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 1qfu_1_A DATA FIRST_RESID 9 DATA SEQUENCE STATLCLGHH AVPNGTLVKT ITDDQIEVTN ATELVQSSST GKIcNNPHRI DATA SEQUENCE LDGIDcTLID ALLGDPHcDV FQNETWDLFV ERSKAFSNcY PYDVPDYASL DATA SEQUENCE RSLVASSGTL EFITEGFTWT GVTQNGGSNA cKRGPGSGFF SRLNWLTKSG DATA SEQUENCE STYPVLNVTM PNNDNFDKLY IWGIHHPSTN QEQTSLYVQA SGRVTVSTRR DATA SEQUENCE SQQTIIPNIG SRPWVRGLSS RISIYWTIVK PGDVLVINSN GNLIAPRGYF DATA SEQUENCE KMRTGKSSIM RSDAPIDTcI SEcITPNGSI PNDKPFQNVN KITYGAcPKY DATA SEQUENCE VKQNTLKLAT GMRNVPEK 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.600 174.600 -0.001 0.000 1.055 9 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 9 S CB 0.000 63.200 63.200 -0.001 0.000 0.593 10 T N 0.293 114.846 114.554 -0.001 0.000 2.907 10 T HA 0.945 5.295 4.350 -0.000 0.000 0.290 10 T C -0.623 174.076 174.700 -0.001 0.000 1.066 10 T CA -0.353 61.746 62.100 -0.001 0.000 1.012 10 T CB 1.773 70.640 68.868 -0.001 0.000 1.184 10 T HN 1.574 nan 8.240 nan 0.000 0.522 11 A N 0.646 123.465 122.820 -0.001 0.000 2.594 11 A HA 0.781 5.101 4.320 -0.000 0.000 0.295 11 A C -0.562 177.021 177.584 -0.002 0.000 1.071 11 A CA -0.929 51.107 52.037 -0.002 0.000 0.685 11 A CB 1.542 20.541 19.000 -0.002 0.000 1.285 11 A HN 0.902 nan 8.150 nan 0.000 0.405 12 T N 1.290 115.843 114.554 -0.003 0.000 2.829 12 T HA 0.603 4.953 4.350 -0.000 0.000 0.280 12 T C -1.192 173.506 174.700 -0.004 0.000 0.999 12 T CA -0.232 61.866 62.100 -0.003 0.000 0.983 12 T CB 1.178 70.044 68.868 -0.004 0.000 0.968 12 T HN 0.732 nan 8.240 nan 0.000 0.446 13 L N 3.261 124.482 121.223 -0.004 0.000 2.372 13 L HA 0.636 4.976 4.340 -0.000 0.000 0.274 13 L C -1.331 175.537 176.870 -0.005 0.000 0.988 13 L CA -0.447 54.391 54.840 -0.004 0.000 0.833 13 L CB 0.810 42.868 42.059 -0.003 0.000 1.236 13 L HN 0.801 nan 8.230 nan 0.000 0.410 14 C N 5.674 124.970 119.300 -0.007 0.000 2.319 14 C HA 0.583 5.043 4.460 -0.000 0.000 0.323 14 C C -0.081 174.903 174.990 -0.011 0.000 1.277 14 C CA -1.228 57.784 59.018 -0.010 0.000 1.517 14 C CB 0.745 28.476 27.740 -0.015 0.000 2.206 14 C HN 0.569 nan 8.230 nan 0.000 0.486 15 L N 3.140 124.358 121.223 -0.007 0.000 2.418 15 L HA 0.752 5.091 4.340 -0.000 0.000 0.265 15 L C 0.776 177.638 176.870 -0.013 0.000 1.143 15 L CA 1.028 55.866 54.840 -0.003 0.000 0.809 15 L CB 0.755 42.819 42.059 0.008 0.000 1.124 15 L HN 1.005 nan 8.230 nan 0.000 0.456 16 G N 0.684 109.477 108.800 -0.013 0.000 2.554 16 G HA2 0.576 4.536 3.960 -0.000 0.000 0.306 16 G HA3 0.576 4.536 3.960 -0.000 0.000 0.306 16 G C -1.717 173.180 174.900 -0.006 0.000 1.320 16 G CA -0.431 44.631 45.100 -0.063 0.000 0.800 16 G HN 0.802 nan 8.290 nan 0.000 0.481 17 H N -2.086 117.001 119.070 0.028 0.000 3.008 17 H HA 0.715 5.271 4.556 -0.000 0.000 0.354 17 H C -0.031 175.370 175.328 0.120 0.000 1.252 17 H CA -0.633 55.440 56.048 0.041 0.000 1.117 17 H CB 0.500 30.292 29.762 0.051 0.000 1.857 17 H HN 0.935 nan 8.280 nan 0.000 0.547 18 H N 0.662 119.848 119.070 0.193 0.000 2.581 18 H HA 0.779 5.335 4.556 -0.000 0.000 0.369 18 H C -0.816 174.621 175.328 0.183 0.000 1.351 18 H CA -0.723 55.397 56.048 0.121 0.000 1.434 18 H CB 0.785 30.591 29.762 0.073 0.000 1.558 18 H HN 0.877 nan 8.280 nan 0.000 0.608 19 A N 0.611 123.460 122.820 0.048 0.000 2.612 19 A HA 0.500 4.820 4.320 -0.000 0.000 0.293 19 A C -0.906 176.595 177.584 -0.138 0.000 1.075 19 A CA -0.248 51.753 52.037 -0.060 0.000 0.680 19 A CB 1.510 20.530 19.000 0.034 0.000 1.279 19 A HN 0.943 nan 8.150 nan 0.000 0.411 20 V N -0.932 118.901 119.914 -0.135 0.000 2.864 20 V HA 0.767 4.887 4.120 -0.000 0.000 0.314 20 V C -1.809 174.253 176.094 -0.054 0.000 1.073 20 V CA -1.539 60.700 62.300 -0.102 0.000 0.956 20 V CB 1.472 33.221 31.823 -0.123 0.000 1.023 20 V HN 0.722 nan 8.190 nan 0.000 0.435 21 P HA -0.129 nan 4.420 nan 0.000 0.215 21 P C 0.023 177.310 177.300 -0.021 0.000 1.157 21 P CA 1.509 64.595 63.100 -0.023 0.000 0.868 21 P CB -0.120 31.570 31.700 -0.017 0.000 0.788 22 N N 0.037 118.723 118.700 -0.024 0.000 2.483 22 N HA 0.368 5.108 4.740 -0.000 0.000 0.267 22 N C 0.085 175.580 175.510 -0.026 0.000 0.998 22 N CA -0.700 52.338 53.050 -0.020 0.000 0.918 22 N CB 1.639 40.117 38.487 -0.015 0.000 1.215 22 N HN -0.037 nan 8.380 nan 0.000 0.500 23 G N 0.179 108.964 108.800 -0.024 0.000 2.606 23 G HA2 0.595 4.555 3.960 -0.000 0.000 0.262 23 G HA3 0.595 4.555 3.960 -0.000 0.000 0.262 23 G C -0.982 173.908 174.900 -0.017 0.000 1.394 23 G CA -0.460 44.624 45.100 -0.026 0.000 1.044 23 G HN 0.445 nan 8.290 nan 0.000 0.553 24 T N 0.731 115.276 114.554 -0.015 0.000 2.881 24 T HA 0.424 4.774 4.350 -0.000 0.000 0.291 24 T C -0.041 174.654 174.700 -0.008 0.000 0.990 24 T CA -0.237 61.858 62.100 -0.010 0.000 0.976 24 T CB 1.148 70.012 68.868 -0.007 0.000 0.970 24 T HN 0.330 nan 8.240 nan 0.000 0.438 25 L N 3.929 125.148 121.223 -0.007 0.000 2.416 25 L HA 0.596 4.936 4.340 -0.000 0.000 0.272 25 L C 0.534 177.400 176.870 -0.006 0.000 1.161 25 L CA -0.387 54.449 54.840 -0.007 0.000 0.845 25 L CB 0.244 42.298 42.059 -0.007 0.000 1.119 25 L HN 0.447 nan 8.230 nan 0.000 0.464 26 V N 0.372 120.283 119.914 -0.006 0.000 3.167 26 V HA 0.629 4.749 4.120 -0.000 0.000 0.310 26 V C -0.775 175.314 176.094 -0.008 0.000 1.207 26 V CA -1.093 61.203 62.300 -0.006 0.000 1.059 26 V CB 2.022 33.843 31.823 -0.003 0.000 1.079 26 V HN 0.743 nan 8.190 nan 0.000 0.446 27 K N 0.652 121.046 120.400 -0.009 0.000 2.203 27 K HA 0.818 5.138 4.320 -0.000 0.000 0.251 27 K C -0.355 176.240 176.600 -0.009 0.000 0.944 27 K CA 0.184 56.465 56.287 -0.011 0.000 0.829 27 K CB 2.050 34.541 32.500 -0.016 0.000 1.125 27 K HN 1.243 nan 8.250 nan 0.000 0.430 28 T N -0.137 114.411 114.554 -0.009 0.000 2.669 28 T HA 0.330 4.679 4.350 -0.000 0.000 0.283 28 T C 1.236 175.931 174.700 -0.008 0.000 1.019 28 T CA -0.943 61.153 62.100 -0.007 0.000 1.039 28 T CB 0.358 69.222 68.868 -0.006 0.000 1.374 28 T HN 0.332 nan 8.240 nan 0.000 0.523 29 I N 1.474 122.040 120.570 -0.007 0.000 2.315 29 I HA -0.063 4.107 4.170 -0.000 0.000 0.248 29 I C 2.448 178.561 176.117 -0.007 0.000 1.117 29 I CA 2.068 63.363 61.300 -0.007 0.000 1.404 29 I CB -1.554 36.443 38.000 -0.005 0.000 1.071 29 I HN 0.966 nan 8.210 nan 0.000 0.419 30 T N -4.200 110.350 114.554 -0.006 0.000 2.985 30 T HA 0.191 4.541 4.350 -0.000 0.000 0.254 30 T C 0.637 175.333 174.700 -0.006 0.000 1.021 30 T CA -0.219 61.877 62.100 -0.006 0.000 0.957 30 T CB 0.813 69.678 68.868 -0.005 0.000 1.047 30 T HN 0.042 nan 8.240 nan 0.000 0.511 31 D N 0.797 121.193 120.400 -0.007 0.000 2.649 31 D HA 0.285 4.925 4.640 -0.000 0.000 0.249 31 D C -0.156 176.139 176.300 -0.008 0.000 1.112 31 D CA -0.275 53.721 54.000 -0.007 0.000 0.850 31 D CB 2.827 43.623 40.800 -0.006 0.000 1.399 31 D HN -0.077 nan 8.370 nan 0.000 0.503 32 D N 1.454 121.849 120.400 -0.009 0.000 2.078 32 D HA -0.090 4.550 4.640 -0.000 0.000 0.193 32 D C -0.160 176.134 176.300 -0.010 0.000 0.990 32 D CA 1.627 55.621 54.000 -0.010 0.000 0.827 32 D CB 0.492 41.286 40.800 -0.010 0.000 0.975 32 D HN 0.305 nan 8.370 nan 0.000 0.451 33 Q N -0.171 119.624 119.800 -0.008 0.000 2.292 33 Q HA 0.522 4.862 4.340 -0.000 0.000 0.270 33 Q C -1.293 174.703 176.000 -0.007 0.000 1.024 33 Q CA -0.417 55.381 55.803 -0.008 0.000 0.768 33 Q CB 2.880 31.613 28.738 -0.008 0.000 1.250 33 Q HN 0.218 nan 8.270 nan 0.000 0.447 34 I N 1.533 122.099 120.570 -0.007 0.000 2.569 34 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 34 I C -0.877 175.236 176.117 -0.007 0.000 1.088 34 I CA -0.522 60.774 61.300 -0.006 0.000 1.047 34 I CB 1.853 39.849 38.000 -0.007 0.000 1.237 34 I HN 0.602 nan 8.210 nan 0.000 0.421 35 E N 6.964 127.160 120.200 -0.007 0.000 2.290 35 E HA 0.421 4.771 4.350 -0.000 0.000 0.277 35 E C -1.129 175.464 176.600 -0.011 0.000 1.035 35 E CA -0.486 55.909 56.400 -0.008 0.000 0.873 35 E CB 1.067 30.762 29.700 -0.008 0.000 1.029 35 E HN 0.455 nan 8.360 nan 0.000 0.419 36 V N 1.309 121.215 119.914 -0.013 0.000 3.046 36 V HA 0.400 4.520 4.120 -0.000 0.000 0.316 36 V C 1.028 177.108 176.094 -0.024 0.000 1.104 36 V CA -0.009 62.282 62.300 -0.015 0.000 1.006 36 V CB 1.235 33.053 31.823 -0.008 0.000 1.058 36 V HN 0.824 nan 8.190 nan 0.000 0.440 37 T N -1.529 113.006 114.554 -0.032 0.000 3.035 37 T HA 0.122 4.471 4.350 -0.000 0.000 0.268 37 T C 0.627 175.304 174.700 -0.039 0.000 1.109 37 T CA 1.328 63.387 62.100 -0.067 0.000 1.119 37 T CB -0.574 68.206 68.868 -0.147 0.000 0.900 37 T HN 0.886 nan 8.240 nan 0.000 0.503 38 N N -0.454 118.240 118.700 -0.011 0.000 3.043 38 N HA 0.614 5.354 4.740 -0.000 0.000 0.243 38 N C -2.101 173.413 175.510 0.006 0.000 1.347 38 N CA 0.027 53.077 53.050 0.000 0.000 0.896 38 N CB 1.594 40.090 38.487 0.015 0.000 1.501 38 N HN 0.440 nan 8.380 nan 0.000 0.504 39 A N 0.084 122.909 122.820 0.007 0.000 2.608 39 A HA 0.702 5.022 4.320 -0.000 0.000 0.292 39 A C -1.380 176.211 177.584 0.012 0.000 1.066 39 A CA -0.498 51.545 52.037 0.009 0.000 0.676 39 A CB 1.451 20.455 19.000 0.006 0.000 1.277 39 A HN 0.459 nan 8.150 nan 0.000 0.413 40 T N -0.055 114.509 114.554 0.015 0.000 2.893 40 T HA 0.571 4.921 4.350 -0.000 0.000 0.291 40 T C -0.920 173.794 174.700 0.023 0.000 1.028 40 T CA -0.191 61.919 62.100 0.017 0.000 0.995 40 T CB 1.376 70.253 68.868 0.015 0.000 1.051 40 T HN 0.787 nan 8.240 nan 0.000 0.470 41 E N 3.009 123.224 120.200 0.024 0.000 2.229 41 E HA 0.316 4.666 4.350 -0.000 0.000 0.283 41 E C 0.397 177.027 176.600 0.050 0.000 1.030 41 E CA -0.065 56.355 56.400 0.033 0.000 0.836 41 E CB 0.530 30.246 29.700 0.027 0.000 1.068 41 E HN 0.566 nan 8.360 nan 0.000 0.401 42 L N 3.300 124.572 121.223 0.081 0.000 2.513 42 L HA 0.235 4.575 4.340 -0.000 0.000 0.222 42 L C -0.044 176.942 176.870 0.194 0.000 1.096 42 L CA -0.018 54.908 54.840 0.143 0.000 0.857 42 L CB 0.566 42.766 42.059 0.236 0.000 1.026 42 L HN 0.333 nan 8.230 nan 0.000 0.469 43 V N 1.022 121.014 119.914 0.130 0.000 2.328 43 V HA 0.159 4.279 4.120 -0.000 0.000 0.278 43 V C -0.020 176.116 176.094 0.071 0.000 1.021 43 V CA -0.511 61.858 62.300 0.114 0.000 0.838 43 V CB 1.419 33.267 31.823 0.043 0.000 0.999 43 V HN 0.179 nan 8.190 nan 0.000 0.447 44 Q N 3.842 123.688 119.800 0.076 0.000 2.307 44 Q HA 0.181 4.520 4.340 -0.000 0.000 0.261 44 Q C 0.785 176.819 176.000 0.056 0.000 1.051 44 Q CA 0.504 56.341 55.803 0.056 0.000 0.911 44 Q CB 1.062 29.834 28.738 0.057 0.000 1.227 44 Q HN 0.862 nan 8.270 nan 0.000 0.418 45 S N 1.264 116.990 115.700 0.043 0.000 2.629 45 S HA 0.331 4.801 4.470 -0.000 0.000 0.236 45 S C -0.159 174.466 174.600 0.042 0.000 1.010 45 S CA 0.053 58.279 58.200 0.042 0.000 0.981 45 S CB 0.154 63.371 63.200 0.028 0.000 0.919 45 S HN 0.515 nan 8.310 nan 0.000 0.514 46 S N 0.045 115.769 115.700 0.040 0.000 2.588 46 S HA 0.823 5.293 4.470 -0.000 0.000 0.275 46 S C -0.714 173.908 174.600 0.036 0.000 1.130 46 S CA -0.630 57.591 58.200 0.035 0.000 0.855 46 S CB 1.768 64.984 63.200 0.027 0.000 1.116 46 S HN 0.206 nan 8.310 nan 0.000 0.472 47 S N -0.536 115.183 115.700 0.033 0.000 2.632 47 S HA 0.650 5.120 4.470 -0.000 0.000 0.289 47 S C 0.815 175.429 174.600 0.024 0.000 1.115 47 S CA -0.086 58.133 58.200 0.031 0.000 0.889 47 S CB 1.336 64.556 63.200 0.035 0.000 1.116 47 S HN 0.974 nan 8.310 nan 0.000 0.486 48 T N 0.045 114.613 114.554 0.022 0.000 3.043 48 T HA 0.340 4.689 4.350 -0.000 0.000 0.263 48 T C 1.507 176.217 174.700 0.016 0.000 1.094 48 T CA 0.803 62.913 62.100 0.018 0.000 1.127 48 T CB -0.255 68.622 68.868 0.016 0.000 0.905 48 T HN 1.598 nan 8.240 nan 0.000 0.490 49 G N 0.775 109.586 108.800 0.018 0.000 2.234 49 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.235 49 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.235 49 G C 0.030 174.937 174.900 0.012 0.000 0.997 49 G CA -0.095 45.014 45.100 0.015 0.000 0.623 49 G HN 0.582 nan 8.290 nan 0.000 0.514 50 K N 0.371 120.780 120.400 0.014 0.000 2.098 50 K HA 0.797 5.116 4.320 -0.000 0.000 0.258 50 K C 0.345 176.956 176.600 0.017 0.000 0.973 50 K CA -0.496 55.798 56.287 0.012 0.000 0.898 50 K CB 1.331 33.837 32.500 0.011 0.000 1.057 50 K HN 0.249 nan 8.250 nan 0.000 0.447 51 I N 1.680 122.259 120.570 0.015 0.000 2.460 51 I HA 0.285 4.455 4.170 -0.000 0.000 0.298 51 I C -0.529 175.604 176.117 0.027 0.000 0.989 51 I CA -0.931 60.384 61.300 0.025 0.000 1.173 51 I CB 1.622 39.630 38.000 0.013 0.000 1.338 51 I HN 0.452 nan 8.210 nan 0.000 0.456 52 c N 4.496 123.121 118.600 0.042 0.000 2.341 52 c HA 0.165 4.735 4.570 -0.000 0.000 0.338 52 c C 1.656 175.772 174.090 0.044 0.000 1.257 52 c CA -0.860 55.489 56.329 0.034 0.000 1.883 52 c CB 0.486 43.012 42.510 0.027 0.000 2.334 52 c HN 0.806 nan 8.230 nan 0.000 0.524 53 N N 1.672 120.389 118.700 0.029 0.000 2.571 53 N HA -0.084 4.656 4.740 -0.000 0.000 0.189 53 N C -0.412 175.118 175.510 0.033 0.000 1.154 53 N CA 0.545 53.616 53.050 0.035 0.000 0.907 53 N CB -0.190 38.310 38.487 0.022 0.000 0.977 53 N HN 0.733 nan 8.380 nan 0.000 0.449 54 N N -0.030 118.677 118.700 0.012 0.000 2.242 54 N HA 0.282 5.022 4.740 -0.000 0.000 0.292 54 N C -2.504 172.951 175.510 -0.092 0.000 1.125 54 N CA -1.392 51.642 53.050 -0.027 0.000 0.783 54 N CB 2.882 41.354 38.487 -0.025 0.000 1.558 54 N HN -0.134 nan 8.380 nan 0.000 0.472 55 P HA 0.015 nan 4.420 nan 0.000 0.255 55 P C -0.802 176.411 177.300 -0.146 0.000 1.248 55 P CA 0.621 63.604 63.100 -0.196 0.000 0.807 55 P CB 0.272 31.823 31.700 -0.248 0.000 1.150 56 H N 0.616 119.732 119.070 0.077 0.000 2.473 56 H HA 0.282 4.838 4.556 -0.000 0.000 0.327 56 H C 0.459 175.846 175.328 0.098 0.000 1.105 56 H CA -0.556 55.565 56.048 0.122 0.000 1.280 56 H CB 1.119 31.017 29.762 0.227 0.000 1.450 56 H HN -0.054 nan 8.280 nan 0.000 0.492 57 R N 3.272 123.905 120.500 0.221 0.000 2.345 57 R HA 0.079 4.419 4.340 -0.000 0.000 0.331 57 R C -0.436 175.953 176.300 0.149 0.000 1.067 57 R CA -0.339 55.849 56.100 0.147 0.000 0.962 57 R CB -0.163 30.211 30.300 0.123 0.000 0.987 57 R HN 0.376 nan 8.270 nan 0.000 0.451 58 I N 5.733 126.362 120.570 0.099 0.000 2.321 58 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 58 I C -0.122 175.982 176.117 -0.021 0.000 0.998 58 I CA -1.085 60.233 61.300 0.030 0.000 1.227 58 I CB 1.091 39.095 38.000 0.008 0.000 1.368 58 I HN 0.386 nan 8.210 nan 0.000 0.466 59 L N 6.741 127.899 121.223 -0.109 0.000 2.262 59 L HA 0.408 4.747 4.340 -0.000 0.000 0.288 59 L C -0.132 176.445 176.870 -0.489 0.000 1.035 59 L CA -0.118 54.594 54.840 -0.214 0.000 0.820 59 L CB 0.676 42.617 42.059 -0.197 0.000 1.204 59 L HN 0.409 nan 8.230 nan 0.000 0.424 60 D N 3.272 123.496 120.400 -0.293 0.000 2.371 60 D HA 0.166 4.806 4.640 -0.000 0.000 0.256 60 D C 1.184 177.219 176.300 -0.442 0.000 1.193 60 D CA 0.493 54.301 54.000 -0.320 0.000 0.881 60 D CB 1.767 42.490 40.800 -0.128 0.000 1.143 60 D HN 0.756 nan 8.370 nan 0.000 0.473 61 G N 4.082 112.445 108.800 -0.729 0.000 2.679 61 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.212 61 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.212 61 G C 1.418 176.206 174.900 -0.186 0.000 1.137 61 G CA 0.482 45.108 45.100 -0.790 0.000 0.787 61 G HN 0.774 nan 8.290 nan 0.000 0.534 62 I N 0.142 120.673 120.570 -0.064 0.000 4.907 62 I HA -0.375 3.795 4.170 -0.000 0.000 0.038 62 I C 0.780 176.892 176.117 -0.008 0.000 0.635 62 I CA 1.965 63.281 61.300 0.025 0.000 0.207 62 I CB -0.799 37.266 38.000 0.109 0.000 0.321 62 I HN 0.129 nan 8.210 nan 0.000 0.150 63 D N 1.248 121.631 120.400 -0.029 0.000 2.340 63 D HA 0.232 4.872 4.640 -0.000 0.000 0.217 63 D C -0.200 175.929 176.300 -0.286 0.000 1.081 63 D CA 0.394 54.310 54.000 -0.141 0.000 0.842 63 D CB 0.095 40.770 40.800 -0.207 0.000 0.934 63 D HN 0.220 nan 8.370 nan 0.000 0.511 64 c N 1.328 119.821 118.600 -0.179 0.000 2.411 64 c HA 0.447 5.017 4.570 -0.000 0.000 0.330 64 c C 1.124 175.171 174.090 -0.072 0.000 1.224 64 c CA -0.758 55.462 56.329 -0.182 0.000 1.770 64 c CB 1.336 43.778 42.510 -0.113 0.000 2.297 64 c HN 0.293 nan 8.230 nan 0.000 0.507 65 T N 0.390 114.901 114.554 -0.072 0.000 2.770 65 T HA 0.294 4.644 4.350 -0.000 0.000 0.281 65 T C 0.959 175.470 174.700 -0.316 0.000 0.981 65 T CA -0.520 61.526 62.100 -0.090 0.000 0.955 65 T CB 0.425 69.283 68.868 -0.018 0.000 1.060 65 T HN 0.439 nan 8.240 nan 0.000 0.531 66 L N 0.223 121.053 121.223 -0.654 0.000 2.072 66 L HA 0.077 4.417 4.340 -0.000 0.000 0.205 66 L C 2.275 178.778 176.870 -0.611 0.000 1.079 66 L CA 1.335 55.552 54.840 -1.038 0.000 0.752 66 L CB -1.049 40.241 42.059 -1.281 0.000 0.906 66 L HN 0.677 nan 8.230 nan 0.000 0.436 67 I N 0.263 120.552 120.570 -0.469 0.000 2.091 67 I HA -0.313 3.856 4.170 -0.000 0.000 0.239 67 I C 2.137 178.072 176.117 -0.304 0.000 1.061 67 I CA 1.518 62.590 61.300 -0.380 0.000 1.317 67 I CB -1.566 36.283 38.000 -0.252 0.000 1.031 67 I HN 0.320 nan 8.210 nan 0.000 0.401 68 D N 0.712 121.017 120.400 -0.159 0.000 2.265 68 D HA -0.103 4.537 4.640 -0.000 0.000 0.208 68 D C 2.108 178.338 176.300 -0.118 0.000 0.977 68 D CA 1.328 55.264 54.000 -0.107 0.000 0.871 68 D CB 0.042 40.876 40.800 0.056 0.000 0.925 68 D HN 0.382 nan 8.370 nan 0.000 0.485 69 A N 0.157 122.878 122.820 -0.165 0.000 2.021 69 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 69 A C 2.033 179.547 177.584 -0.117 0.000 1.163 69 A CA 0.259 52.250 52.037 -0.076 0.000 0.676 69 A CB -0.240 18.710 19.000 -0.084 0.000 0.818 69 A HN 0.210 nan 8.150 nan 0.000 0.453 70 L N -0.008 121.056 121.223 -0.266 0.000 2.023 70 L HA -0.036 4.304 4.340 -0.000 0.000 0.205 70 L C 2.222 178.960 176.870 -0.219 0.000 1.073 70 L CA 1.734 56.362 54.840 -0.352 0.000 0.745 70 L CB -0.576 41.166 42.059 -0.528 0.000 0.900 70 L HN 0.374 nan 8.230 nan 0.000 0.435 71 L N -0.380 120.640 121.223 -0.337 0.000 1.976 71 L HA 0.063 4.403 4.340 -0.000 0.000 0.209 71 L C 1.615 178.344 176.870 -0.235 0.000 1.071 71 L CA 1.210 55.788 54.840 -0.437 0.000 0.746 71 L CB -0.880 40.577 42.059 -1.004 0.000 0.890 71 L HN 0.571 nan 8.230 nan 0.000 0.432 72 G N -0.669 108.063 108.800 -0.114 0.000 2.207 72 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.193 72 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.193 72 G C -0.260 174.761 174.900 0.202 0.000 1.050 72 G CA -0.243 44.887 45.100 0.050 0.000 0.780 72 G HN 0.261 nan 8.290 nan 0.000 0.504 73 D N 0.833 121.410 120.400 0.294 0.000 2.586 73 D HA 0.098 4.738 4.640 -0.000 0.000 0.234 73 D C -0.065 176.371 176.300 0.226 0.000 1.132 73 D CA -0.703 53.494 54.000 0.329 0.000 0.860 73 D CB 1.172 42.200 40.800 0.380 0.000 1.159 73 D HN 0.131 nan 8.370 nan 0.000 0.490 74 P HA -0.238 nan 4.420 nan 0.000 0.222 74 P C 0.874 178.279 177.300 0.175 0.000 1.159 74 P CA 2.359 65.542 63.100 0.139 0.000 0.920 74 P CB -0.294 31.468 31.700 0.103 0.000 0.793 75 H N -3.197 115.898 119.070 0.042 0.000 2.563 75 H HA 0.138 4.694 4.556 -0.000 0.000 0.272 75 H C 0.631 175.958 175.328 -0.001 0.000 1.005 75 H CA 0.402 56.460 56.048 0.017 0.000 1.171 75 H CB -0.780 29.000 29.762 0.031 0.000 1.351 75 H HN 0.110 nan 8.280 nan 0.000 0.602 76 c N 0.347 118.903 118.600 -0.074 0.000 3.183 76 c HA 0.090 4.660 4.570 -0.000 0.000 0.285 76 c C 1.657 175.762 174.090 0.026 0.000 1.313 76 c CA -0.426 55.877 56.329 -0.044 0.000 1.711 76 c CB 0.078 42.589 42.510 0.003 0.000 2.135 76 c HN 0.645 nan 8.230 nan 0.000 0.651 77 D N 1.043 121.446 120.400 0.006 0.000 2.351 77 D HA -0.113 4.527 4.640 -0.000 0.000 0.216 77 D C 1.993 178.258 176.300 -0.059 0.000 0.968 77 D CA 0.831 54.836 54.000 0.008 0.000 0.899 77 D CB 0.140 40.955 40.800 0.026 0.000 0.907 77 D HN 0.370 nan 8.370 nan 0.000 0.514 78 V N 0.087 119.882 119.914 -0.199 0.000 2.913 78 V HA -0.185 3.935 4.120 -0.000 0.000 0.260 78 V C 0.908 176.761 176.094 -0.403 0.000 1.098 78 V CA 1.094 63.194 62.300 -0.334 0.000 1.121 78 V CB -0.455 31.078 31.823 -0.484 0.000 0.714 78 V HN 0.018 nan 8.190 nan 0.000 0.487 79 F N 0.361 120.311 119.950 -0.001 0.000 2.660 79 F HA 0.382 4.909 4.527 -0.000 0.000 0.297 79 F C 1.135 176.975 175.800 0.066 0.000 1.132 79 F CA -0.701 57.317 58.000 0.029 0.000 1.372 79 F CB -0.360 38.653 39.000 0.021 0.000 1.003 79 F HN 0.193 nan 8.300 nan 0.000 0.524 80 Q N 0.725 120.619 119.800 0.157 0.000 2.297 80 Q HA 0.047 4.387 4.340 -0.000 0.000 0.267 80 Q C 0.277 176.377 176.000 0.167 0.000 1.006 80 Q CA 0.103 55.997 55.803 0.153 0.000 0.896 80 Q CB 0.314 29.108 28.738 0.093 0.000 1.186 80 Q HN 0.243 nan 8.270 nan 0.000 0.392 81 N N 0.748 119.569 118.700 0.202 0.000 2.800 81 N HA -0.147 4.593 4.740 -0.000 0.000 0.250 81 N C -0.803 174.815 175.510 0.180 0.000 1.078 81 N CA 0.913 54.070 53.050 0.178 0.000 0.804 81 N CB -0.554 38.006 38.487 0.121 0.000 1.135 81 N HN 0.527 nan 8.380 nan 0.000 0.565 82 E N 0.206 120.560 120.200 0.257 0.000 2.371 82 E HA 0.455 4.805 4.350 -0.000 0.000 0.257 82 E C 0.746 177.528 176.600 0.302 0.000 1.134 82 E CA 0.247 56.822 56.400 0.293 0.000 0.919 82 E CB 0.718 30.659 29.700 0.401 0.000 1.025 82 E HN 0.389 nan 8.360 nan 0.000 0.438 83 T N -1.415 113.290 114.554 0.250 0.000 2.903 83 T HA 0.761 5.111 4.350 -0.000 0.000 0.299 83 T C -0.881 173.945 174.700 0.211 0.000 1.093 83 T CA -1.014 61.108 62.100 0.036 0.000 1.002 83 T CB 0.987 69.814 68.868 -0.068 0.000 1.127 83 T HN 0.588 nan 8.240 nan 0.000 0.488 84 W N 0.358 121.665 121.300 0.011 0.000 3.025 84 W HA 0.765 5.425 4.660 -0.000 0.000 0.343 84 W C -0.716 175.795 176.519 -0.014 0.000 1.246 84 W CA -0.908 56.434 57.345 -0.004 0.000 1.178 84 W CB 0.468 29.921 29.460 -0.011 0.000 1.463 84 W HN 0.452 nan 8.180 nan 0.000 0.578 85 D N 0.101 120.609 120.400 0.180 0.000 2.615 85 D HA 0.117 4.757 4.640 -0.000 0.000 0.259 85 D C -0.531 175.815 176.300 0.076 0.000 0.999 85 D CA 0.762 54.820 54.000 0.097 0.000 0.938 85 D CB 0.835 41.747 40.800 0.188 0.000 1.121 85 D HN 0.214 nan 8.370 nan 0.000 0.487 86 L N 0.940 122.215 121.223 0.086 0.000 2.404 86 L HA 0.367 4.707 4.340 -0.000 0.000 0.272 86 L C -1.501 175.321 176.870 -0.080 0.000 0.980 86 L CA -0.761 53.979 54.840 -0.166 0.000 0.836 86 L CB 1.675 43.451 42.059 -0.472 0.000 1.238 86 L HN -0.251 nan 8.230 nan 0.000 0.408 87 F N 5.772 125.472 119.950 -0.416 0.000 2.420 87 F HA 0.601 5.128 4.527 -0.000 0.000 0.352 87 F C -0.484 175.050 175.800 -0.443 0.000 1.108 87 F CA -0.331 57.245 58.000 -0.707 0.000 1.162 87 F CB 1.114 39.354 39.000 -1.267 0.000 1.118 87 F HN 0.214 nan 8.300 nan 0.000 0.510 88 V N 6.329 125.845 119.914 -0.663 0.000 2.311 88 V HA 0.232 4.352 4.120 -0.000 0.000 0.275 88 V C -0.188 175.716 176.094 -0.317 0.000 1.022 88 V CA -0.821 61.272 62.300 -0.344 0.000 0.830 88 V CB 0.779 32.442 31.823 -0.267 0.000 1.012 88 V HN 0.682 nan 8.190 nan 0.000 0.452 89 E N 3.701 123.882 120.200 -0.031 0.000 2.289 89 E HA 0.414 4.764 4.350 -0.000 0.000 0.278 89 E C -0.415 176.169 176.600 -0.026 0.000 1.032 89 E CA -0.718 55.706 56.400 0.040 0.000 0.854 89 E CB 1.253 30.996 29.700 0.073 0.000 1.046 89 E HN 0.417 nan 8.360 nan 0.000 0.409 90 R N 0.705 121.188 120.500 -0.028 0.000 2.457 90 R HA 0.064 4.404 4.340 -0.000 0.000 0.284 90 R C 1.262 177.569 176.300 0.013 0.000 1.024 90 R CA -0.105 55.986 56.100 -0.014 0.000 1.025 90 R CB 0.871 31.163 30.300 -0.014 0.000 1.063 90 R HN 0.613 nan 8.270 nan 0.000 0.493 91 S N 1.697 117.405 115.700 0.014 0.000 2.400 91 S HA -0.139 4.331 4.470 -0.000 0.000 0.232 91 S C 0.770 175.397 174.600 0.045 0.000 1.025 91 S CA 1.054 59.266 58.200 0.021 0.000 0.993 91 S CB -0.017 63.191 63.200 0.013 0.000 0.808 91 S HN 0.415 nan 8.310 nan 0.000 0.478 92 K N 1.816 122.257 120.400 0.069 0.000 2.437 92 K HA 0.487 4.807 4.320 -0.000 0.000 0.205 92 K C 0.432 177.159 176.600 0.212 0.000 1.026 92 K CA 0.298 56.660 56.287 0.124 0.000 1.153 92 K CB -0.036 32.537 32.500 0.121 0.000 0.863 92 K HN 0.494 nan 8.250 nan 0.000 0.502 93 A N 1.749 124.646 122.820 0.129 0.000 2.498 93 A HA 0.392 4.712 4.320 -0.000 0.000 0.239 93 A C -0.039 177.647 177.584 0.170 0.000 1.068 93 A CA -0.033 52.047 52.037 0.072 0.000 0.766 93 A CB -0.341 18.660 19.000 0.001 0.000 1.003 93 A HN 0.313 nan 8.150 nan 0.000 0.497 94 F N -0.331 119.724 119.950 0.174 0.000 2.613 94 F HA 0.760 5.287 4.527 -0.000 0.000 0.314 94 F C -0.119 175.825 175.800 0.241 0.000 1.075 94 F CA -1.009 57.083 58.000 0.154 0.000 0.945 94 F CB 1.233 40.288 39.000 0.091 0.000 1.310 94 F HN 0.305 nan 8.300 nan 0.000 0.467 95 S N 1.179 117.105 115.700 0.377 0.000 2.508 95 S HA 0.390 4.860 4.470 -0.000 0.000 0.284 95 S C -0.547 174.228 174.600 0.291 0.000 1.192 95 S CA -0.586 57.820 58.200 0.342 0.000 1.070 95 S CB 1.033 64.434 63.200 0.335 0.000 1.004 95 S HN 0.677 nan 8.310 nan 0.000 0.493 96 N N 1.007 119.811 118.700 0.173 0.000 2.646 96 N HA 0.337 5.077 4.740 -0.000 0.000 0.303 96 N C -0.955 174.575 175.510 0.034 0.000 1.921 96 N CA -0.146 52.943 53.050 0.065 0.000 0.872 96 N CB 0.438 38.887 38.487 -0.062 0.000 1.327 96 N HN 0.613 nan 8.380 nan 0.000 0.492 97 c N -0.572 118.064 118.600 0.061 0.000 3.221 97 c HA 0.495 5.065 4.570 -0.000 0.000 0.371 97 c C -0.861 173.209 174.090 -0.032 0.000 2.951 97 c CA -0.707 55.582 56.329 -0.067 0.000 1.273 97 c CB -0.221 42.139 42.510 -0.251 0.000 3.371 97 c HN 0.359 nan 8.230 nan 0.000 0.457 98 Y N 3.793 123.911 120.300 -0.303 0.000 2.544 98 Y HA 0.302 4.852 4.550 -0.000 0.000 0.330 98 Y C -1.714 174.265 175.900 0.132 0.000 1.136 98 Y CA -1.219 56.831 58.100 -0.083 0.000 1.417 98 Y CB 0.450 38.857 38.460 -0.088 0.000 1.229 98 Y HN 0.407 nan 8.280 nan 0.000 0.532 99 P HA -0.023 nan 4.420 nan 0.000 0.262 99 P C -1.478 176.076 177.300 0.423 0.000 1.199 99 P CA 0.754 64.000 63.100 0.243 0.000 0.763 99 P CB -0.010 31.715 31.700 0.042 0.000 0.790 100 Y N 1.141 121.559 120.300 0.197 0.000 2.698 100 Y HA 0.824 5.374 4.550 -0.000 0.000 0.332 100 Y C -0.879 175.055 175.900 0.057 0.000 1.119 100 Y CA -1.351 56.833 58.100 0.139 0.000 1.109 100 Y CB 1.419 39.953 38.460 0.124 0.000 1.308 100 Y HN 0.333 nan 8.280 nan 0.000 0.499 101 D N -0.412 120.039 120.400 0.085 0.000 2.655 101 D HA 0.471 5.110 4.640 -0.000 0.000 0.229 101 D C -1.943 174.400 176.300 0.072 0.000 1.229 101 D CA -0.535 53.423 54.000 -0.071 0.000 0.807 101 D CB 2.185 42.936 40.800 -0.082 0.000 1.514 101 D HN 0.575 nan 8.370 nan 0.000 0.444 102 V N 1.514 121.459 119.914 0.052 0.000 2.407 102 V HA 0.434 4.554 4.120 -0.000 0.000 0.291 102 V C -2.409 173.671 176.094 -0.024 0.000 1.018 102 V CA -1.458 60.870 62.300 0.046 0.000 0.842 102 V CB 1.526 33.471 31.823 0.203 0.000 0.996 102 V HN 0.457 nan 8.190 nan 0.000 0.426 103 P HA 0.350 nan 4.420 nan 0.000 0.282 103 P C -0.197 177.086 177.300 -0.027 0.000 1.274 103 P CA 0.229 63.246 63.100 -0.140 0.000 0.770 103 P CB 0.307 31.837 31.700 -0.283 0.000 0.867 104 D N 1.938 122.376 120.400 0.064 0.000 2.786 104 D HA -0.234 4.406 4.640 -0.000 0.000 0.243 104 D C 0.123 176.535 176.300 0.186 0.000 1.084 104 D CA 0.374 54.465 54.000 0.152 0.000 0.731 104 D CB -1.546 39.394 40.800 0.234 0.000 1.079 104 D HN 0.416 nan 8.370 nan 0.000 0.435 105 Y N 0.458 120.751 120.300 -0.012 0.000 2.224 105 Y HA -0.039 4.511 4.550 -0.000 0.000 0.289 105 Y C 2.144 177.977 175.900 -0.112 0.000 1.146 105 Y CA 2.645 60.705 58.100 -0.066 0.000 1.182 105 Y CB -0.421 37.994 38.460 -0.075 0.000 0.983 105 Y HN 0.264 nan 8.280 nan 0.000 0.524 106 A N -0.242 122.664 122.820 0.144 0.000 1.873 106 A HA -0.251 4.068 4.320 -0.000 0.000 0.218 106 A C 2.380 179.895 177.584 -0.115 0.000 1.193 106 A CA 2.561 54.615 52.037 0.028 0.000 0.629 106 A CB -1.276 17.753 19.000 0.048 0.000 0.826 106 A HN 0.536 nan 8.150 nan 0.000 0.447 107 S N -0.443 115.201 115.700 -0.093 0.000 2.402 107 S HA -0.089 4.380 4.470 -0.000 0.000 0.229 107 S C 1.802 176.126 174.600 -0.460 0.000 1.021 107 S CA 1.223 59.321 58.200 -0.171 0.000 0.974 107 S CB -0.445 62.755 63.200 -0.000 0.000 0.800 107 S HN 0.480 nan 8.310 nan 0.000 0.484 108 L N 2.352 123.174 121.223 -0.668 0.000 2.027 108 L HA 0.060 4.400 4.340 -0.000 0.000 0.206 108 L C 2.393 178.840 176.870 -0.705 0.000 1.074 108 L CA 1.702 55.936 54.840 -1.010 0.000 0.745 108 L CB -0.593 40.921 42.059 -0.908 0.000 0.898 108 L HN 0.138 nan 8.230 nan 0.000 0.433 109 R N -0.941 119.178 120.500 -0.636 0.000 2.081 109 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 109 R C 2.505 178.567 176.300 -0.398 0.000 1.131 109 R CA 1.626 57.378 56.100 -0.579 0.000 0.960 109 R CB -0.475 29.451 30.300 -0.625 0.000 0.856 109 R HN 0.586 nan 8.270 nan 0.000 0.436 110 S N 0.852 116.364 115.700 -0.312 0.000 2.351 110 S HA -0.168 4.302 4.470 -0.000 0.000 0.220 110 S C 2.058 176.533 174.600 -0.209 0.000 1.035 110 S CA 1.679 59.752 58.200 -0.210 0.000 1.031 110 S CB -0.398 62.710 63.200 -0.154 0.000 0.928 110 S HN 0.428 nan 8.310 nan 0.000 0.433 111 L N 0.930 121.989 121.223 -0.272 0.000 2.191 111 L HA 0.121 4.461 4.340 -0.000 0.000 0.212 111 L C 2.172 178.898 176.870 -0.239 0.000 1.103 111 L CA 1.386 56.076 54.840 -0.250 0.000 0.769 111 L CB -1.116 40.762 42.059 -0.302 0.000 0.908 111 L HN 0.226 nan 8.230 nan 0.000 0.438 112 V N 0.584 120.320 119.914 -0.295 0.000 2.407 112 V HA -0.083 4.037 4.120 -0.000 0.000 0.245 112 V C 3.030 179.118 176.094 -0.010 0.000 1.041 112 V CA 1.407 63.574 62.300 -0.222 0.000 1.040 112 V CB -1.110 30.507 31.823 -0.344 0.000 0.671 112 V HN 0.602 nan 8.190 nan 0.000 0.455 113 A N -0.350 122.445 122.820 -0.042 0.000 1.883 113 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 113 A C 2.555 180.245 177.584 0.177 0.000 1.186 113 A CA 2.446 54.569 52.037 0.143 0.000 0.624 113 A CB -0.866 18.093 19.000 -0.068 0.000 0.822 113 A HN 0.474 nan 8.150 nan 0.000 0.444 114 S N -1.099 114.604 115.700 0.006 0.000 2.423 114 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 114 S C 2.259 176.805 174.600 -0.090 0.000 1.014 114 S CA 1.651 59.833 58.200 -0.029 0.000 0.965 114 S CB -0.394 62.775 63.200 -0.052 0.000 0.785 114 S HN 0.608 nan 8.310 nan 0.000 0.495 115 S N -0.002 115.625 115.700 -0.123 0.000 2.368 115 S HA 0.133 4.603 4.470 -0.000 0.000 0.224 115 S C 1.462 175.845 174.600 -0.361 0.000 1.029 115 S CA 1.543 59.628 58.200 -0.191 0.000 0.988 115 S CB -0.785 62.312 63.200 -0.171 0.000 0.838 115 S HN 1.214 nan 8.310 nan 0.000 0.462 116 G N 0.118 108.567 108.800 -0.584 0.000 2.147 116 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.244 116 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.244 116 G C 0.189 174.097 174.900 -1.653 0.000 1.005 116 G CA 0.640 44.836 45.100 -1.506 0.000 0.713 116 G HN 0.853 nan 8.290 nan 0.000 0.515 117 T N -1.076 112.864 114.554 -1.023 0.000 2.932 117 T HA 0.593 4.943 4.350 -0.000 0.000 0.318 117 T C 0.254 174.921 174.700 -0.054 0.000 1.265 117 T CA -0.559 61.254 62.100 -0.477 0.000 1.036 117 T CB 1.249 69.952 68.868 -0.275 0.000 1.209 117 T HN 0.393 nan 8.240 nan 0.000 0.484 118 L N 2.911 124.236 121.223 0.170 0.000 3.066 118 L HA 0.357 4.697 4.340 -0.000 0.000 0.265 118 L C 0.855 177.959 176.870 0.389 0.000 1.232 118 L CA -0.275 54.747 54.840 0.302 0.000 1.031 118 L CB 0.350 42.606 42.059 0.329 0.000 1.379 118 L HN 0.689 nan 8.230 nan 0.000 0.563 119 E N 0.901 121.250 120.200 0.248 0.000 2.265 119 E HA 0.017 4.366 4.350 -0.000 0.000 0.272 119 E C -1.087 175.626 176.600 0.189 0.000 1.067 119 E CA -0.311 56.193 56.400 0.174 0.000 0.900 119 E CB 0.658 30.389 29.700 0.051 0.000 1.017 119 E HN 0.005 nan 8.360 nan 0.000 0.431 120 F N 4.997 124.879 119.950 -0.114 0.000 2.422 120 F HA 0.405 4.932 4.527 -0.000 0.000 0.333 120 F C -0.566 175.003 175.800 -0.386 0.000 1.095 120 F CA -1.454 56.291 58.000 -0.425 0.000 1.038 120 F CB 1.052 39.751 39.000 -0.502 0.000 1.156 120 F HN 0.412 nan 8.300 nan 0.000 0.483 121 I N 4.405 124.308 120.570 -1.112 0.000 2.439 121 I HA 0.160 4.330 4.170 -0.000 0.000 0.283 121 I C -0.306 175.194 176.117 -1.028 0.000 1.023 121 I CA -0.530 60.217 61.300 -0.922 0.000 1.100 121 I CB 1.101 38.428 38.000 -1.121 0.000 1.238 121 I HN 0.464 nan 8.210 nan 0.000 0.445 122 T N 6.022 120.271 114.554 -0.508 0.000 2.834 122 T HA 0.246 4.596 4.350 -0.000 0.000 0.298 122 T C 0.301 174.948 174.700 -0.087 0.000 0.966 122 T CA -0.211 61.748 62.100 -0.236 0.000 1.141 122 T CB 0.871 69.748 68.868 0.015 0.000 0.905 122 T HN 0.430 nan 8.240 nan 0.000 0.535 123 E N 0.970 121.216 120.200 0.076 0.000 2.221 123 E HA 0.463 4.813 4.350 -0.000 0.000 0.268 123 E C 0.618 177.292 176.600 0.124 0.000 0.933 123 E CA -0.949 55.513 56.400 0.103 0.000 0.809 123 E CB 1.318 31.089 29.700 0.119 0.000 1.190 123 E HN 0.721 nan 8.360 nan 0.000 0.406 124 G N 2.386 111.173 108.800 -0.022 0.000 3.090 124 G HA2 0.055 4.015 3.960 -0.000 0.000 0.259 124 G HA3 0.055 4.015 3.960 -0.000 0.000 0.259 124 G C -0.531 174.301 174.900 -0.113 0.000 0.797 124 G CA -0.104 44.981 45.100 -0.026 0.000 2.032 124 G HN 0.242 nan 8.290 nan 0.000 0.614 125 F N 1.591 121.534 119.950 -0.011 0.000 2.456 125 F HA 0.302 4.828 4.527 -0.000 0.000 0.358 125 F C 1.324 176.878 175.800 -0.410 0.000 1.095 125 F CA -0.067 57.802 58.000 -0.217 0.000 1.216 125 F CB 1.430 40.464 39.000 0.057 0.000 1.125 125 F HN 0.160 nan 8.300 nan 0.000 0.549 126 T N 0.335 114.600 114.554 -0.482 0.000 2.788 126 T HA 0.333 4.682 4.350 -0.000 0.000 0.296 126 T C -1.029 173.310 174.700 -0.603 0.000 1.009 126 T CA -0.731 61.141 62.100 -0.381 0.000 0.949 126 T CB 0.076 68.815 68.868 -0.214 0.000 0.946 126 T HN 0.452 nan 8.240 nan 0.000 0.453 127 W N 2.520 123.863 121.300 0.071 0.000 2.292 127 W HA 0.364 5.024 4.660 -0.000 0.000 0.352 127 W C 0.281 176.791 176.519 -0.016 0.000 0.962 127 W CA -0.942 56.419 57.345 0.027 0.000 1.496 127 W CB 0.304 29.782 29.460 0.030 0.000 1.381 127 W HN 0.501 nan 8.180 nan 0.000 0.363 128 T N 3.017 117.616 114.554 0.075 0.000 2.754 128 T HA 0.303 4.653 4.350 -0.000 0.000 0.282 128 T C 0.974 175.676 174.700 0.005 0.000 0.923 128 T CA 0.976 63.089 62.100 0.022 0.000 1.164 128 T CB -0.024 68.832 68.868 -0.021 0.000 0.873 128 T HN 0.855 nan 8.240 nan 0.000 0.537 129 G N 2.697 111.497 108.800 0.000 0.000 2.353 129 G HA2 -0.048 3.911 3.960 -0.000 0.000 0.294 129 G HA3 -0.048 3.911 3.960 -0.000 0.000 0.294 129 G C -0.018 174.828 174.900 -0.089 0.000 1.077 129 G CA 0.031 45.110 45.100 -0.034 0.000 1.098 129 G HN 1.229 nan 8.290 nan 0.000 0.511 130 V N -3.801 116.072 119.914 -0.069 0.000 3.216 130 V HA 0.888 5.008 4.120 -0.000 0.000 0.302 130 V C 0.111 176.175 176.094 -0.049 0.000 1.286 130 V CA -0.735 61.484 62.300 -0.134 0.000 1.048 130 V CB 1.803 33.486 31.823 -0.233 0.000 1.081 130 V HN 0.533 nan 8.190 nan 0.000 0.442 131 T N 2.471 116.991 114.554 -0.057 0.000 2.738 131 T HA 0.431 4.781 4.350 -0.000 0.000 0.298 131 T C -0.092 174.572 174.700 -0.060 0.000 0.962 131 T CA -0.189 61.878 62.100 -0.055 0.000 0.972 131 T CB 0.699 69.514 68.868 -0.088 0.000 0.928 131 T HN 0.755 nan 8.240 nan 0.000 0.474 132 Q N 2.050 121.840 119.800 -0.016 0.000 2.407 132 Q HA 0.241 4.581 4.340 -0.000 0.000 0.214 132 Q C 0.397 176.390 176.000 -0.012 0.000 1.043 132 Q CA -0.742 55.058 55.803 -0.004 0.000 0.983 132 Q CB 0.407 29.188 28.738 0.072 0.000 1.211 132 Q HN 0.641 nan 8.270 nan 0.000 0.564 133 N N -0.565 118.151 118.700 0.028 0.000 2.727 133 N HA -0.157 4.583 4.740 -0.000 0.000 0.249 133 N C -0.181 175.332 175.510 0.006 0.000 1.048 133 N CA 0.579 53.664 53.050 0.058 0.000 0.714 133 N CB -1.605 36.925 38.487 0.072 0.000 0.959 133 N HN 0.787 nan 8.380 nan 0.000 0.544 134 G N -0.584 108.172 108.800 -0.074 0.000 2.491 134 G HA2 0.454 4.414 3.960 -0.000 0.000 0.238 134 G HA3 0.454 4.414 3.960 -0.000 0.000 0.238 134 G C 0.652 175.516 174.900 -0.060 0.000 1.277 134 G CA 0.428 45.387 45.100 -0.235 0.000 0.851 134 G HN 0.418 nan 8.290 nan 0.000 0.573 135 G N -1.274 107.510 108.800 -0.027 0.000 2.818 135 G HA2 0.693 4.653 3.960 -0.000 0.000 0.286 135 G HA3 0.693 4.653 3.960 -0.000 0.000 0.286 135 G C -0.992 174.037 174.900 0.215 0.000 1.364 135 G CA 0.145 45.326 45.100 0.136 0.000 0.938 135 G HN 1.232 nan 8.290 nan 0.000 0.490 136 S N -1.549 114.313 115.700 0.269 0.000 2.570 136 S HA 0.371 4.841 4.470 -0.000 0.000 0.270 136 S C -0.287 174.384 174.600 0.118 0.000 1.149 136 S CA -0.776 57.566 58.200 0.237 0.000 0.837 136 S CB 1.692 65.129 63.200 0.395 0.000 1.124 136 S HN 0.405 nan 8.310 nan 0.000 0.465 137 N N 1.465 120.191 118.700 0.044 0.000 2.383 137 N HA 0.161 4.901 4.740 -0.000 0.000 0.192 137 N C 1.203 176.696 175.510 -0.027 0.000 1.141 137 N CA 0.684 53.739 53.050 0.008 0.000 0.851 137 N CB 0.416 38.898 38.487 -0.009 0.000 0.976 137 N HN 0.607 nan 8.380 nan 0.000 0.465 138 A N -0.389 122.403 122.820 -0.047 0.000 1.943 138 A HA 0.009 4.329 4.320 -0.000 0.000 0.213 138 A C 1.567 179.124 177.584 -0.045 0.000 1.181 138 A CA 0.464 52.440 52.037 -0.102 0.000 0.653 138 A CB -0.096 18.764 19.000 -0.234 0.000 0.833 138 A HN 0.358 nan 8.150 nan 0.000 0.451 139 c N 2.279 120.884 118.600 0.009 0.000 2.438 139 c HA 0.372 4.942 4.570 -0.000 0.000 0.366 139 c C 0.277 174.387 174.090 0.034 0.000 1.390 139 c CA -1.096 55.229 56.329 -0.007 0.000 1.725 139 c CB -2.367 40.119 42.510 -0.039 0.000 2.664 139 c HN 0.335 nan 8.230 nan 0.000 0.578 140 K N 1.731 122.146 120.400 0.026 0.000 2.484 140 K HA 0.016 4.336 4.320 -0.000 0.000 0.280 140 K C 0.393 177.019 176.600 0.043 0.000 1.013 140 K CA 0.526 56.835 56.287 0.037 0.000 1.029 140 K CB 0.479 32.993 32.500 0.023 0.000 0.902 140 K HN 0.519 nan 8.250 nan 0.000 0.481 141 R N 2.375 122.907 120.500 0.054 0.000 2.664 141 R HA 0.201 4.541 4.340 -0.000 0.000 0.281 141 R C -0.050 176.280 176.300 0.050 0.000 1.383 141 R CA 0.294 56.428 56.100 0.058 0.000 1.563 141 R CB 0.047 30.390 30.300 0.071 0.000 1.131 141 R HN 0.961 nan 8.270 nan 0.000 0.599 142 G N 3.008 111.834 108.800 0.043 0.000 2.418 142 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.206 142 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.206 142 G C -1.838 173.081 174.900 0.031 0.000 1.202 142 G CA -0.242 44.880 45.100 0.036 0.000 1.061 142 G HN 0.395 nan 8.290 nan 0.000 0.563 143 P HA 0.216 nan 4.420 nan 0.000 0.227 143 P C 1.123 178.436 177.300 0.023 0.000 1.161 143 P CA 1.984 65.097 63.100 0.022 0.000 0.788 143 P CB 0.027 31.739 31.700 0.020 0.000 0.822 144 G N 0.384 109.201 108.800 0.028 0.000 2.613 144 G HA2 0.430 4.390 3.960 -0.000 0.000 0.303 144 G HA3 0.430 4.390 3.960 -0.000 0.000 0.303 144 G C -0.331 174.591 174.900 0.037 0.000 1.312 144 G CA -0.225 44.892 45.100 0.029 0.000 1.036 144 G HN 0.218 nan 8.290 nan 0.000 0.513 145 S N -1.601 114.123 115.700 0.040 0.000 2.600 145 S HA 0.762 5.231 4.470 -0.000 0.000 0.265 145 S C 0.445 175.095 174.600 0.084 0.000 1.325 145 S CA 0.271 58.506 58.200 0.058 0.000 1.002 145 S CB 1.391 64.623 63.200 0.054 0.000 0.921 145 S HN 1.683 nan 8.310 nan 0.000 0.554 146 G N -0.274 108.602 108.800 0.127 0.000 2.570 146 G HA2 0.616 4.576 3.960 -0.000 0.000 0.310 146 G HA3 0.616 4.576 3.960 -0.000 0.000 0.310 146 G C -1.776 173.306 174.900 0.304 0.000 1.266 146 G CA -0.569 44.633 45.100 0.170 0.000 0.825 146 G HN 0.691 nan 8.290 nan 0.000 0.483 147 F N -1.805 118.156 119.950 0.019 0.000 3.129 147 F HA 0.739 5.266 4.527 -0.000 0.000 0.326 147 F C -1.353 174.391 175.800 -0.094 0.000 1.202 147 F CA -2.026 55.934 58.000 -0.066 0.000 0.929 147 F CB 0.892 39.941 39.000 0.080 0.000 1.473 147 F HN 0.325 nan 8.300 nan 0.000 0.512 148 F N 2.239 121.939 119.950 -0.417 0.000 2.502 148 F HA 0.169 4.696 4.527 -0.000 0.000 0.371 148 F C 1.699 177.436 175.800 -0.105 0.000 1.083 148 F CA 0.402 58.208 58.000 -0.324 0.000 1.174 148 F CB 0.411 39.081 39.000 -0.550 0.000 1.096 148 F HN 0.411 nan 8.300 nan 0.000 0.545 149 S N 2.581 118.359 115.700 0.129 0.000 2.444 149 S HA -0.243 4.226 4.470 -0.000 0.000 0.244 149 S C 1.564 176.168 174.600 0.006 0.000 1.025 149 S CA 1.169 59.414 58.200 0.075 0.000 0.995 149 S CB -0.218 63.007 63.200 0.042 0.000 0.781 149 S HN 0.599 nan 8.310 nan 0.000 0.496 150 R N 0.314 120.772 120.500 -0.071 0.000 2.472 150 R HA 0.502 4.842 4.340 -0.000 0.000 0.279 150 R C -0.329 175.954 176.300 -0.029 0.000 0.953 150 R CA -0.035 55.918 56.100 -0.245 0.000 1.088 150 R CB -0.148 29.750 30.300 -0.670 0.000 1.197 150 R HN 0.427 nan 8.270 nan 0.000 0.536 151 L N 1.049 122.328 121.223 0.093 0.000 2.346 151 L HA 0.414 4.754 4.340 -0.000 0.000 0.274 151 L C -0.222 176.824 176.870 0.293 0.000 1.007 151 L CA -0.932 54.016 54.840 0.179 0.000 0.818 151 L CB 2.012 44.163 42.059 0.154 0.000 1.284 151 L HN -0.159 nan 8.230 nan 0.000 0.424 152 N N 2.183 121.002 118.700 0.198 0.000 2.626 152 N HA 0.116 4.855 4.740 -0.000 0.000 0.242 152 N C -1.116 174.458 175.510 0.107 0.000 1.005 152 N CA -0.496 52.635 53.050 0.135 0.000 0.905 152 N CB 0.647 39.125 38.487 -0.015 0.000 1.128 152 N HN 0.391 nan 8.380 nan 0.000 0.512 153 W N 5.984 127.263 121.300 -0.035 0.000 2.381 153 W HA 0.229 4.889 4.660 -0.000 0.000 0.321 153 W C -0.926 175.510 176.519 -0.138 0.000 1.407 153 W CA -0.660 56.590 57.345 -0.158 0.000 1.274 153 W CB 0.006 29.175 29.460 -0.485 0.000 1.310 153 W HN 0.357 nan 8.180 nan 0.000 0.551 154 L N 7.688 129.115 121.223 0.340 0.000 2.296 154 L HA 0.450 4.790 4.340 -0.000 0.000 0.286 154 L C 0.657 177.712 176.870 0.308 0.000 1.023 154 L CA -0.638 54.284 54.840 0.138 0.000 0.812 154 L CB 1.284 43.356 42.059 0.022 0.000 1.223 154 L HN 0.314 nan 8.230 nan 0.000 0.421 155 T N -0.893 113.720 114.554 0.100 0.000 2.942 155 T HA 0.358 4.708 4.350 -0.000 0.000 0.289 155 T C -0.272 174.567 174.700 0.232 0.000 1.044 155 T CA -1.092 61.074 62.100 0.111 0.000 1.023 155 T CB 2.100 70.782 68.868 -0.310 0.000 1.123 155 T HN 0.471 nan 8.240 nan 0.000 0.512 156 K N 1.053 121.638 120.400 0.309 0.000 2.436 156 K HA 0.125 4.445 4.320 -0.000 0.000 0.275 156 K C -0.377 176.244 176.600 0.035 0.000 0.999 156 K CA 0.026 56.477 56.287 0.274 0.000 0.980 156 K CB 0.752 33.400 32.500 0.248 0.000 0.919 156 K HN 0.557 nan 8.250 nan 0.000 0.484 157 S N 2.148 117.840 115.700 -0.013 0.000 2.480 157 S HA 0.506 4.976 4.470 -0.000 0.000 0.286 157 S C 0.729 175.318 174.600 -0.018 0.000 1.180 157 S CA 0.564 58.744 58.200 -0.033 0.000 1.075 157 S CB 0.342 63.511 63.200 -0.051 0.000 0.996 157 S HN 0.958 nan 8.310 nan 0.000 0.487 158 G N 3.939 112.726 108.800 -0.022 0.000 3.581 158 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.336 158 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.336 158 G C 0.592 175.485 174.900 -0.012 0.000 1.259 158 G CA 1.102 46.191 45.100 -0.017 0.000 1.001 158 G HN 1.789 nan 8.290 nan 0.000 0.662 159 S N -0.766 114.934 115.700 0.000 0.000 3.067 159 S HA 0.548 5.018 4.470 -0.000 0.000 0.253 159 S C -0.089 174.527 174.600 0.027 0.000 0.942 159 S CA 0.928 59.132 58.200 0.007 0.000 1.197 159 S CB 0.617 63.818 63.200 0.002 0.000 1.143 159 S HN 1.837 nan 8.310 nan 0.000 0.638 160 T N -0.021 114.557 114.554 0.041 0.000 2.982 160 T HA 0.547 4.897 4.350 -0.000 0.000 0.321 160 T C -1.797 172.972 174.700 0.114 0.000 1.229 160 T CA -0.515 61.628 62.100 0.072 0.000 1.044 160 T CB 1.428 70.323 68.868 0.044 0.000 1.184 160 T HN 0.172 nan 8.240 nan 0.000 0.477 161 Y N 4.195 124.512 120.300 0.029 0.000 2.356 161 Y HA 0.473 5.023 4.550 -0.000 0.000 0.334 161 Y C -2.399 173.526 175.900 0.041 0.000 0.958 161 Y CA -2.049 56.079 58.100 0.047 0.000 1.196 161 Y CB 1.551 40.059 38.460 0.079 0.000 1.137 161 Y HN 0.440 nan 8.280 nan 0.000 0.485 162 P HA 0.068 nan 4.420 nan 0.000 0.277 162 P C -0.661 176.687 177.300 0.080 0.000 1.240 162 P CA -0.223 62.892 63.100 0.026 0.000 0.798 162 P CB 1.873 33.550 31.700 -0.037 0.000 0.979 163 V N 4.313 124.278 119.914 0.085 0.000 2.390 163 V HA -0.039 4.081 4.120 -0.000 0.000 0.260 163 V C 0.992 177.125 176.094 0.066 0.000 1.043 163 V CA 0.285 62.639 62.300 0.092 0.000 1.047 163 V CB -1.010 30.848 31.823 0.057 0.000 1.066 163 V HN 0.364 nan 8.190 nan 0.000 0.481 164 L N 4.885 126.168 121.223 0.099 0.000 2.461 164 L HA 0.235 4.574 4.340 -0.000 0.000 0.272 164 L C 0.620 177.535 176.870 0.075 0.000 1.197 164 L CA 0.282 55.186 54.840 0.106 0.000 0.836 164 L CB 0.217 42.406 42.059 0.217 0.000 1.105 164 L HN 0.692 nan 8.230 nan 0.000 0.477 165 N N 1.646 120.369 118.700 0.038 0.000 2.785 165 N HA 0.243 4.982 4.740 -0.000 0.000 0.224 165 N C -0.945 174.542 175.510 -0.039 0.000 1.448 165 N CA -0.415 52.636 53.050 0.002 0.000 0.748 165 N CB 0.684 39.166 38.487 -0.009 0.000 1.385 165 N HN 0.312 nan 8.380 nan 0.000 0.538 166 V N -1.289 118.594 119.914 -0.051 0.000 3.134 166 V HA 0.817 4.937 4.120 -0.000 0.000 0.313 166 V C 0.449 176.494 176.094 -0.082 0.000 1.069 166 V CA -0.323 61.903 62.300 -0.124 0.000 1.048 166 V CB 1.479 33.149 31.823 -0.255 0.000 1.119 166 V HN 0.323 nan 8.190 nan 0.000 0.461 167 T N 2.077 116.561 114.554 -0.118 0.000 2.900 167 T HA 0.702 5.052 4.350 -0.000 0.000 0.303 167 T C -1.243 173.357 174.700 -0.167 0.000 1.142 167 T CA -0.520 61.517 62.100 -0.105 0.000 1.007 167 T CB 1.497 70.309 68.868 -0.092 0.000 1.156 167 T HN 0.998 nan 8.240 nan 0.000 0.490 168 M N 5.496 125.007 119.600 -0.148 0.000 2.213 168 M HA 0.420 4.900 4.480 -0.000 0.000 0.243 168 M C -2.784 173.461 176.300 -0.091 0.000 0.979 168 M CA -1.812 53.370 55.300 -0.198 0.000 1.037 168 M CB 2.031 34.444 32.600 -0.312 0.000 2.200 168 M HN 0.249 nan 8.290 nan 0.000 0.465 169 P HA 0.198 nan 4.420 nan 0.000 0.281 169 P C -0.827 176.441 177.300 -0.054 0.000 1.252 169 P CA -0.157 62.908 63.100 -0.057 0.000 0.778 169 P CB 0.625 32.283 31.700 -0.070 0.000 0.895 170 N N 3.292 121.966 118.700 -0.043 0.000 2.508 170 N HA 0.052 4.792 4.740 -0.000 0.000 0.253 170 N C 0.117 175.548 175.510 -0.131 0.000 1.145 170 N CA 0.103 53.099 53.050 -0.090 0.000 0.973 170 N CB -0.998 37.457 38.487 -0.054 0.000 1.305 170 N HN 0.297 nan 8.380 nan 0.000 0.506 171 N N 1.304 119.909 118.700 -0.159 0.000 2.268 171 N HA 0.080 4.820 4.740 -0.000 0.000 0.204 171 N C -0.760 174.612 175.510 -0.229 0.000 1.124 171 N CA -0.240 52.716 53.050 -0.156 0.000 0.838 171 N CB 0.611 39.029 38.487 -0.115 0.000 0.994 171 N HN 0.484 nan 8.380 nan 0.000 0.489 172 D N 0.587 120.758 120.400 -0.381 0.000 2.385 172 D HA 0.077 4.717 4.640 -0.000 0.000 0.254 172 D C 0.142 176.111 176.300 -0.553 0.000 1.053 172 D CA -0.317 53.310 54.000 -0.622 0.000 0.992 172 D CB 0.870 40.898 40.800 -1.286 0.000 1.145 172 D HN 0.207 nan 8.370 nan 0.000 0.523 173 N N -0.010 118.390 118.700 -0.500 0.000 2.575 173 N HA 0.129 4.868 4.740 -0.000 0.000 0.275 173 N C -0.962 174.510 175.510 -0.064 0.000 1.202 173 N CA -0.390 52.531 53.050 -0.216 0.000 0.945 173 N CB -0.516 37.916 38.487 -0.091 0.000 1.247 173 N HN 0.213 nan 8.380 nan 0.000 0.510 174 F N -3.201 116.728 119.950 -0.036 0.000 2.668 174 F HA 0.597 5.124 4.527 -0.000 0.000 0.309 174 F C -0.761 175.009 175.800 -0.051 0.000 1.117 174 F CA -2.086 55.896 58.000 -0.031 0.000 0.951 174 F CB 0.312 39.301 39.000 -0.017 0.000 1.323 174 F HN -0.301 nan 8.300 nan 0.000 0.451 175 D N 1.347 121.930 120.400 0.305 0.000 2.382 175 D HA 0.343 4.983 4.640 -0.000 0.000 0.240 175 D C -0.720 175.687 176.300 0.179 0.000 1.146 175 D CA 0.186 54.295 54.000 0.183 0.000 0.897 175 D CB 0.737 41.602 40.800 0.109 0.000 1.197 175 D HN 0.486 nan 8.370 nan 0.000 0.432 176 K N 0.967 121.423 120.400 0.093 0.000 2.397 176 K HA 0.438 4.758 4.320 -0.000 0.000 0.253 176 K C -1.198 175.423 176.600 0.035 0.000 0.932 176 K CA -1.078 55.190 56.287 -0.033 0.000 0.795 176 K CB 2.230 34.550 32.500 -0.301 0.000 1.159 176 K HN 0.184 nan 8.250 nan 0.000 0.424 177 L N 3.623 124.894 121.223 0.080 0.000 2.272 177 L HA 0.367 4.707 4.340 -0.000 0.000 0.289 177 L C -1.607 175.403 176.870 0.233 0.000 1.032 177 L CA -0.220 54.737 54.840 0.195 0.000 0.810 177 L CB 0.245 42.417 42.059 0.187 0.000 1.205 177 L HN 0.438 nan 8.230 nan 0.000 0.422 178 Y N 5.939 126.519 120.300 0.467 0.000 2.334 178 Y HA 0.479 5.028 4.550 -0.000 0.000 0.336 178 Y C -0.112 176.092 175.900 0.506 0.000 0.960 178 Y CA -0.746 57.672 58.100 0.530 0.000 1.164 178 Y CB 1.297 40.075 38.460 0.529 0.000 1.155 178 Y HN 0.346 nan 8.280 nan 0.000 0.478 179 I N 5.441 126.400 120.570 0.647 0.000 2.312 179 I HA 0.208 4.378 4.170 -0.000 0.000 0.290 179 I C -0.390 175.981 176.117 0.423 0.000 1.008 179 I CA -0.818 60.723 61.300 0.401 0.000 1.226 179 I CB -0.118 38.086 38.000 0.340 0.000 1.371 179 I HN 0.712 nan 8.210 nan 0.000 0.468 180 W N 5.351 126.788 121.300 0.228 0.000 3.060 180 W HA 0.852 5.512 4.660 -0.000 0.000 0.346 180 W C -0.655 175.945 176.519 0.134 0.000 1.194 180 W CA -1.169 56.259 57.345 0.138 0.000 1.105 180 W CB 1.284 30.809 29.460 0.108 0.000 1.487 180 W HN 0.545 nan 8.180 nan 0.000 0.592 181 G N 0.030 109.165 108.800 0.557 0.000 2.827 181 G HA2 0.703 4.663 3.960 -0.000 0.000 0.296 181 G HA3 0.703 4.663 3.960 -0.000 0.000 0.296 181 G C -2.308 172.811 174.900 0.364 0.000 1.362 181 G CA -1.005 44.341 45.100 0.409 0.000 0.809 181 G HN 0.648 nan 8.290 nan 0.000 0.522 182 I N -0.431 120.269 120.570 0.216 0.000 2.722 182 I HA 0.427 4.597 4.170 -0.000 0.000 0.295 182 I C -1.127 174.928 176.117 -0.104 0.000 1.161 182 I CA -0.970 60.338 61.300 0.013 0.000 1.032 182 I CB 2.419 40.396 38.000 -0.038 0.000 1.244 182 I HN 0.618 nan 8.210 nan 0.000 0.421 183 H N 6.062 124.951 119.070 -0.301 0.000 2.483 183 H HA 0.471 5.027 4.556 -0.000 0.000 0.338 183 H C -1.285 173.853 175.328 -0.317 0.000 1.152 183 H CA -0.016 55.899 56.048 -0.222 0.000 1.264 183 H CB 1.106 30.801 29.762 -0.111 0.000 1.510 183 H HN 0.518 nan 8.280 nan 0.000 0.530 184 H N 4.330 123.524 119.070 0.207 0.000 2.854 184 H HA 0.226 4.782 4.556 -0.000 0.000 0.275 184 H C -2.501 173.066 175.328 0.398 0.000 1.198 184 H CA -1.629 54.585 56.048 0.277 0.000 1.489 184 H CB 1.356 31.194 29.762 0.125 0.000 1.519 184 H HN 0.392 nan 8.280 nan 0.000 0.503 185 P HA -0.034 nan 4.420 nan 0.000 0.271 185 P C 1.028 178.504 177.300 0.293 0.000 1.216 185 P CA 0.040 63.413 63.100 0.456 0.000 0.776 185 P CB 1.011 32.887 31.700 0.294 0.000 0.881 186 S N 0.254 116.096 115.700 0.237 0.000 2.496 186 S HA 0.033 4.503 4.470 -0.000 0.000 0.224 186 S C 0.715 175.394 174.600 0.132 0.000 0.996 186 S CA 0.536 58.837 58.200 0.168 0.000 0.927 186 S CB -0.813 62.474 63.200 0.144 0.000 0.774 186 S HN 0.613 nan 8.310 nan 0.000 0.524 187 T N -1.334 113.295 114.554 0.126 0.000 2.906 187 T HA 0.455 4.805 4.350 -0.000 0.000 0.295 187 T C 0.169 174.917 174.700 0.081 0.000 1.061 187 T CA -0.973 61.182 62.100 0.092 0.000 1.000 187 T CB 1.360 70.273 68.868 0.075 0.000 1.103 187 T HN -0.028 nan 8.240 nan 0.000 0.486 188 N N 0.355 119.092 118.700 0.063 0.000 2.459 188 N HA -0.123 4.617 4.740 -0.000 0.000 0.181 188 N C 1.745 177.273 175.510 0.030 0.000 1.046 188 N CA 0.512 53.592 53.050 0.050 0.000 0.904 188 N CB 0.060 38.572 38.487 0.043 0.000 0.964 188 N HN 0.715 nan 8.380 nan 0.000 0.444 189 Q N 1.862 121.678 119.800 0.027 0.000 1.967 189 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 189 Q C 1.808 177.800 176.000 -0.013 0.000 0.985 189 Q CA 1.440 57.248 55.803 0.008 0.000 0.839 189 Q CB -0.149 28.597 28.738 0.013 0.000 0.906 189 Q HN 0.326 nan 8.270 nan 0.000 0.423 190 E N -0.158 120.042 120.200 0.001 0.000 2.086 190 E HA -0.325 4.025 4.350 -0.000 0.000 0.200 190 E C 2.068 178.614 176.600 -0.090 0.000 1.012 190 E CA 1.831 58.214 56.400 -0.028 0.000 0.812 190 E CB -0.099 29.631 29.700 0.049 0.000 0.743 190 E HN 0.312 nan 8.360 nan 0.000 0.453 191 Q N 0.466 120.261 119.800 -0.009 0.000 1.956 191 Q HA -0.207 4.133 4.340 -0.000 0.000 0.208 191 Q C 2.230 178.200 176.000 -0.050 0.000 0.998 191 Q CA 3.529 59.345 55.803 0.023 0.000 0.855 191 Q CB -1.148 27.638 28.738 0.080 0.000 0.928 191 Q HN 0.447 nan 8.270 nan 0.000 0.418 192 T N -2.029 112.508 114.554 -0.029 0.000 2.833 192 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 192 T C 2.106 176.753 174.700 -0.089 0.000 1.054 192 T CA 1.439 63.517 62.100 -0.037 0.000 1.135 192 T CB -0.640 68.220 68.868 -0.013 0.000 0.869 192 T HN 0.237 nan 8.240 nan 0.000 0.466 193 S N 2.020 117.650 115.700 -0.116 0.000 2.351 193 S HA 0.007 4.477 4.470 -0.000 0.000 0.220 193 S C 1.994 176.447 174.600 -0.246 0.000 1.035 193 S CA 1.557 59.669 58.200 -0.146 0.000 1.031 193 S CB -0.584 62.536 63.200 -0.133 0.000 0.928 193 S HN 0.452 nan 8.310 nan 0.000 0.433 194 L N -0.854 120.105 121.223 -0.440 0.000 2.023 194 L HA 0.015 4.355 4.340 -0.000 0.000 0.205 194 L C -0.101 176.324 176.870 -0.743 0.000 1.073 194 L CA 0.848 55.221 54.840 -0.779 0.000 0.745 194 L CB -0.291 40.932 42.059 -1.393 0.000 0.900 194 L HN 0.306 nan 8.230 nan 0.000 0.435 195 Y N -1.612 118.595 120.300 -0.153 0.000 2.447 195 Y HA 0.285 4.835 4.550 -0.000 0.000 0.325 195 Y C 0.875 176.699 175.900 -0.126 0.000 0.976 195 Y CA -1.110 56.838 58.100 -0.253 0.000 1.280 195 Y CB 0.503 38.693 38.460 -0.450 0.000 1.104 195 Y HN -0.297 nan 8.280 nan 0.000 0.486 196 V N 1.942 121.885 119.914 0.048 0.000 2.636 196 V HA -0.335 3.785 4.120 -0.000 0.000 0.258 196 V C 1.621 177.739 176.094 0.041 0.000 1.092 196 V CA 2.117 64.442 62.300 0.042 0.000 1.110 196 V CB -0.433 31.434 31.823 0.074 0.000 0.685 196 V HN 0.826 nan 8.190 nan 0.000 0.481 197 Q N -1.031 118.796 119.800 0.045 0.000 2.472 197 Q HA 0.187 4.527 4.340 -0.000 0.000 0.208 197 Q C 1.943 177.957 176.000 0.023 0.000 0.958 197 Q CA 0.724 56.547 55.803 0.032 0.000 0.932 197 Q CB -0.124 28.632 28.738 0.030 0.000 1.007 197 Q HN 0.655 nan 8.270 nan 0.000 0.508 198 A N -0.007 122.830 122.820 0.028 0.000 3.925 198 A HA -0.332 3.988 4.320 -0.000 0.000 0.247 198 A C 1.208 178.810 177.584 0.029 0.000 0.630 198 A CA 1.815 53.871 52.037 0.031 0.000 1.174 198 A CB -1.830 17.186 19.000 0.025 0.000 1.222 198 A HN 0.446 nan 8.150 nan 0.000 0.676 199 S N -1.302 114.406 115.700 0.014 0.000 2.623 199 S HA 0.708 5.178 4.470 -0.000 0.000 0.287 199 S C 0.324 174.908 174.600 -0.027 0.000 1.123 199 S CA 0.825 59.027 58.200 0.003 0.000 1.016 199 S CB 1.560 64.761 63.200 0.001 0.000 1.233 199 S HN 2.508 nan 8.310 nan 0.000 0.512 200 G N 0.497 109.265 108.800 -0.052 0.000 2.351 200 G HA2 0.458 4.418 3.960 -0.000 0.000 0.296 200 G HA3 0.458 4.418 3.960 -0.000 0.000 0.296 200 G C -1.530 173.307 174.900 -0.105 0.000 1.685 200 G CA -0.640 44.391 45.100 -0.116 0.000 0.936 200 G HN 0.892 nan 8.290 nan 0.000 0.714 201 R N -0.118 120.311 120.500 -0.119 0.000 2.629 201 R HA 0.778 5.118 4.340 -0.000 0.000 0.266 201 R C -1.918 174.301 176.300 -0.135 0.000 1.051 201 R CA -0.940 55.096 56.100 -0.106 0.000 0.895 201 R CB 1.862 32.120 30.300 -0.068 0.000 1.246 201 R HN 0.636 nan 8.270 nan 0.000 0.459 202 V N 1.498 121.315 119.914 -0.161 0.000 2.604 202 V HA 0.565 4.684 4.120 -0.000 0.000 0.305 202 V C -0.572 175.381 176.094 -0.236 0.000 1.043 202 V CA -0.608 61.556 62.300 -0.226 0.000 0.888 202 V CB 2.155 33.805 31.823 -0.288 0.000 0.995 202 V HN 0.910 nan 8.190 nan 0.000 0.429 203 T N 3.666 118.071 114.554 -0.249 0.000 3.038 203 T HA 0.402 4.752 4.350 -0.000 0.000 0.344 203 T C -0.546 174.002 174.700 -0.254 0.000 1.054 203 T CA -0.294 61.684 62.100 -0.204 0.000 1.092 203 T CB 1.121 69.920 68.868 -0.114 0.000 1.031 203 T HN 0.320 nan 8.240 nan 0.000 0.482 204 V N 3.821 123.533 119.914 -0.337 0.000 2.427 204 V HA 0.847 4.966 4.120 -0.000 0.000 0.286 204 V C 0.216 176.258 176.094 -0.086 0.000 1.034 204 V CA -0.436 61.672 62.300 -0.320 0.000 0.893 204 V CB 1.278 32.720 31.823 -0.635 0.000 0.982 204 V HN 1.034 nan 8.190 nan 0.000 0.452 205 S N 2.647 118.314 115.700 -0.055 0.000 2.615 205 S HA 0.867 5.337 4.470 -0.000 0.000 0.269 205 S C -0.540 174.067 174.600 0.013 0.000 1.161 205 S CA -0.297 57.904 58.200 0.002 0.000 0.817 205 S CB 2.302 65.496 63.200 -0.009 0.000 1.131 205 S HN 0.950 nan 8.310 nan 0.000 0.467 206 T N -1.699 112.875 114.554 0.032 0.000 2.716 206 T HA 0.568 4.918 4.350 -0.000 0.000 0.286 206 T C 0.530 175.245 174.700 0.025 0.000 1.052 206 T CA -1.114 61.007 62.100 0.035 0.000 1.024 206 T CB 1.210 70.118 68.868 0.067 0.000 1.349 206 T HN 0.587 nan 8.240 nan 0.000 0.525 207 R N -0.267 120.247 120.500 0.022 0.000 2.189 207 R HA 0.103 4.443 4.340 -0.000 0.000 0.223 207 R C 2.356 178.669 176.300 0.022 0.000 1.092 207 R CA 0.974 57.083 56.100 0.016 0.000 0.989 207 R CB -0.096 30.211 30.300 0.011 0.000 0.876 207 R HN 0.535 nan 8.270 nan 0.000 0.457 208 R N -0.130 120.390 120.500 0.033 0.000 2.123 208 R HA 0.070 4.410 4.340 -0.000 0.000 0.209 208 R C 0.835 177.158 176.300 0.039 0.000 1.078 208 R CA 0.737 56.859 56.100 0.036 0.000 1.028 208 R CB 0.406 30.733 30.300 0.045 0.000 0.939 208 R HN 0.083 nan 8.270 nan 0.000 0.463 209 S N -0.216 115.513 115.700 0.049 0.000 2.704 209 S HA 0.415 4.885 4.470 -0.000 0.000 0.305 209 S C -0.755 173.870 174.600 0.041 0.000 1.107 209 S CA -0.818 57.412 58.200 0.050 0.000 0.993 209 S CB 2.286 65.528 63.200 0.071 0.000 1.110 209 S HN 0.120 nan 8.310 nan 0.000 0.534 210 Q N 0.282 120.105 119.800 0.038 0.000 2.327 210 Q HA 0.343 4.683 4.340 -0.000 0.000 0.265 210 Q C -2.217 173.802 176.000 0.032 0.000 0.993 210 Q CA -0.325 55.493 55.803 0.025 0.000 0.885 210 Q CB 1.753 30.498 28.738 0.011 0.000 1.379 210 Q HN 0.857 nan 8.270 nan 0.000 0.408 211 Q N 2.003 121.822 119.800 0.032 0.000 2.285 211 Q HA 0.499 4.838 4.340 -0.000 0.000 0.269 211 Q C -1.536 174.458 176.000 -0.010 0.000 1.030 211 Q CA -0.597 55.237 55.803 0.052 0.000 0.788 211 Q CB 2.881 31.731 28.738 0.186 0.000 1.266 211 Q HN 0.586 nan 8.270 nan 0.000 0.438 212 T N 3.247 117.787 114.554 -0.023 0.000 2.840 212 T HA 0.512 4.862 4.350 -0.000 0.000 0.287 212 T C -0.561 174.098 174.700 -0.069 0.000 0.991 212 T CA -0.525 61.537 62.100 -0.063 0.000 0.964 212 T CB 0.596 69.435 68.868 -0.047 0.000 0.954 212 T HN 0.323 nan 8.240 nan 0.000 0.438 213 I N 3.881 124.381 120.570 -0.117 0.000 2.404 213 I HA 0.492 4.662 4.170 -0.000 0.000 0.293 213 I C -0.448 175.617 176.117 -0.087 0.000 0.992 213 I CA -1.112 60.108 61.300 -0.134 0.000 1.149 213 I CB 1.437 39.252 38.000 -0.309 0.000 1.315 213 I HN 0.514 nan 8.210 nan 0.000 0.446 214 I N 8.396 128.950 120.570 -0.026 0.000 2.339 214 I HA 0.370 4.539 4.170 -0.000 0.000 0.290 214 I C -1.885 174.255 176.117 0.039 0.000 0.994 214 I CA -1.908 59.386 61.300 -0.010 0.000 1.191 214 I CB 1.471 39.479 38.000 0.013 0.000 1.343 214 I HN 0.361 nan 8.210 nan 0.000 0.458 215 P HA 0.109 nan 4.420 nan 0.000 0.270 215 P C -1.158 176.263 177.300 0.202 0.000 1.223 215 P CA -0.310 62.771 63.100 -0.032 0.000 0.785 215 P CB 0.713 32.316 31.700 -0.162 0.000 0.923 216 N N 1.491 120.502 118.700 0.518 0.000 2.448 216 N HA 0.321 5.061 4.740 -0.000 0.000 0.279 216 N C -0.355 175.334 175.510 0.299 0.000 1.025 216 N CA -0.452 52.793 53.050 0.325 0.000 0.898 216 N CB 1.102 39.710 38.487 0.202 0.000 1.303 216 N HN 0.261 nan 8.380 nan 0.000 0.495 217 I N 1.316 122.001 120.570 0.192 0.000 2.519 217 I HA 0.540 4.710 4.170 -0.000 0.000 0.287 217 I C 1.172 177.368 176.117 0.132 0.000 1.047 217 I CA 0.467 61.870 61.300 0.171 0.000 1.381 217 I CB 1.026 39.105 38.000 0.131 0.000 1.417 217 I HN 0.626 nan 8.210 nan 0.000 0.540 218 G N 2.781 111.659 108.800 0.130 0.000 2.340 218 G HA2 0.272 4.231 3.960 -0.000 0.000 0.300 218 G HA3 0.272 4.231 3.960 -0.000 0.000 0.300 218 G C -1.542 173.416 174.900 0.096 0.000 1.488 218 G CA -0.896 44.262 45.100 0.097 0.000 0.878 218 G HN 0.432 nan 8.290 nan 0.000 0.618 219 S N 0.340 116.089 115.700 0.081 0.000 2.465 219 S HA 0.705 5.175 4.470 -0.000 0.000 0.279 219 S C 0.387 175.031 174.600 0.074 0.000 1.201 219 S CA -0.386 57.866 58.200 0.087 0.000 1.053 219 S CB 1.243 64.493 63.200 0.084 0.000 0.953 219 S HN 0.600 nan 8.310 nan 0.000 0.488 220 R N 2.165 122.716 120.500 0.084 0.000 2.923 220 R HA 0.647 4.986 4.340 -0.000 0.000 0.252 220 R C -2.736 173.624 176.300 0.101 0.000 1.130 220 R CA -2.027 54.114 56.100 0.068 0.000 1.043 220 R CB -0.106 30.224 30.300 0.049 0.000 1.205 220 R HN 0.319 nan 8.270 nan 0.000 0.495 221 P HA 0.050 nan 4.420 nan 0.000 0.272 221 P C -0.852 176.570 177.300 0.203 0.000 1.223 221 P CA -0.302 62.874 63.100 0.125 0.000 0.784 221 P CB 0.362 32.106 31.700 0.074 0.000 0.923 222 W N 1.991 123.283 121.300 -0.013 0.000 2.251 222 W HA 0.289 4.949 4.660 -0.000 0.000 0.327 222 W C -0.599 175.904 176.519 -0.026 0.000 1.361 222 W CA 0.764 58.099 57.345 -0.017 0.000 1.234 222 W CB 0.177 29.627 29.460 -0.016 0.000 1.212 222 W HN -0.029 nan 8.180 nan 0.000 0.557 223 V N 6.107 126.053 119.914 0.054 0.000 2.532 223 V HA 0.273 4.393 4.120 -0.000 0.000 0.294 223 V C 0.019 176.051 176.094 -0.104 0.000 1.036 223 V CA -1.614 60.687 62.300 0.002 0.000 0.876 223 V CB 1.413 33.227 31.823 -0.015 0.000 1.012 223 V HN 0.547 nan 8.190 nan 0.000 0.432 224 R N 3.593 124.053 120.500 -0.067 0.000 3.205 224 R HA -0.231 4.109 4.340 -0.000 0.000 0.249 224 R C 1.358 177.483 176.300 -0.291 0.000 0.937 224 R CA 1.086 57.111 56.100 -0.124 0.000 0.641 224 R CB -1.266 28.969 30.300 -0.109 0.000 1.114 224 R HN 1.693 nan 8.270 nan 0.000 0.451 225 G N -0.583 107.956 108.800 -0.434 0.000 4.655 225 G HA2 -0.383 3.576 3.960 -0.000 0.000 0.220 225 G HA3 -0.383 3.576 3.960 -0.000 0.000 0.220 225 G C 0.455 174.552 174.900 -1.340 0.000 1.403 225 G CA 0.169 44.633 45.100 -1.059 0.000 0.931 225 G HN 0.282 nan 8.290 nan 0.000 0.654 226 L N 0.784 121.572 121.223 -0.724 0.000 2.489 226 L HA 0.378 4.718 4.340 -0.000 0.000 0.285 226 L C 1.576 178.213 176.870 -0.388 0.000 1.259 226 L CA 1.333 55.850 54.840 -0.538 0.000 0.828 226 L CB 0.686 42.463 42.059 -0.470 0.000 1.094 226 L HN 0.487 nan 8.230 nan 0.000 0.524 227 S N -1.309 114.284 115.700 -0.179 0.000 2.893 227 S HA 0.105 4.575 4.470 -0.000 0.000 0.258 227 S C 0.197 174.831 174.600 0.057 0.000 1.034 227 S CA -0.031 58.166 58.200 -0.005 0.000 1.167 227 S CB 0.228 63.481 63.200 0.089 0.000 1.137 227 S HN 0.811 nan 8.310 nan 0.000 0.650 228 S N 0.960 116.697 115.700 0.062 0.000 2.718 228 S HA 0.863 5.333 4.470 -0.000 0.000 0.300 228 S C -0.428 174.262 174.600 0.150 0.000 1.117 228 S CA -0.798 57.499 58.200 0.163 0.000 1.002 228 S CB 1.438 64.823 63.200 0.310 0.000 1.092 228 S HN 0.288 nan 8.310 nan 0.000 0.542 229 R N -0.478 120.124 120.500 0.171 0.000 2.846 229 R HA 0.625 4.965 4.340 -0.000 0.000 0.263 229 R C -1.272 175.118 176.300 0.150 0.000 1.080 229 R CA -0.717 55.503 56.100 0.200 0.000 0.961 229 R CB 0.918 31.284 30.300 0.110 0.000 1.231 229 R HN 0.755 nan 8.270 nan 0.000 0.465 230 I N 0.246 120.930 120.570 0.190 0.000 2.619 230 I HA 0.258 4.428 4.170 -0.000 0.000 0.292 230 I C -0.474 175.787 176.117 0.240 0.000 1.100 230 I CA -0.542 60.831 61.300 0.122 0.000 1.043 230 I CB 2.558 40.536 38.000 -0.036 0.000 1.239 230 I HN 0.299 nan 8.210 nan 0.000 0.420 231 S N 6.051 121.934 115.700 0.305 0.000 2.437 231 S HA 0.564 5.033 4.470 -0.000 0.000 0.305 231 S C -0.255 174.464 174.600 0.197 0.000 1.109 231 S CA -0.548 57.813 58.200 0.269 0.000 1.099 231 S CB 0.894 64.403 63.200 0.515 0.000 1.004 231 S HN 0.235 nan 8.310 nan 0.000 0.475 232 I N 3.641 124.186 120.570 -0.042 0.000 2.428 232 I HA 0.447 4.617 4.170 -0.000 0.000 0.296 232 I C -0.541 175.296 176.117 -0.466 0.000 0.985 232 I CA -0.340 60.887 61.300 -0.121 0.000 1.260 232 I CB 0.580 38.502 38.000 -0.130 0.000 1.389 232 I HN 0.585 nan 8.210 nan 0.000 0.484 233 Y N 3.662 123.653 120.300 -0.516 0.000 2.705 233 Y HA 0.611 5.161 4.550 -0.000 0.000 0.332 233 Y C -0.431 174.982 175.900 -0.813 0.000 1.157 233 Y CA -0.843 56.731 58.100 -0.877 0.000 1.091 233 Y CB 1.646 39.135 38.460 -1.618 0.000 1.301 233 Y HN 0.670 nan 8.280 nan 0.000 0.488 234 W N -1.515 119.439 121.300 -0.576 0.000 3.074 234 W HA 0.822 5.482 4.660 -0.000 0.000 0.332 234 W C -2.183 174.352 176.519 0.028 0.000 1.253 234 W CA -1.116 56.060 57.345 -0.281 0.000 1.180 234 W CB 1.327 30.706 29.460 -0.136 0.000 1.445 234 W HN 0.393 nan 8.180 nan 0.000 0.573 235 T N 2.851 117.683 114.554 0.464 0.000 3.032 235 T HA 0.474 4.824 4.350 -0.000 0.000 0.312 235 T C -1.086 173.927 174.700 0.522 0.000 1.078 235 T CA -0.567 61.808 62.100 0.459 0.000 1.028 235 T CB 1.106 70.304 68.868 0.550 0.000 1.091 235 T HN 0.455 nan 8.240 nan 0.000 0.457 236 I N 2.905 123.721 120.570 0.409 0.000 2.336 236 I HA 0.439 4.609 4.170 -0.000 0.000 0.292 236 I C -0.369 175.917 176.117 0.282 0.000 0.991 236 I CA -0.944 60.553 61.300 0.328 0.000 1.227 236 I CB 1.632 39.788 38.000 0.259 0.000 1.366 236 I HN 0.262 nan 8.210 nan 0.000 0.466 237 V N 7.515 127.598 119.914 0.282 0.000 2.328 237 V HA 0.244 4.364 4.120 -0.000 0.000 0.278 237 V C 0.333 176.510 176.094 0.139 0.000 1.021 237 V CA -0.823 61.614 62.300 0.229 0.000 0.838 237 V CB 1.175 33.193 31.823 0.324 0.000 0.999 237 V HN 0.643 nan 8.190 nan 0.000 0.447 238 K N 5.446 125.910 120.400 0.107 0.000 2.237 238 K HA 0.312 4.632 4.320 -0.000 0.000 0.270 238 K C -2.470 174.154 176.600 0.039 0.000 1.015 238 K CA -1.543 54.788 56.287 0.074 0.000 0.949 238 K CB 0.658 33.196 32.500 0.065 0.000 0.976 238 K HN 0.347 nan 8.250 nan 0.000 0.472 239 P HA -0.125 nan 4.420 nan 0.000 0.261 239 P C 0.495 177.777 177.300 -0.029 0.000 1.173 239 P CA 1.150 64.229 63.100 -0.036 0.000 0.760 239 P CB 0.382 32.056 31.700 -0.044 0.000 0.783 240 G N 1.389 110.160 108.800 -0.048 0.000 2.179 240 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.260 240 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.260 240 G C 0.262 175.150 174.900 -0.019 0.000 0.977 240 G CA 0.178 45.255 45.100 -0.037 0.000 0.641 240 G HN 0.596 nan 8.290 nan 0.000 0.533 241 D N -0.289 120.109 120.400 -0.003 0.000 2.437 241 D HA 0.664 5.304 4.640 -0.000 0.000 0.259 241 D C 0.494 176.800 176.300 0.011 0.000 1.118 241 D CA 0.356 54.363 54.000 0.012 0.000 1.017 241 D CB 1.810 42.632 40.800 0.037 0.000 1.120 241 D HN 0.927 nan 8.370 nan 0.000 0.541 242 V N 0.122 120.042 119.914 0.011 0.000 2.789 242 V HA 0.655 4.775 4.120 -0.000 0.000 0.311 242 V C -1.227 174.869 176.094 0.004 0.000 1.073 242 V CA -0.966 61.334 62.300 -0.001 0.000 0.921 242 V CB 1.634 33.442 31.823 -0.025 0.000 1.009 242 V HN 0.439 nan 8.190 nan 0.000 0.426 243 L N 4.871 126.085 121.223 -0.015 0.000 2.325 243 L HA 0.828 5.168 4.340 -0.000 0.000 0.279 243 L C -0.523 176.310 176.870 -0.062 0.000 1.054 243 L CA 0.060 54.870 54.840 -0.050 0.000 0.804 243 L CB 1.768 43.722 42.059 -0.174 0.000 1.200 243 L HN 0.679 nan 8.230 nan 0.000 0.436 244 V N 6.678 126.556 119.914 -0.060 0.000 2.501 244 V HA 0.350 4.469 4.120 -0.000 0.000 0.277 244 V C -0.075 175.976 176.094 -0.072 0.000 1.004 244 V CA -0.431 61.836 62.300 -0.055 0.000 0.862 244 V CB 1.188 32.983 31.823 -0.047 0.000 1.035 244 V HN 0.606 nan 8.190 nan 0.000 0.448 245 I N 4.450 124.992 120.570 -0.046 0.000 2.416 245 I HA 0.320 4.490 4.170 -0.000 0.000 0.288 245 I C 0.372 176.473 176.117 -0.028 0.000 1.051 245 I CA 0.268 61.525 61.300 -0.071 0.000 1.375 245 I CB 0.646 38.667 38.000 0.036 0.000 1.407 245 I HN 0.564 nan 8.210 nan 0.000 0.516 246 N N 5.476 124.131 118.700 -0.074 0.000 2.519 246 N HA 0.352 5.091 4.740 -0.000 0.000 0.286 246 N C -1.365 174.119 175.510 -0.044 0.000 1.079 246 N CA -0.130 52.899 53.050 -0.035 0.000 0.878 246 N CB 1.573 40.033 38.487 -0.045 0.000 1.375 246 N HN 0.767 nan 8.380 nan 0.000 0.514 247 S N 2.100 117.808 115.700 0.014 0.000 2.625 247 S HA 0.412 4.882 4.470 -0.000 0.000 0.271 247 S C -0.518 174.142 174.600 0.100 0.000 1.161 247 S CA -0.754 57.454 58.200 0.014 0.000 0.820 247 S CB 1.492 64.675 63.200 -0.029 0.000 1.137 247 S HN 0.590 nan 8.310 nan 0.000 0.470 248 N N -0.208 118.529 118.700 0.063 0.000 2.365 248 N HA 0.473 5.213 4.740 -0.000 0.000 0.257 248 N C 0.148 175.630 175.510 -0.047 0.000 1.287 248 N CA 0.197 53.321 53.050 0.123 0.000 0.882 248 N CB 0.693 39.215 38.487 0.057 0.000 1.250 248 N HN 1.538 nan 8.380 nan 0.000 0.507 249 G N 0.344 108.985 108.800 -0.265 0.000 2.379 249 G HA2 0.179 4.139 3.960 -0.000 0.000 0.609 249 G HA3 0.179 4.139 3.960 -0.000 0.000 0.609 249 G C -0.493 173.945 174.900 -0.770 0.000 1.484 249 G CA -0.335 44.226 45.100 -0.898 0.000 0.921 249 G HN 0.172 nan 8.290 nan 0.000 0.658 250 N N -2.732 115.147 118.700 -1.369 0.000 2.984 250 N HA -0.165 4.575 4.740 -0.000 0.000 0.227 250 N C 0.475 175.662 175.510 -0.538 0.000 0.903 250 N CA 1.134 53.452 53.050 -1.220 0.000 0.995 250 N CB -1.083 37.000 38.487 -0.673 0.000 1.065 250 N HN 1.484 nan 8.380 nan 0.000 0.585 251 L N 1.781 122.794 121.223 -0.350 0.000 2.485 251 L HA 0.232 4.572 4.340 -0.000 0.000 0.275 251 L C 0.156 176.977 176.870 -0.083 0.000 1.207 251 L CA 0.548 55.290 54.840 -0.164 0.000 0.855 251 L CB 0.243 42.234 42.059 -0.114 0.000 1.114 251 L HN 0.154 nan 8.230 nan 0.000 0.485 252 I N 6.375 126.920 120.570 -0.041 0.000 2.859 252 I HA 0.279 4.449 4.170 -0.000 0.000 0.296 252 I C 0.681 176.809 176.117 0.019 0.000 1.300 252 I CA -0.389 60.914 61.300 0.005 0.000 1.020 252 I CB -0.148 37.862 38.000 0.017 0.000 1.823 252 I HN 0.816 nan 8.210 nan 0.000 0.599 253 A N 6.633 129.353 122.820 -0.165 0.000 2.614 253 A HA 0.224 4.544 4.320 -0.000 0.000 0.231 253 A C -2.038 175.488 177.584 -0.096 0.000 1.076 253 A CA -0.022 51.838 52.037 -0.296 0.000 0.767 253 A CB -0.585 17.831 19.000 -0.974 0.000 1.012 253 A HN 0.358 nan 8.150 nan 0.000 0.512 254 P HA 0.368 nan 4.420 nan 0.000 0.282 254 P C -0.376 176.963 177.300 0.065 0.000 1.287 254 P CA -0.330 62.831 63.100 0.102 0.000 0.792 254 P CB 0.851 32.672 31.700 0.202 0.000 1.163 255 R N -1.110 119.608 120.500 0.362 0.000 2.549 255 R HA 0.471 4.811 4.340 -0.000 0.000 0.361 255 R C 0.731 177.326 176.300 0.492 0.000 0.969 255 R CA -0.035 56.345 56.100 0.467 0.000 1.158 255 R CB 0.966 31.553 30.300 0.477 0.000 1.456 255 R HN 0.782 nan 8.270 nan 0.000 0.540 256 G N 0.765 109.853 108.800 0.480 0.000 2.356 256 G HA2 0.020 3.980 3.960 -0.000 0.000 0.266 256 G HA3 0.020 3.980 3.960 -0.000 0.000 0.266 256 G C -1.940 172.929 174.900 -0.051 0.000 1.312 256 G CA -0.797 44.353 45.100 0.084 0.000 0.922 256 G HN 0.113 nan 8.290 nan 0.000 0.480 257 Y N -1.349 118.558 120.300 -0.656 0.000 2.602 257 Y HA 0.873 5.423 4.550 -0.000 0.000 0.342 257 Y C -1.004 174.591 175.900 -0.507 0.000 1.029 257 Y CA -2.247 55.518 58.100 -0.558 0.000 1.080 257 Y CB 1.266 39.312 38.460 -0.691 0.000 1.284 257 Y HN 0.455 nan 8.280 nan 0.000 0.485 258 F N 1.541 121.570 119.950 0.131 0.000 2.421 258 F HA 0.497 5.024 4.527 -0.000 0.000 0.337 258 F C 0.233 176.088 175.800 0.092 0.000 1.105 258 F CA -0.890 57.187 58.000 0.130 0.000 1.049 258 F CB 1.701 40.796 39.000 0.158 0.000 1.139 258 F HN 0.332 nan 8.300 nan 0.000 0.479 259 K N 3.566 124.063 120.400 0.163 0.000 2.270 259 K HA 0.385 4.705 4.320 -0.000 0.000 0.276 259 K C -0.457 176.107 176.600 -0.060 0.000 1.023 259 K CA -0.158 56.097 56.287 -0.052 0.000 0.955 259 K CB 0.767 33.123 32.500 -0.240 0.000 0.975 259 K HN 0.570 nan 8.250 nan 0.000 0.471 260 M N 3.180 122.709 119.600 -0.118 0.000 2.268 260 M HA 0.335 4.815 4.480 -0.000 0.000 0.344 260 M C -0.238 175.990 176.300 -0.120 0.000 1.106 260 M CA -0.373 54.873 55.300 -0.090 0.000 1.010 260 M CB 1.612 34.189 32.600 -0.038 0.000 1.649 260 M HN 0.371 nan 8.290 nan 0.000 0.443 261 R N 1.019 121.444 120.500 -0.126 0.000 2.686 261 R HA 0.551 4.890 4.340 -0.000 0.000 0.286 261 R C -0.555 175.683 176.300 -0.102 0.000 0.969 261 R CA -0.725 55.303 56.100 -0.119 0.000 0.898 261 R CB 2.203 32.411 30.300 -0.154 0.000 1.183 261 R HN 0.682 nan 8.270 nan 0.000 0.456 262 T N -0.790 113.722 114.554 -0.070 0.000 2.829 262 T HA 0.810 5.160 4.350 -0.000 0.000 0.282 262 T C 0.379 175.045 174.700 -0.056 0.000 0.990 262 T CA -0.587 61.480 62.100 -0.055 0.000 1.028 262 T CB 1.922 70.772 68.868 -0.029 0.000 0.951 262 T HN 0.792 nan 8.240 nan 0.000 0.460 263 G N 1.759 110.528 108.800 -0.053 0.000 2.348 263 G HA2 0.339 4.299 3.960 -0.000 0.000 0.296 263 G HA3 0.339 4.299 3.960 -0.000 0.000 0.296 263 G C -0.439 174.450 174.900 -0.018 0.000 1.258 263 G CA -0.497 44.578 45.100 -0.042 0.000 0.868 263 G HN 0.803 nan 8.290 nan 0.000 0.488 264 K N -0.084 120.318 120.400 0.004 0.000 2.589 264 K HA 0.310 4.630 4.320 -0.000 0.000 0.204 264 K C 0.244 176.938 176.600 0.156 0.000 1.029 264 K CA 0.293 56.617 56.287 0.061 0.000 1.177 264 K CB -0.108 32.421 32.500 0.049 0.000 0.902 264 K HN 0.236 nan 8.250 nan 0.000 0.501 265 S N 0.098 115.826 115.700 0.048 0.000 2.632 265 S HA 0.379 4.849 4.470 -0.000 0.000 0.271 265 S C -0.315 174.328 174.600 0.072 0.000 1.260 265 S CA -0.837 57.375 58.200 0.020 0.000 1.010 265 S CB 1.664 64.748 63.200 -0.194 0.000 0.965 265 S HN 0.334 nan 8.310 nan 0.000 0.534 266 S N -0.379 115.353 115.700 0.053 0.000 2.815 266 S HA 0.690 5.160 4.470 -0.000 0.000 0.296 266 S C -1.911 172.682 174.600 -0.011 0.000 1.224 266 S CA -0.716 57.488 58.200 0.007 0.000 0.938 266 S CB 0.679 63.845 63.200 -0.057 0.000 1.285 266 S HN 0.726 nan 8.310 nan 0.000 0.549 267 I N 1.523 122.035 120.570 -0.096 0.000 2.802 267 I HA 0.697 4.866 4.170 -0.000 0.000 0.298 267 I C -1.546 174.510 176.117 -0.102 0.000 1.176 267 I CA -0.651 60.581 61.300 -0.113 0.000 1.025 267 I CB 1.856 39.754 38.000 -0.170 0.000 1.243 267 I HN 0.796 nan 8.210 nan 0.000 0.424 268 M N 6.245 125.794 119.600 -0.084 0.000 2.386 268 M HA 0.543 5.023 4.480 -0.000 0.000 0.293 268 M C -1.569 174.702 176.300 -0.048 0.000 1.120 268 M CA -0.623 54.637 55.300 -0.066 0.000 0.909 268 M CB 2.310 34.867 32.600 -0.072 0.000 1.661 268 M HN 0.522 nan 8.290 nan 0.000 0.452 269 R N 2.437 122.915 120.500 -0.037 0.000 2.221 269 R HA 0.585 4.925 4.340 -0.000 0.000 0.327 269 R C -1.022 175.260 176.300 -0.030 0.000 1.033 269 R CA -0.300 55.783 56.100 -0.029 0.000 0.887 269 R CB 1.433 31.719 30.300 -0.022 0.000 1.057 269 R HN 0.634 nan 8.270 nan 0.000 0.455 270 S N 1.355 117.034 115.700 -0.035 0.000 2.560 270 S HA 0.112 4.581 4.470 -0.000 0.000 0.283 270 S C -1.033 173.548 174.600 -0.031 0.000 1.141 270 S CA -0.875 57.307 58.200 -0.029 0.000 0.902 270 S CB 1.207 64.388 63.200 -0.031 0.000 1.104 270 S HN 0.608 nan 8.310 nan 0.000 0.454 271 D N 2.510 122.899 120.400 -0.018 0.000 2.358 271 D HA 0.281 4.921 4.640 -0.000 0.000 0.224 271 D C 0.727 177.020 176.300 -0.012 0.000 1.123 271 D CA 0.121 54.113 54.000 -0.013 0.000 0.833 271 D CB 0.722 41.521 40.800 -0.001 0.000 0.946 271 D HN 0.640 nan 8.370 nan 0.000 0.505 272 A N 1.915 124.726 122.820 -0.015 0.000 2.388 272 A HA 0.416 4.736 4.320 -0.000 0.000 0.257 272 A C -2.179 175.397 177.584 -0.014 0.000 1.095 272 A CA -0.907 51.124 52.037 -0.010 0.000 0.791 272 A CB 0.174 19.171 19.000 -0.006 0.000 1.029 272 A HN -0.095 nan 8.150 nan 0.000 0.489 273 P HA 0.235 nan 4.420 nan 0.000 0.270 273 P C -0.752 176.542 177.300 -0.010 0.000 1.223 273 P CA 0.165 63.260 63.100 -0.008 0.000 0.785 273 P CB 0.442 32.141 31.700 -0.001 0.000 0.923 274 I N 1.957 122.519 120.570 -0.013 0.000 2.390 274 I HA 0.244 4.414 4.170 -0.000 0.000 0.283 274 I C 0.107 176.223 176.117 -0.003 0.000 1.016 274 I CA -0.500 60.794 61.300 -0.011 0.000 1.151 274 I CB 1.173 39.158 38.000 -0.024 0.000 1.293 274 I HN 0.247 nan 8.210 nan 0.000 0.458 275 D N 3.584 123.986 120.400 0.003 0.000 2.268 275 D HA 0.136 4.776 4.640 -0.000 0.000 0.249 275 D C 0.021 176.325 176.300 0.007 0.000 1.008 275 D CA -0.228 53.775 54.000 0.005 0.000 0.939 275 D CB 2.047 42.850 40.800 0.006 0.000 1.170 275 D HN 0.270 nan 8.370 nan 0.000 0.468 276 T N 1.627 116.185 114.554 0.006 0.000 3.781 276 T HA 0.374 4.724 4.350 -0.000 0.000 0.286 276 T C -0.028 174.675 174.700 0.005 0.000 1.277 276 T CA -0.356 61.748 62.100 0.006 0.000 1.136 276 T CB -1.637 67.233 68.868 0.005 0.000 1.202 276 T HN 0.406 nan 8.240 nan 0.000 0.884 277 c N 3.210 121.813 118.600 0.006 0.000 3.307 277 c HA 0.786 5.356 4.570 -0.000 0.000 0.350 277 c C -0.628 173.461 174.090 -0.001 0.000 1.549 277 c CA -1.454 54.877 56.329 0.003 0.000 1.396 277 c CB 0.858 43.372 42.510 0.006 0.000 1.970 277 c HN 0.556 nan 8.230 nan 0.000 0.441 278 I N 1.809 122.375 120.570 -0.006 0.000 2.436 278 I HA 0.624 4.794 4.170 -0.000 0.000 0.289 278 I C -0.287 175.820 176.117 -0.015 0.000 1.010 278 I CA 0.123 61.412 61.300 -0.019 0.000 1.098 278 I CB 1.572 39.557 38.000 -0.025 0.000 1.266 278 I HN 0.821 nan 8.210 nan 0.000 0.434 279 S N 3.764 119.450 115.700 -0.024 0.000 2.556 279 S HA 0.206 4.675 4.470 -0.000 0.000 0.280 279 S C -0.009 174.578 174.600 -0.023 0.000 1.141 279 S CA -0.682 57.514 58.200 -0.006 0.000 0.883 279 S CB 2.137 65.354 63.200 0.028 0.000 1.103 279 S HN 0.682 nan 8.310 nan 0.000 0.453 280 E N 0.104 120.297 120.200 -0.011 0.000 2.476 280 E HA 0.109 4.459 4.350 -0.000 0.000 0.199 280 E C 0.073 176.790 176.600 0.195 0.000 1.021 280 E CA 0.181 56.592 56.400 0.018 0.000 0.907 280 E CB 0.760 30.453 29.700 -0.013 0.000 0.974 280 E HN 0.440 nan 8.360 nan 0.000 0.489 281 c N 1.603 120.276 118.600 0.121 0.000 2.301 281 c HA 0.562 5.132 4.570 -0.000 0.000 0.323 281 c C -0.455 173.708 174.090 0.122 0.000 1.265 281 c CA -0.596 55.797 56.329 0.107 0.000 1.503 281 c CB -0.780 41.768 42.510 0.063 0.000 2.195 281 c HN 0.139 nan 8.230 nan 0.000 0.477 282 I N 5.708 126.366 120.570 0.147 0.000 2.474 282 I HA 0.612 4.782 4.170 -0.000 0.000 0.294 282 I C 0.364 176.545 176.117 0.106 0.000 1.005 282 I CA 0.119 61.503 61.300 0.139 0.000 1.113 282 I CB 2.487 40.602 38.000 0.192 0.000 1.289 282 I HN 0.791 nan 8.210 nan 0.000 0.436 283 T N 1.444 116.041 114.554 0.072 0.000 2.883 283 T HA 0.431 4.781 4.350 -0.000 0.000 0.301 283 T C -2.474 172.243 174.700 0.028 0.000 1.158 283 T CA -1.962 60.167 62.100 0.048 0.000 1.007 283 T CB 2.124 71.019 68.868 0.045 0.000 1.186 283 T HN 0.161 nan 8.240 nan 0.000 0.499 284 P HA -0.123 nan 4.420 nan 0.000 0.218 284 P C 0.838 178.140 177.300 0.004 0.000 1.152 284 P CA 1.404 64.503 63.100 -0.001 0.000 0.857 284 P CB -0.191 31.502 31.700 -0.011 0.000 0.787 285 N N -1.567 117.141 118.700 0.013 0.000 2.494 285 N HA 0.193 4.933 4.740 -0.000 0.000 0.182 285 N C 0.965 176.488 175.510 0.020 0.000 1.076 285 N CA 1.069 54.129 53.050 0.017 0.000 0.908 285 N CB -0.033 38.468 38.487 0.024 0.000 0.967 285 N HN 0.185 nan 8.380 nan 0.000 0.449 286 G N -1.462 107.353 108.800 0.025 0.000 2.347 286 G HA2 0.002 3.962 3.960 -0.000 0.000 0.341 286 G HA3 0.002 3.962 3.960 -0.000 0.000 0.341 286 G C -1.177 173.747 174.900 0.040 0.000 1.287 286 G CA -0.893 44.223 45.100 0.027 0.000 0.984 286 G HN 0.013 nan 8.290 nan 0.000 0.526 287 S N -0.535 115.190 115.700 0.042 0.000 2.601 287 S HA 0.730 5.200 4.470 -0.000 0.000 0.271 287 S C 0.510 175.136 174.600 0.045 0.000 1.305 287 S CA 0.243 58.474 58.200 0.052 0.000 1.022 287 S CB 0.702 63.933 63.200 0.052 0.000 0.940 287 S HN 1.224 nan 8.310 nan 0.000 0.525 288 I N -0.512 120.087 120.570 0.049 0.000 2.647 288 I HA 0.624 4.794 4.170 -0.000 0.000 0.295 288 I C -2.872 173.267 176.117 0.037 0.000 1.078 288 I CA -2.965 58.361 61.300 0.044 0.000 1.048 288 I CB 2.349 40.380 38.000 0.053 0.000 1.239 288 I HN 0.331 nan 8.210 nan 0.000 0.421 289 P HA 0.126 nan 4.420 nan 0.000 0.275 289 P C -0.755 176.555 177.300 0.017 0.000 1.227 289 P CA -0.205 62.907 63.100 0.019 0.000 0.781 289 P CB 0.603 32.312 31.700 0.014 0.000 0.906 290 N N 1.285 119.990 118.700 0.008 0.000 2.558 290 N HA -0.016 4.723 4.740 -0.000 0.000 0.281 290 N C -0.001 175.499 175.510 -0.017 0.000 1.219 290 N CA -0.331 52.718 53.050 -0.001 0.000 0.942 290 N CB -0.627 37.859 38.487 -0.002 0.000 1.241 290 N HN 0.213 nan 8.380 nan 0.000 0.511 291 D N -0.208 120.185 120.400 -0.012 0.000 2.194 291 D HA -0.065 4.575 4.640 -0.000 0.000 0.204 291 D C 0.163 176.445 176.300 -0.031 0.000 0.964 291 D CA 1.092 55.081 54.000 -0.018 0.000 0.846 291 D CB 0.095 40.889 40.800 -0.009 0.000 0.962 291 D HN 0.273 nan 8.370 nan 0.000 0.490 292 K N 0.438 120.823 120.400 -0.026 0.000 2.090 292 K HA 0.263 4.582 4.320 -0.000 0.000 0.250 292 K C -1.742 174.794 176.600 -0.106 0.000 1.004 292 K CA -1.623 54.639 56.287 -0.041 0.000 0.919 292 K CB 1.092 33.596 32.500 0.006 0.000 1.045 292 K HN -0.045 nan 8.250 nan 0.000 0.471 293 P HA 0.065 nan 4.420 nan 0.000 0.252 293 P C -0.610 176.344 177.300 -0.576 0.000 1.218 293 P CA 0.600 63.424 63.100 -0.461 0.000 0.807 293 P CB 0.474 31.756 31.700 -0.697 0.000 1.072 294 F N 0.601 120.546 119.950 -0.008 0.000 2.593 294 F HA 0.538 5.064 4.527 -0.000 0.000 0.320 294 F C 0.293 176.085 175.800 -0.013 0.000 1.060 294 F CA -0.799 57.190 58.000 -0.019 0.000 0.940 294 F CB 1.648 40.623 39.000 -0.043 0.000 1.268 294 F HN -0.242 nan 8.300 nan 0.000 0.475 295 Q N 0.077 119.995 119.800 0.197 0.000 2.456 295 Q HA 0.396 4.736 4.340 -0.000 0.000 0.284 295 Q C -1.402 174.634 176.000 0.060 0.000 1.061 295 Q CA -0.847 55.032 55.803 0.125 0.000 0.799 295 Q CB 2.116 30.939 28.738 0.142 0.000 1.445 295 Q HN 0.625 nan 8.270 nan 0.000 0.411 296 N N 1.080 119.823 118.700 0.072 0.000 2.387 296 N HA 0.133 4.873 4.740 -0.000 0.000 0.259 296 N C -0.537 175.101 175.510 0.213 0.000 1.369 296 N CA 0.161 53.231 53.050 0.034 0.000 0.867 296 N CB 0.906 39.361 38.487 -0.053 0.000 1.341 296 N HN 0.439 nan 8.380 nan 0.000 0.495 297 V N 0.328 120.385 119.914 0.237 0.000 2.374 297 V HA 0.207 4.326 4.120 -0.000 0.000 0.241 297 V C 0.677 176.861 176.094 0.150 0.000 1.034 297 V CA 0.811 63.210 62.300 0.165 0.000 1.037 297 V CB -0.096 31.792 31.823 0.108 0.000 0.682 297 V HN 0.384 nan 8.190 nan 0.000 0.463 298 N N -0.300 118.476 118.700 0.128 0.000 2.446 298 N HA 0.145 4.885 4.740 -0.000 0.000 0.272 298 N C 0.079 175.410 175.510 -0.299 0.000 1.127 298 N CA -0.330 52.668 53.050 -0.087 0.000 0.896 298 N CB 2.032 40.494 38.487 -0.042 0.000 1.658 298 N HN 0.282 nan 8.380 nan 0.000 0.483 299 K N 1.630 121.623 120.400 -0.679 0.000 2.525 299 K HA 0.195 4.515 4.320 -0.000 0.000 0.192 299 K C 0.083 176.546 176.600 -0.229 0.000 1.029 299 K CA 0.482 56.378 56.287 -0.651 0.000 1.029 299 K CB 0.142 32.196 32.500 -0.744 0.000 0.814 299 K HN 0.400 nan 8.250 nan 0.000 0.503 300 I N 2.810 123.289 120.570 -0.151 0.000 2.330 300 I HA 0.129 4.299 4.170 -0.000 0.000 0.289 300 I C -0.383 175.729 176.117 -0.008 0.000 1.001 300 I CA -0.504 60.760 61.300 -0.060 0.000 1.193 300 I CB 1.729 39.697 38.000 -0.053 0.000 1.345 300 I HN 0.180 nan 8.210 nan 0.000 0.461 301 T N 2.294 116.865 114.554 0.029 0.000 2.868 301 T HA 0.548 4.898 4.350 -0.000 0.000 0.306 301 T C -1.305 173.463 174.700 0.113 0.000 1.224 301 T CA -0.874 61.266 62.100 0.066 0.000 1.012 301 T CB 2.116 71.017 68.868 0.055 0.000 1.221 301 T HN 0.356 nan 8.240 nan 0.000 0.499 302 Y N 0.299 120.588 120.300 -0.018 0.000 2.433 302 Y HA 0.644 5.194 4.550 -0.000 0.000 0.337 302 Y C 0.147 176.008 175.900 -0.065 0.000 1.026 302 Y CA 0.820 58.887 58.100 -0.055 0.000 1.037 302 Y CB 1.384 39.798 38.460 -0.076 0.000 1.245 302 Y HN 1.561 nan 8.280 nan 0.000 0.443 303 G N 2.480 110.874 108.800 -0.678 0.000 2.352 303 G HA2 0.334 4.294 3.960 -0.000 0.000 0.324 303 G HA3 0.334 4.294 3.960 -0.000 0.000 0.324 303 G C -1.364 173.436 174.900 -0.166 0.000 1.249 303 G CA -0.509 44.332 45.100 -0.431 0.000 1.053 303 G HN 1.375 nan 8.290 nan 0.000 0.492 304 A N -0.524 122.279 122.820 -0.027 0.000 2.527 304 A HA 0.597 4.917 4.320 -0.000 0.000 0.313 304 A C 0.403 177.983 177.584 -0.006 0.000 1.410 304 A CA 0.614 52.638 52.037 -0.022 0.000 1.060 304 A CB -0.837 18.161 19.000 -0.003 0.000 1.137 304 A HN 1.631 nan 8.150 nan 0.000 0.542 305 c N 2.793 121.386 118.600 -0.011 0.000 2.707 305 c HA 0.636 5.206 4.570 -0.000 0.000 0.313 305 c C -2.350 171.748 174.090 0.013 0.000 1.209 305 c CA -1.017 55.319 56.329 0.012 0.000 1.635 305 c CB 1.589 44.118 42.510 0.031 0.000 2.206 305 c HN 0.703 nan 8.230 nan 0.000 0.485 306 P HA 0.155 nan 4.420 nan 0.000 0.268 306 P C -0.512 176.839 177.300 0.086 0.000 1.204 306 P CA 0.131 63.241 63.100 0.018 0.000 0.768 306 P CB 0.367 32.093 31.700 0.043 0.000 0.842 307 K N 1.926 122.383 120.400 0.096 0.000 2.380 307 K HA 0.035 4.355 4.320 -0.000 0.000 0.267 307 K C -0.073 176.681 176.600 0.257 0.000 0.990 307 K CA 0.218 56.616 56.287 0.185 0.000 0.946 307 K CB 0.120 32.756 32.500 0.226 0.000 0.937 307 K HN 0.450 nan 8.250 nan 0.000 0.491 308 Y N 2.069 122.440 120.300 0.120 0.000 2.334 308 Y HA 0.395 4.945 4.550 -0.000 0.000 0.328 308 Y C -0.456 175.486 175.900 0.069 0.000 1.130 308 Y CA -0.729 57.426 58.100 0.091 0.000 1.163 308 Y CB 0.881 39.373 38.460 0.054 0.000 1.207 308 Y HN 0.334 nan 8.280 nan 0.000 0.471 309 V N 2.707 122.173 119.914 -0.747 0.000 3.160 309 V HA 0.510 4.630 4.120 -0.000 0.000 0.310 309 V C -0.024 175.576 176.094 -0.823 0.000 1.181 309 V CA -1.169 60.769 62.300 -0.603 0.000 1.047 309 V CB 2.272 33.835 31.823 -0.434 0.000 1.068 309 V HN 0.833 nan 8.190 nan 0.000 0.441 310 K N -0.436 119.702 120.400 -0.438 0.000 2.305 310 K HA 0.131 4.451 4.320 -0.000 0.000 0.199 310 K C 0.270 176.749 176.600 -0.202 0.000 1.047 310 K CA 0.431 56.555 56.287 -0.273 0.000 0.976 310 K CB 0.036 32.462 32.500 -0.122 0.000 0.765 310 K HN 0.726 nan 8.250 nan 0.000 0.474 311 Q N 1.227 120.896 119.800 -0.219 0.000 2.332 311 Q HA 0.016 4.356 4.340 -0.000 0.000 0.263 311 Q C 0.647 176.572 176.000 -0.124 0.000 0.979 311 Q CA 0.039 55.748 55.803 -0.156 0.000 0.885 311 Q CB 0.617 29.249 28.738 -0.177 0.000 1.218 311 Q HN 0.359 nan 8.270 nan 0.000 0.405 312 N N 0.170 118.826 118.700 -0.074 0.000 2.422 312 N HA -0.036 4.704 4.740 -0.000 0.000 0.181 312 N C -0.029 175.463 175.510 -0.030 0.000 1.080 312 N CA 0.056 53.081 53.050 -0.042 0.000 0.893 312 N CB 0.554 39.028 38.487 -0.021 0.000 0.973 312 N HN 0.377 nan 8.380 nan 0.000 0.456 313 T N 0.076 114.605 114.554 -0.041 0.000 2.957 313 T HA 0.477 4.827 4.350 -0.000 0.000 0.336 313 T C -2.249 172.429 174.700 -0.036 0.000 1.462 313 T CA -0.718 61.368 62.100 -0.024 0.000 1.073 313 T CB 1.329 70.189 68.868 -0.014 0.000 1.319 313 T HN 0.096 nan 8.240 nan 0.000 0.485 314 L N 4.622 125.836 121.223 -0.015 0.000 2.666 314 L HA 0.421 4.761 4.340 -0.000 0.000 0.258 314 L C -0.554 176.328 176.870 0.020 0.000 0.991 314 L CA -0.972 53.859 54.840 -0.015 0.000 0.916 314 L CB 1.724 43.759 42.059 -0.040 0.000 1.199 314 L HN 0.405 nan 8.230 nan 0.000 0.439 315 K N 3.121 123.528 120.400 0.011 0.000 2.276 315 K HA 0.420 4.740 4.320 -0.000 0.000 0.285 315 K C -0.549 176.064 176.600 0.021 0.000 1.062 315 K CA -0.629 55.669 56.287 0.017 0.000 0.918 315 K CB 2.432 34.936 32.500 0.007 0.000 1.055 315 K HN 0.313 nan 8.250 nan 0.000 0.477 316 L N 2.335 123.575 121.223 0.029 0.000 2.275 316 L HA 0.298 4.638 4.340 -0.000 0.000 0.288 316 L C -0.258 176.623 176.870 0.019 0.000 1.046 316 L CA -0.139 54.718 54.840 0.028 0.000 0.805 316 L CB 1.156 43.238 42.059 0.038 0.000 1.193 316 L HN 0.725 nan 8.230 nan 0.000 0.426 317 A N 3.057 125.885 122.820 0.014 0.000 2.515 317 A HA 0.384 4.704 4.320 -0.000 0.000 0.263 317 A C 0.809 178.401 177.584 0.012 0.000 1.096 317 A CA 0.450 52.493 52.037 0.010 0.000 0.769 317 A CB -0.481 18.523 19.000 0.005 0.000 1.040 317 A HN 0.859 nan 8.150 nan 0.000 0.505 318 T N 0.289 114.851 114.554 0.015 0.000 3.266 318 T HA 0.557 4.907 4.350 -0.000 0.000 0.278 318 T C 0.476 175.192 174.700 0.027 0.000 1.010 318 T CA 0.168 62.278 62.100 0.018 0.000 0.909 318 T CB 0.019 68.898 68.868 0.018 0.000 1.122 318 T HN 1.276 nan 8.240 nan 0.000 0.536 319 G N 1.403 110.219 108.800 0.027 0.000 2.645 319 G HA2 0.627 4.587 3.960 -0.000 0.000 0.292 319 G HA3 0.627 4.587 3.960 -0.000 0.000 0.292 319 G C -0.733 174.187 174.900 0.035 0.000 1.415 319 G CA -1.265 43.864 45.100 0.048 0.000 0.785 319 G HN 0.500 nan 8.290 nan 0.000 0.483 320 M N -0.554 119.080 119.600 0.057 0.000 2.363 320 M HA 0.705 5.185 4.480 -0.000 0.000 0.280 320 M C 0.572 176.865 176.300 -0.011 0.000 1.182 320 M CA -0.730 54.574 55.300 0.006 0.000 0.974 320 M CB 1.006 33.597 32.600 -0.015 0.000 1.452 320 M HN 0.475 nan 8.290 nan 0.000 0.507 321 R N 1.274 121.744 120.500 -0.050 0.000 2.679 321 R HA 0.045 4.384 4.340 -0.000 0.000 0.268 321 R C -1.040 175.238 176.300 -0.037 0.000 1.044 321 R CA 0.249 56.323 56.100 -0.044 0.000 1.105 321 R CB 0.269 30.536 30.300 -0.055 0.000 0.989 321 R HN 0.860 nan 8.270 nan 0.000 0.447 322 N N 2.642 121.334 118.700 -0.014 0.000 2.469 322 N HA 0.218 4.958 4.740 -0.000 0.000 0.253 322 N C -1.758 173.770 175.510 0.030 0.000 0.970 322 N CA -0.581 52.469 53.050 0.000 0.000 0.940 322 N CB 1.469 39.941 38.487 -0.026 0.000 1.128 322 N HN 0.268 nan 8.380 nan 0.000 0.503 323 V N 5.573 125.540 119.914 0.087 0.000 2.250 323 V HA 0.409 4.529 4.120 -0.000 0.000 0.268 323 V C -1.821 174.316 176.094 0.071 0.000 1.043 323 V CA -1.340 61.014 62.300 0.089 0.000 0.814 323 V CB 0.398 32.307 31.823 0.144 0.000 1.072 323 V HN 0.667 nan 8.190 nan 0.000 0.451 324 P HA 0.213 nan 4.420 nan 0.000 0.272 324 P C -0.204 177.102 177.300 0.009 0.000 1.223 324 P CA -0.344 62.764 63.100 0.014 0.000 0.784 324 P CB 1.034 32.736 31.700 0.002 0.000 0.923 325 E N 1.090 121.291 120.200 0.000 0.000 2.238 325 E HA 0.421 4.771 4.350 -0.000 0.000 0.264 325 E C 0.538 177.137 176.600 -0.002 0.000 1.136 325 E CA 0.120 56.518 56.400 -0.004 0.000 0.929 325 E CB -0.195 29.500 29.700 -0.009 0.000 1.010 325 E HN 0.583 nan 8.360 nan 0.000 0.440 326 K N 0.000 120.400 120.400 -0.000 0.000 2.780 326 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 326 K CA 0.000 nan 56.287 nan 0.000 0.838 326 K CB 0.000 nan 32.500 nan 0.000 1.064 326 K HN 0.000 nan 8.250 nan 0.000 0.543