091 119.800 -0.283 0.000 2.599 411 Q HA 0.458 4.798 4.340 0.001 0.000 0.229 411 Q C 0.163 175.830 176.000 -0.555 0.000 0.800 411 Q CA -0.284 55.225 55.803 -0.490 0.000 0.937 411 Q CB 0.611 28.891 28.738 -0.764 0.000 1.285 411 Q HN 0.391 nan 8.270 nan 0.000 0.600 412 F N 1.852 121.667 119.950 -0.226 0.000 2.411 412 F HA 0.239 4.766 4.527 0.001 0.000 0.350 412 F C 1.102 176.757 175.800 -0.242 0.000 1.114 412 F CA -0.249 57.617 58.000 -0.223 0.000 1.135 412 F CB 1.806 40.673 39.000 -0.222 0.000 1.120 412 F HN 0.159 nan 8.300 nan 0.000 0.495 413 S N 2.209 117.949 115.700 0.066 0.000 2.503 413 S HA 0.260 4.730 4.470 0.001 0.000 0.215 413 S C -0.160 174.524 174.600 0.140 0.000 1.003 413 S CA -0.118 58.152 58.200 0.116 0.000 0.910 413 S CB 0.271 63.530 63.200 0.098 0.000 0.790 413 S HN 0.435 nan 8.310 nan 0.000 0.514 414 L N 1.359 122.642 121.223 0.100 0.000 2.482 414 L HA 0.802 5.142 4.340 0.001 0.000 0.269 414 L C -1.342 175.510 176.870 -0.030 0.000 0.967 414 L CA -0.795 54.067 54.840 0.036 0.000 0.851 414 L CB 1.441 43.530 42.059 0.050 0.000 1.242 414 L HN 0.163 nan 8.230 nan 0.000 0.404 415 A N 5.062 127.840 122.820 -0.070 0.000 2.375 415 A HA 0.772 5.092 4.320 0.001 0.000 0.291 415 A C -1.487 176.026 177.584 -0.118 0.000 1.160 415 A CA -0.465 51.484 52.037 -0.146 0.000 0.747 415 A CB 1.363 20.251 19.000 -0.187 0.000 1.170 415 A HN 0.498 nan 8.150 nan 0.000 0.458 416 V N 3.895 123.738 119.914 -0.118 0.000 2.325 416 V HA 0.580 4.701 4.120 0.001 0.000 0.280 416 V C -0.079 175.973 176.094 -0.070 0.000 1.016 416 V CA -0.474 61.776 62.300 -0.084 0.000 0.818 416 V CB 0.672 32.454 31.823 -0.068 0.000 1.019 416 V HN 1.077 nan 8.190 nan 0.000 0.434 417 V N 0.909 120.794 119.914 -0.049 0.000 3.078 417 V HA 0.814 4.935 4.120 0.001 0.000 0.311 417 V C 0.236 176.333 176.094 0.004 0.000 1.138 417 V CA -0.759 61.518 62.300 -0.039 0.000 1.007 417 V CB 1.854 33.636 31.823 -0.069 0.000 1.045 417 V HN 0.792 nan 8.190 nan 0.000 0.432 418 S N 1.517 117.222 115.700 0.008 0.000 3.706 418 S HA -0.125 4.345 4.470 0.001 0.000 0.363 418 S C -0.358 174.275 174.600 0.056 0.000 0.999 418 S CA 0.940 59.158 58.200 0.029 0.000 1.143 418 S CB -1.810 61.410 63.200 0.034 0.000 0.902 418 S HN 0.780 nan 8.310 nan 0.000 0.476 419 L N 0.392 121.647 121.223 0.053 0.000 2.323 419 L HA 0.555 4.895 4.340 0.001 0.000 0.265 419 L C 1.005 177.919 176.870 0.073 0.000 1.012 419 L CA -0.854 54.034 54.840 0.081 0.000 0.820 419 L CB 1.324 43.428 42.059 0.075 0.000 1.334 419 L HN 0.109 nan 8.230 nan 0.000 0.427 420 N N 0.809 119.567 118.700 0.095 0.000 2.268 420 N HA 0.238 4.979 4.740 0.001 0.000 0.204 420 N C 0.055 175.623 175.510 0.096 0.000 1.124 420 N CA -0.139 52.960 53.050 0.082 0.000 0.838 420 N CB -0.020 38.511 38.487 0.073 0.000 0.994 420 N HN 0.385 nan 8.380 nan 0.000 0.489 421 I N -0.000 120.631 120.570 0.101 0.000 2.892 421 I HA -0.030 4.141 4.170 0.001 0.000 0.287 421 I C 1.664 177.842 176.117 0.102 0.000 1.205 421 I CA 0.202 61.563 61.300 0.101 0.000 1.409 421 I CB 0.882 38.907 38.000 0.042 0.000 1.367 421 I HN 0.145 nan 8.210 nan 0.000 0.597 422 T N -0.825 113.804 114.554 0.123 0.000 3.014 422 T HA 0.110 4.460 4.350 0.001 0.000 0.250 422 T C 0.543 175.393 174.700 0.250 0.000 1.060 422 T CA -0.072 62.124 62.100 0.159 0.000 1.040 422 T CB 0.316 69.276 68.868 0.154 0.000 0.971 422 T HN 0.535 nan 8.240 nan 0.000 0.497 423 S N -0.633 115.179 115.700 0.185 0.000 2.566 423 S HA 0.536 5.006 4.470 0.001 0.000 0.273 423 S C 0.470 175.137 174.600 0.112 0.000 1.157 423 S CA -0.831 57.476 58.200 0.177 0.000 0.938 423 S CB 1.101 64.272 63.200 -0.048 0.000 1.087 423 S HN 0.263 nan 8.310 nan 0.000 0.474 424 L N 3.696 125.024 121.223 0.176 0.000 1.951 424 L HA 0.040 4.380 4.340 0.001 0.000 0.222 424 L C 2.049 178.964 176.870 0.075 0.000 1.078 424 L CA 1.727 56.669 54.840 0.170 0.000 0.778 424 L CB -0.705 41.604 42.059 0.415 0.000 0.893 424 L HN 1.143 nan 8.230 nan 0.000 0.436 425 G N -0.684 108.184 108.800 0.113 0.000 2.132 425 G HA2 -0.253 3.707 3.960 0.001 0.000 0.228 425 G HA3 -0.253 3.707 3.960 0.001 0.000 0.228 425 G C 0.169 174.987 174.900 -0.136 0.000 1.000 425 G CA -0.044 45.060 45.100 0.008 0.000 0.693 425 G HN 0.254 nan 8.290 nan 0.000 0.515 426 L N 1.066 122.077 121.223 -0.353 0.000 2.648 426 L HA 0.265 4.606 4.340 0.001 0.000 0.238 426 L C 2.131 178.321 176.870 -1.133 0.000 1.316 426 L CA -0.181 54.225 54.840 -0.724 0.000 1.241 426 L CB -0.125 41.378 42.059 -0.926 0.000 1.499 426 L HN 0.441 nan 8.230 nan 0.000 0.411 427 R N -2.090 118.065 120.500 -0.576 0.000 2.339 427 R HA 0.027 4.368 4.340 0.001 0.000 0.199 427 R C 0.979 177.100 176.300 -0.298 0.000 1.018 427 R CA 0.536 56.398 56.100 -0.396 0.000 1.036 427 R CB -0.104 30.125 30.300 -0.119 0.000 0.899 427 R HN 0.250 nan 8.270 nan 0.000 0.473 428 S N 0.413 115.916 115.700 -0.328 0.000 2.526 428 S HA 0.130 4.600 4.470 0.001 0.000 0.220 428 S C 0.134 174.611 174.600 -0.204 0.000 1.017 428 S CA -0.602 57.481 58.200 -0.195 0.000 0.930 428 S CB 0.243 63.368 63.200 -0.125 0.000 0.856 428 S HN 0.157 nan 8.310 nan 0.000 0.497 429 L N 3.299 124.310 121.223 -0.354 0.000 2.597 429 L HA 0.139 4.480 4.340 0.001 0.000 0.271 429 L C 0.831 177.636 176.870 -0.109 0.000 1.157 429 L CA 0.663 55.346 54.840 -0.262 0.000 0.928 429 L CB 0.213 42.012 42.059 -0.434 0.000 1.216 429 L HN -0.142 nan 8.230 nan 0.000 0.481 430 K N 3.242 123.617 120.400 -0.041 0.000 2.399 430 K HA 0.249 4.569 4.320 0.001 0.000 0.196 430 K C -0.033 176.583 176.600 0.027 0.000 1.117 430 K CA 0.320 56.608 56.287 0.002 0.000 0.965 430 K CB 0.597 33.095 32.500 -0.004 0.000 0.983 430 K HN 0.706 nan 8.250 nan 0.000 0.531 431 E N 0.467 120.690 120.200 0.038 0.000 2.321 431 E HA 0.297 4.647 4.350 0.001 0.000 0.281 431 E C -1.357 175.307 176.600 0.105 0.000 0.910 431 E CA -0.295 56.147 56.400 0.071 0.000 0.770 431 E CB 1.649 31.385 29.700 0.061 0.000 1.225 431 E HN -0.071 nan 8.360 nan 0.000 0.417 432 I N 4.390 125.066 120.570 0.175 0.000 2.442 432 I HA 0.121 4.291 4.170 0.001 0.000 0.279 432 I C 1.077 177.333 176.117 0.232 0.000 1.081 432 I CA -0.256 61.180 61.300 0.227 0.000 1.197 432 I CB 1.136 39.353 38.000 0.362 0.000 1.394 432 I HN 0.516 nan 8.210 nan 0.000 0.488 433 S N 2.560 118.347 115.700 0.144 0.000 2.389 433 S HA -0.204 4.266 4.470 0.001 0.000 0.231 433 S C 0.602 175.270 174.600 0.113 0.000 1.052 433 S CA 1.666 59.936 58.200 0.117 0.000 1.053 433 S CB -0.160 63.086 63.200 0.076 0.000 0.886 433 S HN 0.762 nan 8.310 nan 0.000 0.456 434 D N -2.659 117.799 120.400 0.096 0.000 2.665 434 D HA 0.524 5.164 4.640 0.001 0.000 0.287 434 D C -0.307 175.997 176.300 0.007 0.000 1.266 434 D CA 0.821 54.845 54.000 0.040 0.000 0.830 434 D CB 1.202 42.031 40.800 0.048 0.000 1.356 434 D HN 0.385 nan 8.370 nan 0.000 0.437 435 G N 0.776 109.532 108.800 -0.074 0.000 2.746 435 G HA2 0.025 3.986 3.960 0.001 0.000 0.685 435 G HA3 0.025 3.986 3.960 0.001 0.000 0.685 435 G C -1.172 173.615 174.900 -0.188 0.000 1.350 435 G CA -0.358 44.672 45.100 -0.117 0.000 0.837 435 G HN 0.525 nan 8.290 nan 0.000 0.564 436 D N -1.098 119.183 120.400 -0.198 0.000 2.277 436 D HA 0.590 5.231 4.640 0.001 0.000 0.250 436 D C 0.246 176.614 176.300 0.114 0.000 1.032 436 D CA -0.250 53.661 54.000 -0.148 0.000 0.947 436 D CB 1.834 42.490 40.800 -0.240 0.000 1.159 436 D HN 0.453 nan 8.370 nan 0.000 0.460 437 V N 2.192 122.148 119.914 0.070 0.000 2.370 437 V HA 0.380 4.501 4.120 0.001 0.000 0.283 437 V C -0.000 176.035 176.094 -0.099 0.000 1.023 437 V CA -0.743 61.545 62.300 -0.020 0.000 0.857 437 V CB 1.449 33.135 31.823 -0.228 0.000 0.985 437 V HN 0.416 nan 8.190 nan 0.000 0.443 438 I N 6.786 127.255 120.570 -0.168 0.000 2.410 438 I HA 0.554 4.725 4.170 0.001 0.000 0.286 438 I C -1.044 174.926 176.117 -0.245 0.000 1.009 438 I CA -0.558 60.572 61.300 -0.283 0.000 1.111 438 I CB 1.025 38.650 38.000 -0.624 0.000 1.262 438 I HN 0.572 nan 8.210 nan 0.000 0.443 439 I N 7.064 127.517 120.570 -0.195 0.000 2.595 439 I HA 0.373 4.543 4.170 0.001 0.000 0.275 439 I C -0.427 175.640 176.117 -0.083 0.000 1.092 439 I CA 0.008 61.237 61.300 -0.118 0.000 1.145 439 I CB 1.042 39.003 38.000 -0.065 0.000 1.276 439 I HN 0.445 nan 8.210 nan 0.000 0.497 440 S N 2.035 117.682 115.700 -0.088 0.000 2.851 440 S HA 0.718 5.189 4.470 0.001 0.000 0.313 440 S C 0.850 175.424 174.600 -0.043 0.000 1.163 440 S CA -0.095 58.067 58.200 -0.063 0.000 0.850 440 S CB 1.703 64.854 63.200 -0.082 0.000 1.245 440 S HN 0.891 nan 8.310 nan 0.000 0.558 441 G N 1.751 110.532 108.800 -0.031 0.000 2.233 441 G HA2 -0.227 3.734 3.960 0.001 0.000 0.270 441 G HA3 -0.227 3.734 3.960 0.001 0.000 0.270 441 G C -0.511 174.388 174.900 -0.002 0.000 1.011 441 G CA 0.024 45.114 45.100 -0.016 0.000 0.762 441 G HN 0.509 nan 8.290 nan 0.000 0.511 442 N N 0.305 119.006 118.700 0.001 0.000 2.546 442 N HA 0.293 5.033 4.740 0.001 0.000 0.238 442 N C 1.310 176.831 175.510 0.018 0.000 0.984 442 N CA -0.219 52.840 53.050 0.016 0.000 0.935 442 N CB 1.310 39.810 38.487 0.022 0.000 1.122 442 N HN 0.384 nan 8.380 nan 0.000 0.510 443 K N 1.102 121.514 120.400 0.020 0.000 1.991 443 K HA -0.042 4.278 4.320 0.001 0.000 0.212 443 K C 0.357 176.968 176.600 0.019 0.000 1.049 443 K CA 1.051 57.348 56.287 0.017 0.000 0.932 443 K CB 0.117 32.628 32.500 0.018 0.000 0.717 443 K HN 0.341 nan 8.250 nan 0.000 0.441 444 N N 1.124 119.844 118.700 0.032 0.000 2.455 444 N HA 0.072 4.813 4.740 0.001 0.000 0.258 444 N C -0.958 174.585 175.510 0.056 0.000 1.158 444 N CA 0.023 53.096 53.050 0.039 0.000 0.893 444 N CB 0.316 38.833 38.487 0.050 0.000 1.173 444 N HN 0.008 nan 8.380 nan 0.000 0.503 445 L N 0.506 121.757 121.223 0.046 0.000 2.287 445 L HA 0.287 4.627 4.340 0.001 0.000 0.287 445 L C 0.408 177.286 176.870 0.014 0.000 1.022 445 L CA -0.208 54.675 54.840 0.073 0.000 0.814 445 L CB 1.182 43.288 42.059 0.080 0.000 1.217 445 L HN 0.097 nan 8.230 nan 0.000 0.420 446 c N 3.055 121.630 118.600 -0.041 0.000 3.559 446 c HA 0.230 4.800 4.570 0.001 0.000 0.314 446 c C 1.063 174.919 174.090 -0.391 0.000 1.419 446 c CA -0.249 55.915 56.329 -0.274 0.000 1.775 446 c CB -0.716 41.517 42.510 -0.463 0.000 2.430 446 c HN 0.826 nan 8.230 nan 0.000 0.686 447 Y N 0.669 120.979 120.300 0.017 0.000 2.481 447 Y HA 0.426 4.976 4.550 0.001 0.000 0.247 447 Y C 2.296 178.175 175.900 -0.036 0.000 1.151 447 Y CA 0.534 58.624 58.100 -0.018 0.000 1.238 447 Y CB -0.530 37.926 38.460 -0.008 0.000 1.179 447 Y HN 0.175 nan 8.280 nan 0.000 0.524 448 A N 1.774 124.687 122.820 0.156 0.000 1.865 448 A HA -0.271 4.049 4.320 0.001 0.000 0.217 448 A C 1.878 179.587 177.584 0.209 0.000 1.191 448 A CA 2.251 54.410 52.037 0.203 0.000 0.623 448 A CB -0.846 18.271 19.000 0.196 0.000 0.826 448 A HN 0.582 nan 8.150 nan 0.000 0.444 449 N N 0.071 118.849 118.700 0.129 0.000 2.521 449 N HA -0.066 4.674 4.740 0.001 0.000 0.188 449 N C 1.053 176.587 175.510 0.041 0.000 1.146 449 N CA 1.615 54.748 53.050 0.137 0.000 0.893 449 N CB -1.035 37.496 38.487 0.074 0.000 0.975 449 N HN 0.509 nan 8.380 nan 0.000 0.451 450 T N -2.589 111.933 114.554 -0.053 0.000 3.014 450 T HA 0.178 4.528 4.350 0.001 0.000 0.263 450 T C 0.644 175.182 174.700 -0.270 0.000 1.078 450 T CA -0.113 61.910 62.100 -0.129 0.000 1.135 450 T CB -0.298 68.502 68.868 -0.112 0.000 0.895 450 T HN 0.019 nan 8.240 nan 0.000 0.480 451 I N 3.396 123.672 120.570 -0.491 0.000 2.556 451 I HA 0.207 4.377 4.170 0.001 0.000 0.284 451 I C 0.497 176.193 176.117 -0.702 0.000 1.114 451 I CA -0.430 60.358 61.300 -0.854 0.000 1.418 451 I CB 0.430 37.423 38.000 -1.680 0.000 1.394 451 I HN 0.143 nan 8.210 nan 0.000 0.552 452 N N 5.675 124.073 118.700 -0.505 0.000 2.466 452 N HA 0.016 4.756 4.740 0.001 0.000 0.263 452 N C 0.324 175.622 175.510 -0.352 0.000 1.178 452 N CA -0.014 52.858 53.050 -0.296 0.000 0.983 452 N CB 0.103 38.479 38.487 -0.184 0.000 1.331 452 N HN 0.480 nan 8.380 nan 0.000 0.500 453 W N 2.475 123.621 121.300 -0.258 0.000 2.425 453 W HA 0.015 4.675 4.660 0.001 0.000 0.277 453 W C 2.147 178.160 176.519 -0.842 0.000 1.231 453 W CA 0.216 57.248 57.345 -0.522 0.000 1.248 453 W CB 0.056 29.266 29.460 -0.417 0.000 1.117 453 W HN 0.488 nan 8.180 nan 0.000 0.568 454 K N 1.794 122.108 120.400 -0.142 0.000 2.152 454 K HA -0.274 4.046 4.320 0.001 0.000 0.206 454 K C 2.061 178.633 176.600 -0.047 0.000 1.048 454 K CA 1.748 58.051 56.287 0.026 0.000 0.933 454 K CB -0.285 32.291 32.500 0.127 0.000 0.721 454 K HN 0.125 nan 8.250 nan 0.000 0.447 455 K N 0.761 121.094 120.400 -0.111 0.000 2.148 455 K HA -0.118 4.203 4.320 0.001 0.000 0.204 455 K C 1.910 178.463 176.600 -0.078 0.000 1.050 455 K CA 1.126 57.368 56.287 -0.076 0.000 0.942 455 K CB -0.016 32.428 32.500 -0.093 0.000 0.724 455 K HN 0.196 nan 8.250 nan 0.000 0.446 456 L N 0.637 121.748 121.223 -0.187 0.000 2.240 456 L HA 0.060 4.401 4.340 0.001 0.000 0.211 456 L C 0.545 177.427 176.870 0.020 0.000 1.106 456 L CA -0.226 54.551 54.840 -0.105 0.000 0.793 456 L CB -0.204 41.794 42.059 -0.101 0.000 0.927 456 L HN -0.003 nan 8.230 nan 0.000 0.446 457 F N -0.126 119.906 119.950 0.137 0.000 2.440 457 F HA 0.339 4.866 4.527 0.001 0.000 0.323 457 F C 1.394 177.237 175.800 0.071 0.000 1.192 457 F CA -0.477 57.587 58.000 0.106 0.000 1.252 457 F CB 0.281 39.340 39.000 0.100 0.000 1.214 457 F HN -0.215 nan 8.300 nan 0.000 0.578 458 G N -0.547 108.419 108.800 0.277 0.000 3.581 458 G HA2 0.249 4.209 3.960 0.001 0.000 0.248 458 G HA3 0.249 4.209 3.960 0.001 0.000 0.248 458 G C -0.190 174.768 174.900 0.096 0.000 1.037 458 G CA -0.000 45.190 45.100 0.150 0.000 0.902 458 G HN 0.589 nan 8.290 nan 0.000 0.512 459 T N 0.321 114.922 114.554 0.078 0.000 2.907 459 T HA 0.561 4.912 4.350 0.001 0.000 0.290 459 T C -0.187 174.510 174.700 -0.004 0.000 1.066 459 T CA -0.387 61.725 62.100 0.020 0.000 1.012 459 T CB 1.807 70.671 68.868 -0.006 0.000 1.184 459 T HN -0.044 nan 8.240 nan 0.000 0.522 460 S N 0.775 116.461 115.700 -0.023 0.000 2.549 460 S HA 0.462 4.932 4.470 0.001 0.000 0.279 460 S C 1.341 175.899 174.600 -0.070 0.000 1.321 460 S CA 0.439 58.620 58.200 -0.032 0.000 1.054 460 S CB 0.391 63.573 63.200 -0.030 0.000 0.899 460 S HN 1.321 nan 8.310 nan 0.000 0.497 461 G N 2.496 111.253 108.800 -0.071 0.000 2.160 461 G HA2 -0.235 3.725 3.960 0.001 0.000 0.251 461 G HA3 -0.235 3.725 3.960 0.001 0.000 0.251 461 G C -0.155 174.631 174.900 -0.191 0.000 1.008 461 G CA -0.268 44.770 45.100 -0.103 0.000 0.724 461 G HN 0.709 nan 8.290 nan 0.000 0.514 462 Q N 0.189 119.816 119.800 -0.290 0.000 2.281 462 Q HA 0.364 4.704 4.340 0.001 0.000 0.267 462 Q C 0.592 176.224 176.000 -0.613 0.000 1.053 462 Q CA 0.474 55.912 55.803 -0.609 0.000 0.905 462 Q CB 0.670 28.753 28.738 -1.093 0.000 1.195 462 Q HN 0.494 nan 8.270 nan 0.000 0.398 463 K N 0.980 121.126 120.400 -0.423 0.000 2.132 463 K HA 0.469 4.789 4.320 0.001 0.000 0.241 463 K C -0.152 176.374 176.600 -0.123 0.000 1.000 463 K CA -0.506 55.662 56.287 -0.198 0.000 0.911 463 K CB 1.398 33.822 32.500 -0.127 0.000 1.093 463 K HN 0.336 nan 8.250 nan 0.000 0.460 464 T N 0.587 115.135 114.554 -0.010 0.000 3.050 464 T HA 0.203 4.554 4.350 0.001 0.000 0.310 464 T C -1.540 173.117 174.700 -0.072 0.000 0.978 464 T CA -0.779 61.291 62.100 -0.051 0.000 1.013 464 T CB 0.386 69.219 68.868 -0.058 0.000 1.000 464 T HN 0.454 nan 8.240 nan 0.000 0.447 465 K N 6.203 126.556 120.400 -0.079 0.000 2.354 465 K HA 0.509 4.829 4.320 0.001 0.000 0.257 465 K C -0.704 175.827 176.600 -0.114 0.000 1.062 465 K CA -0.555 55.694 56.287 -0.063 0.000 0.971 465 K CB 0.217 32.708 32.500 -0.016 0.000 1.305 465 K HN 0.642 nan 8.250 nan 0.000 0.449 466 I N 7.830 128.347 120.570 -0.089 0.000 2.502 466 I HA 0.287 4.457 4.170 0.001 0.000 0.276 466 I C -0.146 175.951 176.117 -0.034 0.000 1.057 466 I CA -0.673 60.585 61.300 -0.070 0.000 1.163 466 I CB 0.477 38.450 38.000 -0.045 0.000 1.288 466 I HN 0.468 nan 8.210 nan 0.000 0.479 467 I N 0.226 120.772 120.570 -0.039 0.000 3.108 467 I HA 0.596 4.767 4.170 0.001 0.000 0.312 467 I C 0.491 176.594 176.117 -0.024 0.000 1.095 467 I CA -0.879 60.406 61.300 -0.026 0.000 1.000 467 I CB 2.124 40.107 38.000 -0.027 0.000 1.229 467 I HN 0.337 nan 8.210 nan 0.000 0.454 468 S N 1.732 117.422 115.700 -0.017 0.000 3.614 468 S HA -0.170 4.301 4.470 0.001 0.000 0.360 468 S C -0.380 174.214 174.600 -0.010 0.000 1.023 468 S CA 0.602 58.793 58.200 -0.014 0.000 1.114 468 S CB -1.951 61.239 63.200 -0.017 0.000 0.907 468 S HN 0.755 nan 8.310 nan 0.000 0.470 469 N N 1.635 120.331 118.700 -0.007 0.000 2.816 469 N HA 0.269 5.010 4.740 0.001 0.000 0.236 469 N C -0.052 175.453 175.510 -0.009 0.000 1.076 469 N CA -0.599 52.450 53.050 -0.002 0.000 0.902 469 N CB 0.945 39.437 38.487 0.008 0.000 1.149 469 N HN 0.242 nan 8.380 nan 0.000 0.506 470 R N 1.146 121.640 120.500 -0.009 0.000 2.549 470 R HA 0.205 4.546 4.340 0.001 0.000 0.336 470 R C 0.614 176.897 176.300 -0.028 0.000 0.891 470 R CA 0.666 56.758 56.100 -0.015 0.000 1.102 470 R CB -0.740 29.554 30.300 -0.009 0.000 0.899 470 R HN 0.708 nan 8.270 nan 0.000 0.407 471 G N 3.561 112.339 108.800 -0.036 0.000 2.565 471 G HA2 -0.109 3.852 3.960 0.001 0.000 0.229 471 G HA3 -0.109 3.852 3.960 0.001 0.000 0.229 471 G C 0.022 174.881 174.900 -0.067 0.000 1.242 471 G CA -0.010 45.056 45.100 -0.057 0.000 1.055 471 G HN 0.584 nan 8.290 nan 0.000 0.604 472 E N 0.959 121.129 120.200 -0.049 0.000 2.166 472 E HA 0.037 4.387 4.350 0.001 0.000 0.192 472 E C 1.921 178.491 176.600 -0.050 0.000 0.967 472 E CA 1.870 58.242 56.400 -0.048 0.000 0.840 472 E CB 0.092 29.774 29.700 -0.031 0.000 0.795 472 E HN 0.510 nan 8.360 nan 0.000 0.470 473 N N -1.213 117.461 118.700 -0.042 0.000 2.166 473 N HA 0.086 4.826 4.740 0.001 0.000 0.213 473 N C 1.173 176.660 175.510 -0.039 0.000 1.222 473 N CA 0.650 53.677 53.050 -0.039 0.000 0.900 473 N CB -0.154 38.316 38.487 -0.029 0.000 1.055 473 N HN 0.037 nan 8.380 nan 0.000 0.515 474 S N -0.283 115.392 115.700 -0.041 0.000 2.395 474 S HA 0.026 4.496 4.470 0.001 0.000 0.225 474 S C 1.625 176.195 174.600 -0.050 0.000 1.027 474 S CA 0.660 58.837 58.200 -0.038 0.000 0.965 474 S CB -0.568 62.614 63.200 -0.031 0.000 0.812 474 S HN 0.476 nan 8.310 nan 0.000 0.482 475 c N 2.506 121.060 118.600 -0.075 0.000 2.446 475 c HA 0.019 4.589 4.570 0.001 0.000 0.277 475 c C 2.665 176.695 174.090 -0.099 0.000 1.275 475 c CA 1.232 57.494 56.329 -0.111 0.000 1.727 475 c CB -1.050 41.346 42.510 -0.190 0.000 2.010 475 c HN 0.821 nan 8.230 nan 0.000 0.486 476 K N 1.734 122.083 120.400 -0.085 0.000 2.283 476 K HA -0.018 4.302 4.320 0.001 0.000 0.202 476 K C 1.866 178.441 176.600 -0.042 0.000 1.048 476 K CA 1.668 57.917 56.287 -0.064 0.000 0.948 476 K CB -0.273 32.194 32.500 -0.054 0.000 0.742 476 K HN 0.367 nan 8.250 nan 0.000 0.458 477 A N 1.352 124.149 122.820 -0.038 0.000 1.968 477 A HA -0.043 4.278 4.320 0.001 0.000 0.217 477 A C 1.797 179.369 177.584 -0.020 0.000 1.169 477 A CA 1.537 53.559 52.037 -0.026 0.000 0.638 477 A CB -0.632 18.354 19.000 -0.023 0.000 0.812 477 A HN 0.415 nan 8.150 nan 0.000 0.446 478 T N -0.381 114.159 114.554 -0.024 0.000 3.188 478 T HA 0.386 4.736 4.350 0.001 0.000 0.250 478 T C 1.163 175.861 174.700 -0.004 0.000 1.077 478 T CA 0.576 62.669 62.100 -0.011 0.000 0.967 478 T CB -0.171 68.691 68.868 -0.010 0.000 1.006 478 T HN 1.329 nan 8.240 nan 0.000 0.552 479 G N 2.520 111.312 108.800 -0.013 0.000 2.305 479 G HA2 -0.281 3.679 3.960 0.001 0.000 0.287 479 G HA3 -0.281 3.679 3.960 0.001 0.000 0.287 479 G C 0.064 174.974 174.900 0.016 0.000 1.036 479 G CA -0.214 44.886 45.100 -0.001 0.000 0.887 479 G HN 0.608 nan 8.290 nan 0.000 0.505 480 Q N -0.364 119.420 119.800 -0.027 0.000 2.819 480 Q HA 0.448 4.788 4.340 0.001 0.000 0.392 480 Q C 0.767 176.654 176.000 -0.187 0.000 1.088 480 Q CA 0.018 55.794 55.803 -0.044 0.000 1.062 480 Q CB 0.940 29.603 28.738 -0.124 0.000 1.369 480 Q HN 0.790 nan 8.270 nan 0.000 0.434 481 V N -3.603 116.305 119.914 -0.011 0.000 3.284 481 V HA 0.515 4.636 4.120 0.001 0.000 0.309 481 V C 0.421 176.619 176.094 0.173 0.000 1.190 481 V CA -1.149 61.153 62.300 0.003 0.000 1.038 481 V CB 1.154 32.963 31.823 -0.024 0.000 1.198 481 V HN 0.299 nan 8.190 nan 0.000 0.465 482 c N 1.889 120.566 118.600 0.127 0.000 2.657 482 c HA 0.210 4.781 4.570 0.001 0.000 0.420 482 c C 0.990 175.149 174.090 0.115 0.000 1.323 482 c CA -0.018 56.392 56.329 0.134 0.000 1.894 482 c CB -1.669 40.875 42.510 0.056 0.000 2.681 482 c HN 1.033 nan 8.230 nan 0.000 0.613 483 H N 1.170 120.264 119.070 0.040 0.000 2.830 483 H HA 0.066 4.623 4.556 0.001 0.000 0.382 483 H C 1.078 176.411 175.328 0.007 0.000 1.423 483 H CA 0.782 56.843 56.048 0.022 0.000 1.464 483 H CB 0.713 30.481 29.762 0.010 0.000 1.495 483 H HN 0.761 nan 8.280 nan 0.000 0.617 484 A N 3.190 125.641 122.820 -0.615 0.000 2.119 484 A HA 0.008 4.328 4.320 0.001 0.000 0.217 484 A C 1.913 179.461 177.584 -0.060 0.000 1.153 484 A CA 0.529 52.383 52.037 -0.304 0.000 0.692 484 A CB -0.128 18.653 19.000 -0.364 0.000 0.799 484 A HN 0.608 nan 8.150 nan 0.000 0.458 485 L N -0.226 121.116 121.223 0.199 0.000 2.912 485 L HA 0.188 4.529 4.340 0.001 0.000 0.240 485 L C -0.750 176.196 176.870 0.126 0.000 1.262 485 L CA -0.536 54.423 54.840 0.198 0.000 1.058 485 L CB 0.147 42.364 42.059 0.264 0.000 1.383 485 L HN 0.225 nan 8.230 nan 0.000 0.512 486 c N -0.294 118.359 118.600 0.088 0.000 2.293 486 c HA 0.375 4.945 4.570 0.001 0.000 0.323 486 c C 1.141 175.232 174.090 0.002 0.000 1.240 486 c CA -0.852 55.501 56.329 0.040 0.000 1.497 486 c CB 0.892 43.429 42.510 0.045 0.000 2.171 486 c HN 0.472 nan 8.230 nan 0.000 0.465 487 S N 3.543 119.236 115.700 -0.011 0.000 2.559 487 S HA 0.072 4.543 4.470 0.001 0.000 0.282 487 S C -1.253 173.321 174.600 -0.043 0.000 1.336 487 S CA -0.366 57.819 58.200 -0.025 0.000 1.037 487 S CB 0.489 63.672 63.200 -0.027 0.000 0.853 487 S HN 0.620 nan 8.310 nan 0.000 0.523 488 P HA -0.070 nan 4.420 nan 0.000 0.227 488 P C 0.912 178.163 177.300 -0.082 0.000 1.145 488 P CA 0.773 63.839 63.100 -0.055 0.000 0.769 488 P CB 0.073 31.746 31.700 -0.044 0.000 0.769 489 E N -0.236 119.909 120.200 -0.091 0.000 2.265 489 E HA 0.048 4.399 4.350 0.001 0.000 0.196 489 E C 1.093 177.569 176.600 -0.206 0.000 0.996 489 E CA 1.128 57.449 56.400 -0.131 0.000 0.832 489 E CB -0.433 29.199 29.700 -0.113 0.000 0.756 489 E HN 0.216 nan 8.360 nan 0.000 0.491 490 G N -1.824 106.864 108.800 -0.188 0.000 2.373 490 G HA2 -0.040 3.920 3.960 0.001 0.000 0.634 490 G HA3 -0.040 3.920 3.960 0.001 0.000 0.634 490 G C -0.921 173.826 174.900 -0.255 0.000 1.267 490 G CA -0.728 44.220 45.100 -0.253 0.000 1.008 490 G HN 0.746 nan 8.290 nan 0.000 0.497 491 c N -4.073 114.337 118.600 -0.317 0.000 3.006 491 c HA 0.656 5.227 4.570 0.001 0.000 0.359 491 c C 0.062 173.974 174.090 -0.297 0.000 1.103 491 c CA -1.142 55.046 56.329 -0.235 0.000 1.286 491 c CB 0.443 42.924 42.510 -0.049 0.000 1.694 491 c HN 1.177 nan 8.230 nan 0.000 0.511 492 W N 2.895 124.125 121.300 -0.117 0.000 3.466 492 W HA 0.508 5.168 4.660 0.001 0.000 0.323 492 W C 1.242 177.602 176.519 -0.264 0.000 1.264 492 W CA 0.999 58.263 57.345 -0.134 0.000 1.750 492 W CB 0.057 29.443 29.460 -0.123 0.000 1.040 492 W HN 1.392 nan 8.180 nan 0.000 0.742 493 G N -1.196 107.428 108.800 -0.294 0.000 2.343 493 G HA2 0.047 4.008 3.960 0.001 0.000 0.289 493 G HA3 0.047 4.008 3.960 0.001 0.000 0.289 493 G C -2.632 171.931 174.900 -0.562 0.000 1.295 493 G CA -0.734 43.856 45.100 -0.849 0.000 0.869 493 G HN -0.331 nan 8.290 nan 0.000 0.522 494 P HA 0.141 nan 4.420 nan 0.000 0.216 494 P C 0.477 177.779 177.300 0.003 0.000 1.154 494 P CA 0.653 63.748 63.100 -0.008 0.000 0.857 494 P CB 0.056 31.798 31.700 0.071 0.000 0.787 495 E N 0.686 120.843 120.200 -0.072 0.000 2.467 495 E HA -0.061 4.290 4.350 0.001 0.000 0.264 495 E C -1.643 174.866 176.600 -0.152 0.000 1.020 495 E CA -0.897 55.438 56.400 -0.107 0.000 0.945 495 E CB -0.328 29.317 29.700 -0.092 0.000 0.942 495 E HN 0.174 nan 8.360 nan 0.000 0.449 496 P HA -0.190 nan 4.420 nan 0.000 0.222 496 P C 0.850 178.074 177.300 -0.126 0.000 1.147 496 P CA 1.265 64.188 63.100 -0.296 0.000 0.790 496 P CB 0.076 31.528 31.700 -0.414 0.000 0.780 497 R N -0.843 119.596 120.500 -0.102 0.000 2.236 497 R HA 0.031 4.371 4.340 0.001 0.000 0.208 497 R C 0.359 176.645 176.300 -0.023 0.000 1.036 497 R CA 0.987 57.053 56.100 -0.057 0.000 1.001 497 R CB -0.846 29.420 30.300 -0.056 0.000 0.896 497 R HN 0.068 nan 8.270 nan 0.000 0.464 498 D N 0.921 121.307 120.400 -0.023 0.000 2.325 498 D HA 0.096 4.736 4.640 0.001 0.000 0.234 498 D C -0.280 176.068 176.300 0.079 0.000 1.122 498 D CA -0.058 53.961 54.000 0.031 0.000 0.850 498 D CB -0.031 40.747 40.800 -0.037 0.000 0.921 498 D HN 0.204 nan 8.370 nan 0.000 0.513 499 c N -0.027 118.603 118.600 0.049 0.000 2.398 499 c HA 0.272 4.842 4.570 0.001 0.000 0.364 499 c C 2.220 176.355 174.090 0.074 0.000 1.219 499 c CA -0.863 55.488 56.329 0.037 0.000 2.312 499 c CB 1.766 44.285 42.510 0.014 0.000 2.428 499 c HN 0.089 nan 8.230 nan 0.000 0.564 500 V N 2.207 122.136 119.914 0.025 0.000 2.283 500 V HA 0.011 4.132 4.120 0.001 0.000 0.239 500 V C 1.082 177.184 176.094 0.012 0.000 1.035 500 V CA 1.572 63.896 62.300 0.041 0.000 1.018 500 V CB -0.532 31.257 31.823 -0.057 0.000 0.658 500 V HN 0.963 nan 8.190 nan 0.000 0.459 501 S N -1.662 114.028 115.700 -0.017 0.000 2.566 501 S HA 0.528 4.999 4.470 0.001 0.000 0.298 501 S C -0.668 173.925 174.600 -0.011 0.000 1.083 501 S CA -0.798 57.393 58.200 -0.015 0.000 0.978 501 S CB 1.558 64.744 63.200 -0.024 0.000 1.073 501 S HN 0.309 nan 8.310 nan 0.000 0.491 502 c N 1.956 120.551 118.600 -0.008 0.000 2.382 502 c HA 0.533 5.104 4.570 0.001 0.000 0.363 502 c C 2.150 176.239 174.090 -0.002 0.000 1.213 502 c CA -0.778 55.549 56.329 -0.002 0.000 2.363 502 c CB 0.618 43.125 42.510 -0.006 0.000 2.397 502 c HN 0.947 nan 8.230 nan 0.000 0.573 503 R N 1.164 121.667 120.500 0.006 0.000 2.055 503 R HA 0.013 4.354 4.340 0.001 0.000 0.226 503 R C 0.982 177.281 176.300 -0.001 0.000 1.135 503 R CA 1.530 57.632 56.100 0.002 0.000 0.959 503 R CB -0.442 29.864 30.300 0.009 0.000 0.854 503 R HN 0.712 nan 8.270 nan 0.000 0.431 504 N N -0.671 118.030 118.700 0.001 0.000 2.831 504 N HA 0.042 4.782 4.740 0.001 0.000 0.233 504 N C 0.614 176.119 175.510 -0.010 0.000 1.031 504 N CA 0.822 53.871 53.050 -0.003 0.000 1.198 504 N CB 0.057 38.544 38.487 -0.000 0.000 1.595 504 N HN 0.034 nan 8.380 nan 0.000 0.588 505 V N -2.667 117.240 119.914 -0.013 0.000 3.087 505 V HA 0.918 5.039 4.120 0.001 0.000 0.311 505 V C -0.985 175.092 176.094 -0.028 0.000 1.333 505 V CA -0.822 61.463 62.300 -0.026 0.000 1.054 505 V CB 1.361 33.163 31.823 -0.036 0.000 1.123 505 V HN 0.379 nan 8.190 nan 0.000 0.473 506 S N -0.166 115.508 115.700 -0.043 0.000 2.537 506 S HA 0.662 5.132 4.470 0.001 0.000 0.271 506 S C -0.978 173.587 174.600 -0.057 0.000 1.148 506 S CA -0.964 57.210 58.200 -0.044 0.000 0.868 506 S CB 2.161 65.338 63.200 -0.039 0.000 1.115 506 S HN 0.841 nan 8.310 nan 0.000 0.461 507 R N 1.763 122.231 120.500 -0.052 0.000 3.301 507 R HA 0.531 4.871 4.340 0.001 0.000 0.286 507 R C 1.255 177.525 176.300 -0.050 0.000 1.386 507 R CA 0.343 56.410 56.100 -0.056 0.000 1.607 507 R CB -0.180 30.091 30.300 -0.049 0.000 1.305 507 R HN 1.325 nan 8.270 nan 0.000 0.637 508 G N 2.630 111.399 108.800 -0.051 0.000 3.127 508 G HA2 -0.412 3.549 3.960 0.001 0.000 0.280 508 G HA3 -0.412 3.549 3.960 0.001 0.000 0.280 508 G C 0.611 175.488 174.900 -0.037 0.000 1.491 508 G CA 0.176 45.250 45.100 -0.042 0.000 1.029 508 G HN 0.525 nan 8.290 nan 0.000 0.582 509 R N 1.723 122.201 120.500 -0.036 0.000 2.393 509 R HA 0.536 4.876 4.340 0.001 0.000 0.244 509 R C 0.541 176.817 176.300 -0.039 0.000 0.920 509 R CA 0.818 56.897 56.100 -0.034 0.000 1.076 509 R CB 0.419 30.699 30.300 -0.033 0.000 1.119 509 R HN 0.588 nan 8.270 nan 0.000 0.524 510 E N 0.743 120.916 120.200 -0.044 0.000 2.317 510 E HA 0.313 4.663 4.350 0.001 0.000 0.270 510 E C -1.242 175.327 176.600 -0.051 0.000 0.885 510 E CA -0.946 55.421 56.400 -0.056 0.000 0.760 510 E CB 2.169 31.829 29.700 -0.065 0.000 1.227 510 E HN 0.195 nan 8.360 nan 0.000 0.434 511 c N 2.828 121.396 118.600 -0.054 0.000 2.466 511 c HA 0.668 5.239 4.570 0.001 0.000 0.379 511 c C 0.072 174.146 174.090 -0.027 0.000 1.251 511 c CA -0.455 55.855 56.329 -0.031 0.000 2.263 511 c CB 0.059 42.565 42.510 -0.006 0.000 2.511 511 c HN 0.513 nan 8.230 nan 0.000 0.573 512 V N 0.491 120.400 119.914 -0.007 0.000 3.167 512 V HA 0.606 4.727 4.120 0.001 0.000 0.310 512 V C 0.101 176.206 176.094 0.018 0.000 1.207 512 V CA -0.576 61.727 62.300 0.005 0.000 1.059 512 V CB 1.818 33.633 31.823 -0.013 0.000 1.079 512 V HN 0.776 nan 8.190 nan 0.000 0.446 513 D N -0.034 120.380 120.400 0.023 0.000 2.249 513 D HA 0.083 4.724 4.640 0.001 0.000 0.205 513 D C 0.392 176.696 176.300 0.006 0.000 0.962 513 D CA 1.176 55.187 54.000 0.020 0.000 0.860 513 D CB 0.164 40.978 40.800 0.023 0.000 0.955 513 D HN 0.936 nan 8.370 nan 0.000 0.505 514 K N -1.379 119.021 120.400 0.000 0.000 2.598 514 K HA 0.403 4.724 4.320 0.001 0.000 0.271 514 K C -1.283 175.310 176.600 -0.012 0.000 0.947 514 K CA -0.860 55.424 56.287 -0.006 0.000 0.854 514 K CB 0.821 33.320 32.500 -0.001 0.000 1.401 514 K HN -0.076 nan 8.250 nan 0.000 0.415 515 c N 1.718 120.307 118.600 -0.019 0.000 2.700 515 c HA 0.157 4.727 4.570 0.001 0.000 0.397 515 c C 0.594 174.676 174.090 -0.014 0.000 1.301 515 c CA -0.414 55.899 56.329 -0.028 0.000 2.219 515 c CB -0.284 42.200 42.510 -0.043 0.000 2.699 515 c HN 0.732 nan 8.230 nan 0.000 0.669 516 K N 2.047 122.439 120.400 -0.014 0.000 2.715 516 K HA 0.234 4.554 4.320 0.001 0.000 0.248 516 K C -0.505 176.102 176.600 0.011 0.000 1.276 516 K CA 0.252 56.538 56.287 -0.002 0.000 1.209 516 K CB -0.334 32.164 32.500 -0.004 0.000 1.509 516 K HN 0.472 nan 8.250 nan 0.000 0.261 517 L N 1.763 122.995 121.223 0.014 0.000 2.375 517 L HA 0.211 4.551 4.340 0.001 0.000 0.271 517 L C 1.386 178.266 176.870 0.017 0.000 1.107 517 L CA -0.243 54.612 54.840 0.025 0.000 0.806 517 L CB 0.558 42.634 42.059 0.028 0.000 1.146 517 L HN 0.481 nan 8.230 nan 0.000 0.447 518 L N -1.415 119.819 121.223 0.019 0.000 3.470 518 L HA -0.323 4.017 4.340 0.001 0.000 0.128 518 L C 0.929 177.804 176.870 0.008 0.000 4.405 518 L CA 1.674 56.521 54.840 0.012 0.000 0.603 518 L CB -1.308 40.757 42.059 0.009 0.000 3.528 518 L HN 0.884 nan 8.230 nan 0.000 0.821 519 E N 1.729 121.933 120.200 0.007 0.000 3.032 519 E HA 0.591 4.942 4.350 0.001 0.000 0.229 519 E C 0.629 177.232 176.600 0.004 0.000 0.857 519 E CA 0.309 56.711 56.400 0.004 0.000 1.257 519 E CB 0.795 30.497 29.700 0.002 0.000 1.676 519 E HN 0.909 nan 8.360 nan 0.000 0.480 520 G N 0.148 108.949 108.800 0.001 0.000 2.710 520 G HA2 -0.244 3.716 3.960 0.001 0.000 0.668 520 G HA3 -0.244 3.716 3.960 0.001 0.000 0.668 520 G C 0.195 175.094 174.900 -0.001 0.000 1.320 520 G CA 0.320 45.420 45.100 -0.000 0.000 0.860 520 G HN 0.616 nan 8.290 nan 0.000 0.538 521 E N 0.125 120.323 120.200 -0.002 0.000 2.057 521 E HA 0.218 4.569 4.350 0.001 0.000 0.190 521 E C -1.371 175.228 176.600 -0.001 0.000 0.969 521 E CA 1.235 57.633 56.400 -0.003 0.000 0.812 521 E CB -0.232 29.465 29.700 -0.005 0.000 0.777 521 E HN 0.521 nan 8.360 nan 0.000 0.455 522 P HA 0.299 nan 4.420 nan 0.000 0.301 522 P C -1.214 176.093 177.300 0.012 0.000 1.338 522 P CA -0.364 62.738 63.100 0.003 0.000 0.834 522 P CB 1.197 32.895 31.700 -0.002 0.000 0.967 523 R N 2.552 123.067 120.500 0.025 0.000 2.543 523 R HA 0.346 4.686 4.340 0.001 0.000 0.277 523 R C 0.266 176.604 176.300 0.065 0.000 1.074 523 R CA 0.125 56.250 56.100 0.042 0.000 1.076 523 R CB 0.560 30.889 30.300 0.048 0.000 0.993 523 R HN 0.563 nan 8.270 nan 0.000 0.459 524 E N 0.798 121.041 120.200 0.072 0.000 2.445 524 E HA 0.529 4.879 4.350 0.001 0.000 0.273 524 E C -1.003 175.693 176.600 0.160 0.000 0.961 524 E CA -0.797 55.648 56.400 0.076 0.000 0.807 524 E CB 2.022 31.706 29.700 -0.027 0.000 1.362 524 E HN 0.451 nan 8.360 nan 0.000 0.453 525 F N -1.919 118.034 119.950 0.005 0.000 2.650 525 F HA 0.775 5.302 4.527 0.001 0.000 0.320 525 F C -1.483 174.319 175.800 0.003 0.000 1.091 525 F CA -1.103 56.900 58.000 0.004 0.000 0.962 525 F CB 0.877 39.881 39.000 0.005 0.000 1.363 525 F HN 0.138 nan 8.300 nan 0.000 0.482 526 V N 1.327 121.300 119.914 0.098 0.000 2.409 526 V HA 0.517 4.637 4.120 0.001 0.000 0.291 526 V C -0.922 175.224 176.094 0.087 0.000 1.020 526 V CA -0.535 61.751 62.300 -0.024 0.000 0.848 526 V CB 1.182 33.012 31.823 0.011 0.000 0.990 526 V HN 0.825 nan 8.190 nan 0.000 0.430 527 E N 3.719 123.915 120.200 -0.006 0.000 2.287 527 E HA 0.376 4.727 4.350 0.001 0.000 0.274 527 E C -0.697 175.908 176.600 0.008 0.000 0.896 527 E CA -0.741 55.701 56.400 0.069 0.000 0.788 527 E CB 1.546 31.364 29.700 0.198 0.000 1.244 527 E HN 0.693 nan 8.360 nan 0.000 0.408 528 N N 1.220 119.929 118.700 0.015 0.000 2.747 528 N HA -0.197 4.544 4.740 0.001 0.000 0.249 528 N C -0.615 174.884 175.510 -0.017 0.000 1.107 528 N CA 1.395 54.446 53.050 0.001 0.000 0.707 528 N CB -1.469 37.021 38.487 0.004 0.000 1.054 528 N HN 0.605 nan 8.380 nan 0.000 0.555 529 S N -2.222 113.464 115.700 -0.023 0.000 3.672 529 S HA -0.232 4.238 4.470 0.001 0.000 0.319 529 S C -0.080 174.487 174.600 -0.056 0.000 1.151 529 S CA 1.211 59.391 58.200 -0.033 0.000 0.911 529 S CB -0.892 62.295 63.200 -0.021 0.000 0.939 529 S HN 0.621 nan 8.310 nan 0.000 0.524 530 E N -0.533 119.614 120.200 -0.089 0.000 2.238 530 E HA 0.449 4.800 4.350 0.001 0.000 0.267 530 E C -0.637 175.835 176.600 -0.214 0.000 0.887 530 E CA -0.740 55.585 56.400 -0.125 0.000 0.769 530 E CB 1.580 31.212 29.700 -0.114 0.000 1.187 530 E HN 0.306 nan 8.360 nan 0.000 0.416 531 c N 3.768 122.252 118.600 -0.194 0.000 2.223 531 c HA 0.453 5.023 4.570 0.001 0.000 0.324 531 c C -0.232 173.694 174.090 -0.273 0.000 1.196 531 c CA -0.659 55.527 56.329 -0.238 0.000 1.628 531 c CB -1.441 40.989 42.510 -0.135 0.000 2.229 531 c HN 0.476 nan 8.230 nan 0.000 0.486 532 I N 3.112 123.394 120.570 -0.480 0.000 2.441 532 I HA 0.291 4.461 4.170 0.001 0.000 0.295 532 I C 0.331 176.372 176.117 -0.127 0.000 0.994 532 I CA -0.084 61.017 61.300 -0.332 0.000 1.144 532 I CB 0.946 38.699 38.000 -0.412 0.000 1.314 532 I HN 0.568 nan 8.210 nan 0.000 0.445 533 Q N 3.324 123.124 119.800 0.000 0.000 2.392 533 Q HA 0.258 4.598 4.340 0.001 0.000 0.262 533 Q C -0.730 175.369 176.000 0.166 0.000 1.003 533 Q CA -0.325 55.515 55.803 0.062 0.000 0.888 533 Q CB 0.734 29.488 28.738 0.027 0.000 1.260 533 Q HN 0.627 nan 8.270 nan 0.000 0.435 534 c N 1.701 120.398 118.600 0.162 0.000 2.539 534 c HA 0.105 4.675 4.570 0.001 0.000 0.392 534 c C 0.598 174.769 174.090 0.136 0.000 1.269 534 c CA -0.549 55.886 56.329 0.177 0.000 2.250 534 c CB -0.535 42.057 42.510 0.138 0.000 2.584 534 c HN 0.788 nan 8.230 nan 0.000 0.589 535 H N 3.087 122.194 119.070 0.061 0.000 3.094 535 H HA 0.042 4.599 4.556 0.001 0.000 0.320 535 H C -1.518 173.835 175.328 0.040 0.000 1.000 535 H CA -0.147 55.929 56.048 0.047 0.000 1.413 535 H CB 0.575 30.360 29.762 0.038 0.000 1.405 535 H HN 0.423 nan 8.280 nan 0.000 0.586 536 P HA -0.197 nan 4.420 nan 0.000 0.218 536 P C 0.284 177.614 177.300 0.051 0.000 1.146 536 P CA 1.368 64.416 63.100 -0.087 0.000 0.820 536 P CB 0.269 31.867 31.700 -0.169 0.000 0.778 537 E N -1.357 118.961 120.200 0.196 0.000 2.321 537 E HA 0.052 4.402 4.350 0.001 0.000 0.189 537 E C -0.282 176.397 176.600 0.131 0.000 1.125 537 E CA 0.042 56.570 56.400 0.214 0.000 1.005 537 E CB -0.930 28.948 29.700 0.297 0.000 1.140 537 E HN 0.208 nan 8.360 nan 0.000 0.457 538 c N 1.278 119.935 118.600 0.095 0.000 2.264 538 c HA 0.343 4.913 4.570 0.001 0.000 0.324 538 c C 0.750 174.847 174.090 0.011 0.000 1.267 538 c CA -1.087 55.272 56.329 0.049 0.000 1.618 538 c CB -0.162 42.385 42.510 0.062 0.000 2.278 538 c HN 0.457 nan 8.230 nan 0.000 0.499 539 L N 7.596 128.808 121.223 -0.017 0.000 2.534 539 L HA 0.188 4.529 4.340 0.001 0.000 0.271 539 L C -1.612 175.245 176.870 -0.023 0.000 1.178 539 L CA -0.811 54.004 54.840 -0.041 0.000 0.907 539 L CB 0.865 42.887 42.059 -0.062 0.000 1.164 539 L HN 0.480 nan 8.230 nan 0.000 0.482 540 P HA -0.078 nan 4.420 nan 0.000 0.256 540 P C -1.235 176.057 177.300 -0.013 0.000 1.189 540 P CA 0.183 63.275 63.100 -0.013 0.000 0.808 540 P CB 0.299 31.988 31.700 -0.017 0.000 0.793 541 Q N 2.705 122.502 119.800 -0.005 0.000 2.337 541 Q HA 0.278 4.619 4.340 0.001 0.000 0.255 541 Q C 1.173 177.172 176.000 -0.003 0.000 0.997 541 Q CA -0.258 55.542 55.803 -0.005 0.000 0.925 541 Q CB 1.433 30.170 28.738 -0.001 0.000 1.212 541 Q HN 0.455 nan 8.270 nan 0.000 0.436 542 A N 3.417 126.234 122.820 -0.006 0.000 2.169 542 A HA -0.030 4.290 4.320 0.001 0.000 0.212 542 A C 1.328 178.911 177.584 -0.002 0.000 1.153 542 A CA 0.747 52.782 52.037 -0.004 0.000 0.756 542 A CB 0.128 19.124 19.000 -0.006 0.000 0.813 542 A HN 0.540 nan 8.150 nan 0.000 0.471 543 M N -0.403 119.196 119.600 -0.002 0.000 2.348 543 M HA 0.171 4.652 4.480 0.001 0.000 0.206 543 M C 0.620 176.921 176.300 0.002 0.000 1.286 543 M CA 0.630 55.930 55.300 -0.001 0.000 1.229 543 M CB -1.554 31.045 32.600 -0.002 0.000 1.052 543 M HN 0.211 nan 8.290 nan 0.000 0.466 544 N N 1.006 119.707 118.700 0.002 0.000 2.465 544 N HA 0.365 5.106 4.740 0.001 0.000 0.294 544 N C 0.393 175.908 175.510 0.010 0.000 1.333 544 N CA -0.446 52.607 53.050 0.005 0.000 0.932 544 N CB -0.308 38.181 38.487 0.003 0.000 1.092 544 N HN 0.351 nan 8.380 nan 0.000 0.519 545 I N -2.494 118.084 120.570 0.013 0.000 3.433 545 I HA 0.157 4.327 4.170 0.001 0.000 0.265 545 I C 0.494 176.623 176.117 0.019 0.000 1.186 545 I CA -0.190 61.123 61.300 0.023 0.000 1.008 545 I CB 0.265 38.283 38.000 0.031 0.000 1.552 545 I HN 0.237 nan 8.210 nan 0.000 0.790 546 T N 0.155 114.727 114.554 0.031 0.000 3.085 546 T HA 0.188 4.538 4.350 0.001 0.000 0.241 546 T C 0.265 174.976 174.700 0.018 0.000 0.988 546 T CA 0.620 62.735 62.100 0.025 0.000 1.117 546 T CB 0.019 68.909 68.868 0.037 0.000 0.978 546 T HN 0.896 nan 8.240 nan 0.000 0.454 547 c N 1.014 119.630 118.600 0.027 0.000 3.323 547 c HA 0.830 5.400 4.570 0.001 0.000 0.324 547 c C 0.840 174.884 174.090 -0.076 0.000 1.428 547 c CA -0.139 56.175 56.329 -0.024 0.000 1.368 547 c CB 1.041 43.542 42.510 -0.016 0.000 1.731 547 c HN 0.389 nan 8.230 nan 0.000 0.455 548 T N -2.202 112.231 114.554 -0.202 0.000 3.288 548 T HA 0.634 4.984 4.350 0.001 0.000 0.293 548 T C 0.352 174.666 174.700 -0.644 0.000 1.008 548 T CA 0.552 62.473 62.100 -0.298 0.000 0.929 548 T CB -0.314 68.455 68.868 -0.165 0.000 1.152 548 T HN 2.267 nan 8.240 nan 0.000 0.517 549 G N 0.421 108.674 108.800 -0.911 0.000 2.441 549 G HA2 0.395 4.356 3.960 0.001 0.000 0.294 549 G HA3 0.395 4.356 3.960 0.001 0.000 0.294 549 G C -0.142 174.413 174.900 -0.575 0.000 1.393 549 G CA -0.924 43.551 45.100 -1.043 0.000 0.796 549 G HN 0.044 nan 8.290 nan 0.000 0.494 550 R N -0.334 120.059 120.500 -0.177 0.000 2.062 550 R HA 0.138 4.478 4.340 0.001 0.000 0.226 550 R C 1.761 178.118 176.300 0.095 0.000 1.125 550 R CA 0.805 56.983 56.100 0.129 0.000 0.966 550 R CB -0.355 30.061 30.300 0.194 0.000 0.861 550 R HN 0.574 nan 8.270 nan 0.000 0.433 551 G N 1.758 110.564 108.800 0.011 0.000 2.594 551 G HA2 0.065 4.025 3.960 0.001 0.000 0.243 551 G HA3 0.065 4.025 3.960 0.001 0.000 0.243 551 G C -1.734 173.105 174.900 -0.101 0.000 1.229 551 G CA -1.034 44.049 45.100 -0.028 0.000 0.843 551 G HN 0.053 nan 8.290 nan 0.000 0.578 552 P HA -0.024 nan 4.420 nan 0.000 0.239 552 P C 0.283 177.490 177.300 -0.155 0.000 1.184 552 P CA 0.654 63.602 63.100 -0.253 0.000 0.760 552 P CB 0.378 31.794 31.700 -0.473 0.000 0.884 553 D N -0.042 120.252 120.400 -0.177 0.000 2.317 553 D HA -0.043 4.597 4.640 0.001 0.000 0.211 553 D C 1.046 177.254 176.300 -0.152 0.000 0.966 553 D CA 0.820 54.694 54.000 -0.210 0.000 0.876 553 D CB -0.657 39.985 40.800 -0.263 0.000 0.927 553 D HN 0.393 nan 8.370 nan 0.000 0.519 554 N N -0.421 118.198 118.700 -0.135 0.000 2.235 554 N HA 0.089 4.830 4.740 0.001 0.000 0.209 554 N C -0.268 175.185 175.510 -0.096 0.000 1.122 554 N CA -0.319 52.653 53.050 -0.131 0.000 0.845 554 N CB 0.602 38.977 38.487 -0.187 0.000 1.004 554 N HN -0.025 nan 8.380 nan 0.000 0.499 555 c N 0.511 119.069 118.600 -0.069 0.000 2.657 555 c HA 0.192 4.762 4.570 0.001 0.000 0.404 555 c C 2.120 176.188 174.090 -0.037 0.000 1.291 555 c CA -0.502 55.804 56.329 -0.037 0.000 2.218 555 c CB 0.060 42.561 42.510 -0.015 0.000 2.687 555 c HN 0.439 nan 8.230 nan 0.000 0.634 556 I N 0.362 120.917 120.570 -0.025 0.000 3.030 556 I HA 0.039 4.209 4.170 0.001 0.000 0.270 556 I C 0.868 176.972 176.117 -0.021 0.000 1.211 556 I CA 1.024 62.310 61.300 -0.023 0.000 1.479 556 I CB -0.202 37.788 38.000 -0.017 0.000 1.105 556 I HN 0.721 nan 8.210 nan 0.000 0.447 557 Q N 0.030 119.817 119.800 -0.021 0.000 2.443 557 Q HA 0.262 4.602 4.340 0.001 0.000 0.258 557 Q C -1.429 174.553 176.000 -0.030 0.000 0.967 557 Q CA -0.582 55.206 55.803 -0.025 0.000 0.951 557 Q CB 2.034 30.755 28.738 -0.030 0.000 1.459 557 Q HN 0.138 nan 8.270 nan 0.000 0.415 558 c N 1.775 120.356 118.600 -0.032 0.000 2.689 558 c HA 0.442 5.012 4.570 0.001 0.000 0.409 558 c C 1.748 175.783 174.090 -0.092 0.000 1.293 558 c CA 0.463 56.773 56.329 -0.031 0.000 2.136 558 c CB 0.342 42.847 42.510 -0.009 0.000 2.719 558 c HN 0.976 nan 8.230 nan 0.000 0.644 559 A N 0.831 123.598 122.820 -0.088 0.000 1.984 559 A HA 0.088 4.408 4.320 0.001 0.000 0.214 559 A C 1.186 178.466 177.584 -0.507 0.000 1.173 559 A CA 1.349 53.248 52.037 -0.231 0.000 0.673 559 A CB -0.246 18.669 19.000 -0.141 0.000 0.830 559 A HN 1.011 nan 8.150 nan 0.000 0.453 560 H N -3.343 115.575 119.070 -0.253 0.000 5.214 560 H HA 0.492 5.049 4.556 0.001 0.000 0.090 560 H C -0.533 174.445 175.328 -0.584 0.000 1.307 560 H CA -0.024 55.714 56.048 -0.517 0.000 0.450 560 H CB 0.137 29.639 29.762 -0.433 0.000 1.651 560 H HN 0.314 nan 8.280 nan 0.000 0.136 561 Y N 0.063 120.451 120.300 0.146 0.000 2.519 561 Y HA 0.415 4.966 4.550 0.001 0.000 0.324 561 Y C -0.358 175.589 175.900 0.077 0.000 1.214 561 Y CA -0.972 57.206 58.100 0.130 0.000 1.260 561 Y CB 1.593 40.147 38.460 0.156 0.000 1.311 561 Y HN 0.206 nan 8.280 nan 0.000 0.505 562 I N 1.692 122.403 120.570 0.234 0.000 2.493 562 I HA 0.237 4.408 4.170 0.001 0.000 0.279 562 I C -1.369 174.775 176.117 0.044 0.000 1.045 562 I CA -0.554 60.811 61.300 0.108 0.000 1.106 562 I CB 0.675 38.716 38.000 0.067 0.000 1.216 562 I HN 0.621 nan 8.210 nan 0.000 0.459 563 D N 7.021 127.441 120.400 0.034 0.000 2.494 563 D HA 0.463 5.104 4.640 0.001 0.000 0.217 563 D C 0.805 177.100 176.300 -0.009 0.000 1.153 563 D CA 1.268 55.253 54.000 -0.024 0.000 0.954 563 D CB 0.535 41.323 40.800 -0.020 0.000 1.034 563 D HN 0.927 nan 8.370 nan 0.000 0.518 564 G N 5.092 113.858 108.800 -0.056 0.000 2.550 564 G HA2 -0.301 3.660 3.960 0.001 0.000 0.277 564 G HA3 -0.301 3.660 3.960 0.001 0.000 0.277 564 G C -1.090 173.791 174.900 -0.032 0.000 1.190 564 G CA 0.080 45.155 45.100 -0.042 0.000 0.971 564 G HN 0.455 nan 8.290 nan 0.000 0.559 565 P HA -0.048 nan 4.420 nan 0.000 0.218 565 P C 0.611 177.765 177.300 -0.243 0.000 1.148 565 P CA 1.514 64.510 63.100 -0.173 0.000 0.822 565 P CB -0.225 31.317 31.700 -0.264 0.000 0.784 566 H N -0.942 118.086 119.070 -0.070 0.000 2.505 566 H HA 0.215 4.772 4.556 0.001 0.000 0.355 566 H C -0.037 175.251 175.328 -0.066 0.000 1.179 566 H CA -0.472 55.523 56.048 -0.088 0.000 1.343 566 H CB 0.820 30.525 29.762 -0.095 0.000 1.501 566 H HN 0.023 nan 8.280 nan 0.000 0.569 567 c N 3.538 122.161 118.600 0.039 0.000 2.239 567 c HA 0.331 4.902 4.570 0.001 0.000 0.325 567 c C 0.510 174.645 174.090 0.075 0.000 1.231 567 c CA -0.682 55.673 56.329 0.045 0.000 1.652 567 c CB -0.712 41.815 42.510 0.028 0.000 2.284 567 c HN 0.396 nan 8.230 nan 0.000 0.499 568 V N 4.115 124.095 119.914 0.110 0.000 2.732 568 V HA 0.347 4.468 4.120 0.001 0.000 0.310 568 V C 1.110 177.304 176.094 0.167 0.000 1.053 568 V CA -0.597 61.774 62.300 0.118 0.000 0.957 568 V CB 1.802 33.676 31.823 0.084 0.000 1.018 568 V HN 0.880 nan 8.190 nan 0.000 0.452 569 K N 1.184 121.654 120.400 0.116 0.000 2.076 569 K HA 0.010 4.331 4.320 0.001 0.000 0.204 569 K C 0.499 177.181 176.600 0.136 0.000 1.051 569 K CA 1.478 57.774 56.287 0.015 0.000 0.949 569 K CB 0.247 32.705 32.500 -0.070 0.000 0.726 569 K HN 0.938 nan 8.250 nan 0.000 0.443 570 T N -1.615 113.029 114.554 0.150 0.000 2.971 570 T HA 0.323 4.673 4.350 0.001 0.000 0.304 570 T C -0.319 174.387 174.700 0.010 0.000 1.038 570 T CA -1.045 61.139 62.100 0.140 0.000 1.007 570 T CB 0.953 69.858 68.868 0.061 0.000 1.055 570 T HN 0.069 nan 8.240 nan 0.000 0.451 571 c N 4.557 123.087 118.600 -0.117 0.000 2.563 571 c HA 0.223 4.793 4.570 0.001 0.000 0.411 571 c C -1.528 172.517 174.090 -0.075 0.000 1.386 571 c CA -0.280 55.986 56.329 -0.105 0.000 1.703 571 c CB -0.926 41.484 42.510 -0.167 0.000 2.596 571 c HN 0.698 nan 8.230 nan 0.000 0.605 572 P HA 0.218 nan 4.420 nan 0.000 0.264 572 P C -0.402 176.806 177.300 -0.154 0.000 1.179 572 P CA 0.697 63.723 63.100 -0.123 0.000 0.763 572 P CB 0.355 31.975 31.700 -0.133 0.000 0.806 573 A N 2.402 125.052 122.820 -0.283 0.000 3.448 573 A HA 0.571 4.892 4.320 0.001 0.000 0.232 573 A C 0.556 177.516 177.584 -1.040 0.000 1.018 573 A CA 0.297 52.022 52.037 -0.520 0.000 0.996 573 A CB -0.483 18.476 19.000 -0.069 0.000 1.283 573 A HN 0.695 nan 8.150 nan 0.000 0.586 574 G N -0.770 107.418 108.800 -1.019 0.000 2.789 574 G HA2 0.143 4.103 3.960 0.001 0.000 0.218 574 G HA3 0.143 4.103 3.960 0.001 0.000 0.218 574 G C -0.130 174.519 174.900 -0.417 0.000 0.980 574 G CA 0.161 44.788 45.100 -0.789 0.000 0.848 574 G HN 0.895 nan 8.290 nan 0.000 0.591 575 V N 2.105 121.800 119.914 -0.364 0.000 2.614 575 V HA 0.530 4.651 4.120 0.001 0.000 0.291 575 V C 1.100 177.089 176.094 -0.176 0.000 1.049 575 V CA -0.277 61.891 62.300 -0.220 0.000 1.038 575 V CB 1.379 33.093 31.823 -0.182 0.000 0.980 575 V HN 0.488 nan 8.190 nan 0.000 0.481 576 M N 4.908 124.434 119.600 -0.123 0.000 2.249 576 M HA 0.466 4.947 4.480 0.001 0.000 0.340 576 M C 0.460 176.716 176.300 -0.073 0.000 1.166 576 M CA 0.832 56.080 55.300 -0.086 0.000 1.115 576 M CB 0.313 32.874 32.600 -0.064 0.000 1.606 576 M HN 0.788 nan 8.290 nan 0.000 0.448 577 G N 2.603 111.371 108.800 -0.054 0.000 3.243 577 G HA2 0.518 4.478 3.960 0.001 0.000 0.248 577 G HA3 0.518 4.478 3.960 0.001 0.000 0.248 577 G C -1.408 173.476 174.900 -0.026 0.000 1.267 577 G CA -0.578 44.498 45.100 -0.041 0.000 0.906 577 G HN 0.684 nan 8.290 nan 0.000 0.592 578 E N -0.402 119.787 120.200 -0.018 0.000 2.349 578 E HA 0.282 4.632 4.350 0.001 0.000 0.265 578 E C 0.633 177.228 176.600 -0.008 0.000 1.064 578 E CA -0.004 56.389 56.400 -0.012 0.000 0.886 578 E CB 0.685 30.379 29.700 -0.010 0.000 1.036 578 E HN 0.498 nan 8.360 nan 0.000 0.413 579 N N 3.007 121.704 118.700 -0.006 0.000 2.725 579 N HA -0.311 4.429 4.740 0.001 0.000 0.249 579 N C -0.476 175.032 175.510 -0.002 0.000 1.103 579 N CA 1.288 54.337 53.050 -0.003 0.000 0.707 579 N CB -1.406 37.081 38.487 -0.000 0.000 1.043 579 N HN 0.700 nan 8.380 nan 0.000 0.553 580 N N -2.477 116.219 118.700 -0.006 0.000 2.753 580 N HA -0.185 4.556 4.740 0.001 0.000 0.251 580 N C -1.273 174.238 175.510 0.001 0.000 1.097 580 N CA 1.677 54.724 53.050 -0.005 0.000 0.786 580 N CB -1.478 37.008 38.487 -0.002 0.000 1.137 580 N HN 0.516 nan 8.380 nan 0.000 0.566 581 T N 1.448 116.004 114.554 0.003 0.000 2.780 581 T HA 0.430 4.780 4.350 0.001 0.000 0.294 581 T C 0.835 175.542 174.700 0.013 0.000 0.949 581 T CA -0.584 61.527 62.100 0.018 0.000 1.074 581 T CB 0.838 69.719 68.868 0.022 0.000 0.910 581 T HN 0.109 nan 8.240 nan 0.000 0.501 582 L N 3.329 124.575 121.223 0.038 0.000 2.461 582 L HA 0.333 4.673 4.340 0.001 0.000 0.259 582 L C 0.218 177.069 176.870 -0.031 0.000 1.248 582 L CA 0.137 54.969 54.840 -0.013 0.000 0.823 582 L CB 0.140 42.239 42.059 0.067 0.000 1.111 582 L HN 0.320 nan 8.230 nan 0.000 0.516 583 V N -0.635 119.136 119.914 -0.237 0.000 2.569 583 V HA 0.385 4.505 4.120 0.001 0.000 0.301 583 V C -1.350 174.513 176.094 -0.385 0.000 1.044 583 V CA -0.563 61.631 62.300 -0.176 0.000 0.874 583 V CB 1.464 33.200 31.823 -0.144 0.000 1.002 583 V HN 0.634 nan 8.190 nan 0.000 0.424 584 W N 3.982 125.291 121.300 0.015 0.000 2.739 584 W HA 0.765 5.425 4.660 0.001 0.000 0.331 584 W C -0.043 176.511 176.519 0.058 0.000 1.049 584 W CA -0.596 56.769 57.345 0.033 0.000 1.234 584 W CB 1.867 31.355 29.460 0.046 0.000 1.404 584 W HN 0.308 nan 8.180 nan 0.000 0.477 585 K N 1.453 121.997 120.400 0.240 0.000 2.378 585 K HA 0.691 5.012 4.320 0.001 0.000 0.244 585 K C -1.449 175.273 176.600 0.203 0.000 1.039 585 K CA -1.280 55.102 56.287 0.157 0.000 0.863 585 K CB 2.699 35.191 32.500 -0.012 0.000 1.326 585 K HN 0.482 nan 8.250 nan 0.000 0.460 586 Y N -2.388 117.950 120.300 0.062 0.000 2.588 586 Y HA 0.733 5.283 4.550 0.001 0.000 0.343 586 Y C -1.444 174.464 175.900 0.013 0.000 1.065 586 Y CA -1.474 56.641 58.100 0.025 0.000 1.038 586 Y CB 1.369 39.860 38.460 0.052 0.000 1.297 586 Y HN 0.515 nan 8.280 nan 0.000 0.467 587 A N 2.847 125.709 122.820 0.070 0.000 2.260 587 A HA 0.418 4.739 4.320 0.001 0.000 0.308 587 A C -0.416 177.275 177.584 0.177 0.000 1.254 587 A CA -0.318 51.740 52.037 0.035 0.000 0.874 587 A CB 0.408 19.384 19.000 -0.041 0.000 1.153 587 A HN 0.893 nan 8.150 nan 0.000 0.527 588 D N 2.311 122.814 120.400 0.170 0.000 2.231 588 D HA 0.487 5.127 4.640 0.001 0.000 0.287 588 D C 1.779 178.115 176.300 0.059 0.000 1.160 588 D CA 0.724 54.842 54.000 0.196 0.000 1.089 588 D CB 0.441 41.378 40.800 0.229 0.000 1.158 588 D HN 0.389 nan 8.370 nan 0.000 0.494 589 A N -0.577 122.279 122.820 0.059 0.000 1.832 589 A HA 0.137 4.458 4.320 0.001 0.000 0.214 589 A C 1.822 179.407 177.584 0.001 0.000 1.204 589 A CA 1.750 53.796 52.037 0.015 0.000 0.606 589 A CB -1.210 17.812 19.000 0.038 0.000 0.849 589 A HN 0.470 nan 8.150 nan 0.000 0.445 590 G N -1.799 107.044 108.800 0.073 0.000 3.374 590 G HA2 0.281 4.241 3.960 0.001 0.000 0.252 590 G HA3 0.281 4.241 3.960 0.001 0.000 0.252 590 G C 0.288 175.321 174.900 0.221 0.000 1.326 590 G CA 0.376 45.553 45.100 0.129 0.000 1.133 590 G HN 0.637 nan 8.290 nan 0.000 0.528 591 H N -1.964 117.197 119.070 0.151 0.000 2.822 591 H HA -0.162 4.394 4.556 0.001 0.000 0.295 591 H C 0.254 175.689 175.328 0.179 0.000 1.151 591 H CA 0.807 56.994 56.048 0.232 0.000 1.151 591 H CB -1.901 27.983 29.762 0.203 0.000 1.343 591 H HN 0.262 nan 8.280 nan 0.000 0.382 592 V N 0.720 120.736 119.914 0.170 0.000 2.607 592 V HA 0.085 4.206 4.120 0.001 0.000 0.289 592 V C 1.184 177.207 176.094 -0.118 0.000 1.053 592 V CA -0.316 62.001 62.300 0.028 0.000 0.996 592 V CB 1.930 33.770 31.823 0.027 0.000 0.995 592 V HN 0.365 nan 8.190 nan 0.000 0.476 593 c N 5.304 123.751 118.600 -0.256 0.000 2.325 593 c HA 0.496 5.066 4.570 0.001 0.000 0.347 593 c C 0.152 173.894 174.090 -0.580 0.000 1.263 593 c CA -0.538 55.595 56.329 -0.326 0.000 1.806 593 c CB -1.284 41.117 42.510 -0.181 0.000 2.405 593 c HN 0.832 nan 8.230 nan 0.000 0.537 594 H N 2.214 120.984 119.070 -0.500 0.000 2.637 594 H HA 0.384 4.940 4.556 0.001 0.000 0.363 594 H C -0.309 174.855 175.328 -0.273 0.000 1.131 594 H CA -0.589 55.210 56.048 -0.415 0.000 1.183 594 H CB 1.464 30.927 29.762 -0.499 0.000 1.637 594 H HN 0.510 nan 8.280 nan 0.000 0.531 595 L N 1.803 123.064 121.223 0.062 0.000 2.514 595 L HA -0.047 4.294 4.340 0.001 0.000 0.280 595 L C 0.724 177.767 176.870 0.289 0.000 1.223 595 L CA 0.017 54.938 54.840 0.136 0.000 0.864 595 L CB 0.254 42.370 42.059 0.095 0.000 1.118 595 L HN 0.554 nan 8.230 nan 0.000 0.494 596 c N 1.298 120.089 118.600 0.318 0.000 2.705 596 c HA 0.134 4.704 4.570 0.001 0.000 0.311 596 c C 0.823 175.045 174.090 0.220 0.000 1.576 596 c CA -0.689 55.837 56.329 0.328 0.000 2.161 596 c CB -0.024 42.658 42.510 0.287 0.000 2.032 596 c HN 0.609 nan 8.230 nan 0.000 0.616 597 H N 1.135 120.263 119.070 0.095 0.000 2.610 597 H HA 0.140 4.697 4.556 0.001 0.000 0.336 597 H C -1.532 173.827 175.328 0.053 0.000 1.087 597 H CA -0.998 55.085 56.048 0.058 0.000 1.405 597 H CB 1.250 31.023 29.762 0.018 0.000 1.460 597 H HN 0.320 nan 8.280 nan 0.000 0.538 598 P HA -0.201 nan 4.420 nan 0.000 0.218 598 P C 1.023 178.388 177.300 0.108 0.000 1.154 598 P CA 1.382 64.488 63.100 0.011 0.000 0.872 598 P CB 0.454 32.107 31.700 -0.079 0.000 0.790 599 N N -1.011 117.834 118.700 0.242 0.000 2.043 599 N HA -0.104 4.636 4.740 0.001 0.000 0.193 599 N C 0.117 175.651 175.510 0.041 0.000 1.037 599 N CA 0.661 53.794 53.050 0.138 0.000 0.851 599 N CB -1.389 37.179 38.487 0.135 0.000 1.027 599 N HN 0.095 nan 8.380 nan 0.000 0.422 600 c N 1.623 120.250 118.600 0.044 0.000 2.421 600 c HA -0.019 4.551 4.570 0.001 0.000 0.401 600 c C 1.806 175.761 174.090 -0.225 0.000 1.493 600 c CA 0.104 56.392 56.329 -0.068 0.000 1.416 600 c CB -1.546 40.932 42.510 -0.054 0.000 2.451 600 c HN 0.443 nan 8.230 nan 0.000 0.624 601 T N 1.285 115.648 114.554 -0.318 0.000 3.010 601 T HA -0.007 4.343 4.350 0.001 0.000 0.252 601 T C 0.757 174.927 174.700 -0.883 0.000 1.047 601 T CA 1.086 62.873 62.100 -0.522 0.000 1.140 601 T CB -0.098 68.420 68.868 -0.584 0.000 0.885 601 T HN 0.735 nan 8.240 nan 0.000 0.464 602 Y N 1.999 121.969 120.300 -0.549 0.000 2.547 602 Y HA 0.464 5.015 4.550 0.001 0.000 0.325 602 Y C 1.568 176.900 175.900 -0.947 0.000 1.165 602 Y CA -0.378 57.332 58.100 -0.649 0.000 1.300 602 Y CB -0.791 37.479 38.460 -0.318 0.000 1.126 602 Y HN 0.324 nan 8.280 nan 0.000 0.513 603 G N 0.152 108.143 108.800 -1.348 0.000 2.782 603 G HA2 -0.138 3.823 3.960 0.001 0.000 0.228 603 G HA3 -0.138 3.823 3.960 0.001 0.000 0.228 603 G C -0.628 174.119 174.900 -0.255 0.000 1.372 603 G CA -0.867 43.734 45.100 -0.832 0.000 0.862 603 G HN 0.930 nan 8.290 nan 0.000 0.547 604 c N -3.214 115.366 118.600 -0.034 0.000 3.171 604 c HA 0.830 5.400 4.570 0.001 0.000 0.336 604 c C 1.015 175.116 174.090 0.019 0.000 1.198 604 c CA 0.459 56.776 56.329 -0.021 0.000 1.319 604 c CB 1.175 43.672 42.510 -0.022 0.000 1.682 604 c HN 2.078 nan 8.230 nan 0.000 0.497 605 T N -1.141 113.392 114.554 -0.034 0.000 3.105 605 T HA 0.568 4.918 4.350 0.001 0.000 0.253 605 T C 0.615 175.241 174.700 -0.123 0.000 1.047 605 T CA 0.597 62.684 62.100 -0.021 0.000 0.944 605 T CB -0.186 68.674 68.868 -0.014 0.000 1.016 605 T HN 1.992 nan 8.240 nan 0.000 0.544 606 G N 1.103 109.733 108.800 -0.283 0.000 2.623 606 G HA2 0.574 4.535 3.960 0.001 0.000 0.290 606 G HA3 0.574 4.535 3.960 0.001 0.000 0.290 606 G C -3.470 171.019 174.900 -0.685 0.000 1.437 606 G CA -1.440 43.353 45.100 -0.512 0.000 0.798 606 G HN -0.104 nan 8.290 nan 0.000 0.488 607 P HA 0.393 nan 4.420 nan 0.000 0.267 607 P C 0.965 178.174 177.300 -0.152 0.000 1.209 607 P CA 1.728 64.591 63.100 -0.395 0.000 0.763 607 P CB 0.891 32.472 31.700 -0.198 0.000 0.816 608 G N 2.523 111.318 108.800 -0.008 0.000 2.641 608 G HA2 -0.301 3.659 3.960 0.001 0.000 0.254 608 G HA3 -0.301 3.659 3.960 0.001 0.000 0.254 608 G C 0.765 175.596 174.900 -0.114 0.000 1.315 608 G CA -0.083 45.026 45.100 0.015 0.000 0.907 608 G HN 0.447 nan 8.290 nan 0.000 0.572 609 L N 0.985 122.067 121.223 -0.234 0.000 2.141 609 L HA 0.010 4.351 4.340 0.001 0.000 0.209 609 L C 2.767 179.559 176.870 -0.129 0.000 1.094 609 L CA 2.090 56.816 54.840 -0.190 0.000 0.763 609 L CB -0.527 41.399 42.059 -0.222 0.000 0.908 609 L HN 0.856 nan 8.230 nan 0.000 0.437 610 E N 0.104 120.232 120.200 -0.120 0.000 2.533 610 E HA -0.083 4.268 4.350 0.001 0.000 0.201 610 E C 1.690 178.226 176.600 -0.107 0.000 1.097 610 E CA 0.743 57.084 56.400 -0.098 0.000 0.887 610 E CB -0.090 29.559 29.700 -0.083 0.000 0.855 610 E HN 0.448 nan 8.360 nan 0.000 0.540 611 G N 1.010 109.735 108.800 -0.125 0.000 2.728 611 G HA2 -0.024 3.937 3.960 0.001 0.000 0.203 611 G HA3 -0.024 3.937 3.960 0.001 0.000 0.203 611 G C 0.592 175.424 174.900 -0.113 0.000 1.073 611 G CA 0.288 45.299 45.100 -0.147 0.000 0.778 611 G HN 0.440 nan 8.290 nan 0.000 0.553 612 c N 1.847 120.389 118.600 -0.097 0.000 2.248 612 c HA 0.658 5.229 4.570 0.001 0.000 0.320 612 c C -1.939 172.106 174.090 -0.075 0.000 1.065 612 c CA -2.765 53.517 56.329 -0.079 0.000 1.558 612 c CB 0.176 42.645 42.510 -0.069 0.000 1.787 612 c HN 0.092 nan 8.230 nan 0.000 0.426 613 P HA 0.577 nan 4.420 nan 0.000 0.285 613 P C 0.395 177.648 177.300 -0.078 0.000 1.282 613 P CA 0.342 63.400 63.100 -0.071 0.000 0.778 613 P CB 0.513 32.175 31.700 -0.064 0.000 1.222 614 T N 0.000 114.509 114.554 -0.076 0.000 3.816 614 T HA 0.000 4.350 4.350 0.001 0.000 0.228 614 T CA 0.000 62.047 62.100 -0.088 0.000 1.349 614 T CB 0.000 68.820 68.868 -0.079 0.000 0.612 614 T HN 0.000 nan 8.240 nan 0.000 0.658