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 2o4v_1_A DATA FIRST_RESID 1 DATA SEQUENCE GTVTTDGADI VIKTKGGLEV ATTDKEFSFK LGGRLQADYG RFDGYYTNNG DATA SEQUENCE NTADAAYFRR AYLEFGGTAY RDWKYQINYD LSRNVGNDSA GYFDEASVTY DATA SEQUENCE TGFNPVNLKF GRFYTDFGLE KATSSKWVTA LERNLTYDIA DWVNDNVGTG DATA SEQUENCE IQASSVVGGM AFLSGSVFSE NNNDTDGDSV KRYNLRGVFA PLHEPGNVVH DATA SEQUENCE LGLQYAYRDL EDSAVDTRIR PRMGMRGVST NGGNDAGSNG NRGLFGGSSA DATA SEQUENCE VEGLWKDDSV WGLEGAWALG AFSAQAEYLR RTVKAERDRE DLKASGYYAQ DATA SEQUENCE LAYTLTGEPR LYKLDGAKFD TIKPENKEIG AWELFYRYDS IKVEDDNIVV DATA SEQUENCE DSATREVGDA KGKTHTLGVN WYANEAVKVS ANYVKAKTDK ISNANGDDSG DATA SEQUENCE DGLVMRLQYV F 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.904 174.900 0.007 0.000 0.946 1 G CA 0.000 45.103 45.100 0.005 0.000 0.502 2 T N -2.305 112.253 114.554 0.006 0.000 2.874 2 T HA 0.674 5.024 4.350 -0.000 0.000 0.281 2 T C -0.367 174.338 174.700 0.008 0.000 0.994 2 T CA -0.636 61.469 62.100 0.008 0.000 1.015 2 T CB 1.746 70.618 68.868 0.007 0.000 1.028 2 T HN 0.978 nan 8.240 nan 0.000 0.523 3 V N 2.449 122.370 119.914 0.010 0.000 2.443 3 V HA 0.623 4.743 4.120 -0.000 0.000 0.293 3 V C 0.449 176.550 176.094 0.012 0.000 1.021 3 V CA -0.595 61.712 62.300 0.012 0.000 0.848 3 V CB 1.044 32.876 31.823 0.015 0.000 0.998 3 V HN 1.368 nan 8.190 nan 0.000 0.424 4 T N 0.627 115.187 114.554 0.010 0.000 2.858 4 T HA 0.804 5.154 4.350 -0.000 0.000 0.285 4 T C -0.413 174.292 174.700 0.008 0.000 1.052 4 T CA -0.767 61.339 62.100 0.010 0.000 1.009 4 T CB 2.322 71.195 68.868 0.008 0.000 1.241 4 T HN 0.591 nan 8.240 nan 0.000 0.542 5 T N -0.460 114.098 114.554 0.008 0.000 2.900 5 T HA 0.438 4.788 4.350 -0.000 0.000 0.303 5 T C -0.420 174.281 174.700 0.002 0.000 1.142 5 T CA -0.380 61.722 62.100 0.003 0.000 1.007 5 T CB 1.617 70.490 68.868 0.008 0.000 1.156 5 T HN 0.799 nan 8.240 nan 0.000 0.490 6 D N 1.181 121.577 120.400 -0.007 0.000 2.350 6 D HA 0.214 4.854 4.640 -0.000 0.000 0.213 6 D C 1.057 177.358 176.300 0.002 0.000 1.031 6 D CA -0.013 53.985 54.000 -0.004 0.000 0.861 6 D CB -0.048 40.745 40.800 -0.011 0.000 0.926 6 D HN 0.571 nan 8.370 nan 0.000 0.520 7 G N 0.260 109.061 108.800 0.001 0.000 2.849 7 G HA2 0.548 4.508 3.960 -0.000 0.000 0.174 7 G HA3 0.548 4.508 3.960 -0.000 0.000 0.174 7 G C -0.253 174.671 174.900 0.041 0.000 1.370 7 G CA -0.222 44.890 45.100 0.020 0.000 1.040 7 G HN 0.310 nan 8.290 nan 0.000 0.582 8 A N -0.376 122.486 122.820 0.070 0.000 2.466 8 A HA 0.409 4.729 4.320 -0.000 0.000 0.238 8 A C 0.047 177.665 177.584 0.057 0.000 1.074 8 A CA -0.209 51.870 52.037 0.070 0.000 0.774 8 A CB -0.178 18.879 19.000 0.095 0.000 1.015 8 A HN 0.501 nan 8.150 nan 0.000 0.498 9 D N -0.005 120.422 120.400 0.046 0.000 2.548 9 D HA 0.178 4.818 4.640 -0.000 0.000 0.231 9 D C -0.172 176.156 176.300 0.047 0.000 1.142 9 D CA 1.228 55.251 54.000 0.039 0.000 0.866 9 D CB 0.333 41.152 40.800 0.031 0.000 1.190 9 D HN 0.366 nan 8.370 nan 0.000 0.469 10 I N 1.199 121.794 120.570 0.042 0.000 2.509 10 I HA 0.215 4.385 4.170 -0.000 0.000 0.293 10 I C -0.446 175.696 176.117 0.042 0.000 1.020 10 I CA -0.998 60.332 61.300 0.050 0.000 1.088 10 I CB 2.202 40.233 38.000 0.052 0.000 1.267 10 I HN -0.059 nan 8.210 nan 0.000 0.430 11 V N 6.896 126.837 119.914 0.045 0.000 2.459 11 V HA 0.490 4.610 4.120 -0.000 0.000 0.295 11 V C -0.054 176.066 176.094 0.044 0.000 1.029 11 V CA -0.454 61.868 62.300 0.037 0.000 0.874 11 V CB 1.841 33.681 31.823 0.029 0.000 0.985 11 V HN 0.438 nan 8.190 nan 0.000 0.438 12 I N 4.846 125.440 120.570 0.041 0.000 2.493 12 I HA 0.582 4.752 4.170 -0.000 0.000 0.298 12 I C -0.242 175.896 176.117 0.036 0.000 0.998 12 I CA -0.686 60.642 61.300 0.047 0.000 1.137 12 I CB 1.919 39.950 38.000 0.051 0.000 1.310 12 I HN 0.514 nan 8.210 nan 0.000 0.445 13 K N 2.896 123.316 120.400 0.035 0.000 2.469 13 K HA 0.661 4.981 4.320 -0.000 0.000 0.254 13 K C -1.037 175.582 176.600 0.031 0.000 0.939 13 K CA -0.834 55.468 56.287 0.026 0.000 0.812 13 K CB 2.670 35.180 32.500 0.016 0.000 1.301 13 K HN 0.503 nan 8.250 nan 0.000 0.433 14 T N 0.906 115.479 114.554 0.032 0.000 2.971 14 T HA 0.312 4.662 4.350 -0.000 0.000 0.304 14 T C -0.919 173.807 174.700 0.043 0.000 1.038 14 T CA -0.663 61.462 62.100 0.042 0.000 1.007 14 T CB 0.675 69.569 68.868 0.044 0.000 1.055 14 T HN 0.472 nan 8.240 nan 0.000 0.451 15 K N 2.837 123.273 120.400 0.061 0.000 2.792 15 K HA 0.354 4.674 4.320 -0.000 0.000 0.207 15 K C 1.043 177.714 176.600 0.119 0.000 1.103 15 K CA 0.277 56.604 56.287 0.068 0.000 1.048 15 K CB 0.988 33.519 32.500 0.052 0.000 0.777 15 K HN 1.018 nan 8.250 nan 0.000 0.468 16 G N -0.095 108.774 108.800 0.116 0.000 2.352 16 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.204 16 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.204 16 G C 0.498 175.469 174.900 0.119 0.000 1.004 16 G CA -0.199 44.979 45.100 0.130 0.000 0.648 16 G HN 0.515 nan 8.290 nan 0.000 0.491 17 G N -0.757 108.170 108.800 0.212 0.000 3.039 17 G HA2 0.791 4.751 3.960 -0.000 0.000 0.159 17 G HA3 0.791 4.751 3.960 -0.000 0.000 0.159 17 G C -1.169 173.793 174.900 0.102 0.000 1.284 17 G CA -0.163 45.081 45.100 0.241 0.000 0.996 17 G HN 1.141 nan 8.290 nan 0.000 0.592 18 L N -0.703 120.548 121.223 0.046 0.000 2.482 18 L HA 0.623 4.963 4.340 -0.000 0.000 0.263 18 L C -1.176 175.663 176.870 -0.052 0.000 0.957 18 L CA -0.471 54.383 54.840 0.025 0.000 0.836 18 L CB 2.285 44.394 42.059 0.084 0.000 1.324 18 L HN 0.617 nan 8.230 nan 0.000 0.406 19 E N 3.399 123.593 120.200 -0.009 0.000 2.248 19 E HA 0.734 5.084 4.350 -0.000 0.000 0.267 19 E C -1.634 174.999 176.600 0.055 0.000 0.877 19 E CA -0.830 55.558 56.400 -0.019 0.000 0.759 19 E CB 2.879 32.565 29.700 -0.024 0.000 1.182 19 E HN 0.364 nan 8.360 nan 0.000 0.418 20 V N 1.649 121.625 119.914 0.104 0.000 2.569 20 V HA 0.757 4.877 4.120 -0.000 0.000 0.301 20 V C -0.942 175.233 176.094 0.136 0.000 1.044 20 V CA -0.573 61.808 62.300 0.135 0.000 0.874 20 V CB 1.623 33.564 31.823 0.197 0.000 1.002 20 V HN 0.776 nan 8.190 nan 0.000 0.424 21 A N 2.771 125.652 122.820 0.102 0.000 2.488 21 A HA 0.851 5.171 4.320 -0.000 0.000 0.298 21 A C -0.127 177.513 177.584 0.093 0.000 1.044 21 A CA -0.391 51.707 52.037 0.101 0.000 0.693 21 A CB 1.812 20.852 19.000 0.066 0.000 1.272 21 A HN 0.956 nan 8.150 nan 0.000 0.402 22 T N -0.487 114.137 114.554 0.117 0.000 2.907 22 T HA 0.386 4.736 4.350 -0.000 0.000 0.298 22 T C 1.264 176.001 174.700 0.061 0.000 1.017 22 T CA 0.462 62.624 62.100 0.103 0.000 1.118 22 T CB 0.816 69.783 68.868 0.165 0.000 0.948 22 T HN 1.313 nan 8.240 nan 0.000 0.531 23 T N -1.434 113.148 114.554 0.047 0.000 3.072 23 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 23 T C 1.076 175.785 174.700 0.016 0.000 1.127 23 T CA 0.747 62.864 62.100 0.027 0.000 1.107 23 T CB -0.461 68.422 68.868 0.024 0.000 0.910 23 T HN 0.781 nan 8.240 nan 0.000 0.513 24 D N 1.005 121.415 120.400 0.017 0.000 2.340 24 D HA 0.064 4.704 4.640 -0.000 0.000 0.220 24 D C 0.799 177.081 176.300 -0.030 0.000 1.039 24 D CA -0.148 53.850 54.000 -0.003 0.000 0.866 24 D CB -0.383 40.419 40.800 0.004 0.000 0.913 24 D HN 0.487 nan 8.370 nan 0.000 0.523 25 K N -1.115 119.269 120.400 -0.027 0.000 3.446 25 K HA -0.293 4.027 4.320 -0.000 0.000 0.312 25 K C 0.993 177.528 176.600 -0.108 0.000 1.329 25 K CA 1.156 57.414 56.287 -0.047 0.000 0.935 25 K CB -1.587 30.885 32.500 -0.046 0.000 1.281 25 K HN 0.355 nan 8.250 nan 0.000 0.457 26 E N 0.063 120.157 120.200 -0.178 0.000 2.086 26 E HA 0.043 4.393 4.350 -0.000 0.000 0.190 26 E C -0.185 175.995 176.600 -0.702 0.000 0.975 26 E CA 0.780 56.898 56.400 -0.470 0.000 0.813 26 E CB 0.326 29.671 29.700 -0.592 0.000 0.768 26 E HN 0.240 nan 8.360 nan 0.000 0.457 27 F N -0.042 119.890 119.950 -0.030 0.000 2.565 27 F HA 0.483 5.010 4.527 -0.000 0.000 0.313 27 F C -0.415 175.406 175.800 0.035 0.000 1.091 27 F CA -0.798 57.191 58.000 -0.018 0.000 0.915 27 F CB 2.346 41.309 39.000 -0.062 0.000 1.208 27 F HN -0.082 nan 8.300 nan 0.000 0.453 28 S N 1.787 117.652 115.700 0.276 0.000 2.565 28 S HA 0.812 5.282 4.470 -0.000 0.000 0.269 28 S C -1.902 172.880 174.600 0.303 0.000 1.153 28 S CA -0.726 57.605 58.200 0.217 0.000 0.835 28 S CB 2.213 65.481 63.200 0.114 0.000 1.122 28 S HN 0.590 nan 8.310 nan 0.000 0.462 29 F N 1.264 121.272 119.950 0.096 0.000 2.569 29 F HA 0.780 5.306 4.527 -0.000 0.000 0.312 29 F C -0.964 174.871 175.800 0.059 0.000 1.109 29 F CA -0.606 57.455 58.000 0.101 0.000 0.919 29 F CB 1.940 41.027 39.000 0.144 0.000 1.211 29 F HN 0.934 nan 8.300 nan 0.000 0.446 30 K N 7.426 127.358 120.400 -0.780 0.000 2.541 30 K HA 0.550 4.869 4.320 -0.000 0.000 0.250 30 K C -2.311 173.722 176.600 -0.945 0.000 0.950 30 K CA -0.690 55.183 56.287 -0.690 0.000 0.805 30 K CB 1.730 34.033 32.500 -0.328 0.000 1.166 30 K HN 0.879 nan 8.250 nan 0.000 0.430 31 L N 4.231 124.982 121.223 -0.787 0.000 2.305 31 L HA 0.730 5.070 4.340 -0.000 0.000 0.284 31 L C -0.419 176.269 176.870 -0.303 0.000 1.013 31 L CA -0.138 54.374 54.840 -0.547 0.000 0.819 31 L CB 1.271 43.172 42.059 -0.264 0.000 1.227 31 L HN 0.899 nan 8.230 nan 0.000 0.417 32 G N 2.287 110.851 108.800 -0.393 0.000 2.870 32 G HA2 0.829 4.789 3.960 -0.000 0.000 0.299 32 G HA3 0.829 4.789 3.960 -0.000 0.000 0.299 32 G C -0.963 173.392 174.900 -0.908 0.000 1.324 32 G CA -0.241 44.563 45.100 -0.494 0.000 0.808 32 G HN 0.955 nan 8.290 nan 0.000 0.535 33 G N -1.193 106.733 108.800 -1.456 0.000 2.342 33 G HA2 0.675 4.635 3.960 -0.000 0.000 0.297 33 G HA3 0.675 4.635 3.960 -0.000 0.000 0.297 33 G C -1.628 172.753 174.900 -0.864 0.000 1.313 33 G CA -0.309 44.108 45.100 -1.138 0.000 0.830 33 G HN 1.214 nan 8.290 nan 0.000 0.506 34 R N -1.009 119.253 120.500 -0.397 0.000 2.566 34 R HA 0.705 5.044 4.340 -0.000 0.000 0.271 34 R C -2.346 173.862 176.300 -0.153 0.000 1.071 34 R CA -0.901 55.043 56.100 -0.260 0.000 0.915 34 R CB 1.924 31.997 30.300 -0.377 0.000 1.228 34 R HN 0.746 nan 8.270 nan 0.000 0.449 35 L N 2.154 123.349 121.223 -0.046 0.000 2.349 35 L HA 0.408 4.748 4.340 -0.000 0.000 0.278 35 L C -1.026 175.840 176.870 -0.006 0.000 0.996 35 L CA -0.238 54.576 54.840 -0.043 0.000 0.825 35 L CB 2.049 44.096 42.059 -0.020 0.000 1.243 35 L HN 0.721 nan 8.230 nan 0.000 0.412 36 Q N 4.454 124.262 119.800 0.013 0.000 2.363 36 Q HA 0.713 5.053 4.340 -0.000 0.000 0.265 36 Q C -0.803 175.261 176.000 0.106 0.000 1.032 36 Q CA -0.576 55.232 55.803 0.007 0.000 0.746 36 Q CB 1.886 30.572 28.738 -0.087 0.000 1.237 36 Q HN 0.763 nan 8.270 nan 0.000 0.475 37 A N 3.115 125.982 122.820 0.077 0.000 2.249 37 A HA 0.492 4.812 4.320 -0.000 0.000 0.314 37 A C -0.882 176.563 177.584 -0.232 0.000 1.290 37 A CA -0.547 51.445 52.037 -0.075 0.000 0.893 37 A CB 0.481 19.479 19.000 -0.004 0.000 1.165 37 A HN 0.529 nan 8.150 nan 0.000 0.530 38 D N 0.505 120.610 120.400 -0.491 0.000 2.198 38 D HA 0.498 5.138 4.640 -0.000 0.000 0.247 38 D C -1.297 174.772 176.300 -0.385 0.000 1.010 38 D CA 0.348 54.044 54.000 -0.507 0.000 0.880 38 D CB 1.424 41.728 40.800 -0.826 0.000 1.209 38 D HN 0.439 nan 8.370 nan 0.000 0.451 39 Y N 0.411 120.546 120.300 -0.274 0.000 2.346 39 Y HA 0.563 5.113 4.550 -0.000 0.000 0.332 39 Y C -0.420 175.455 175.900 -0.043 0.000 0.985 39 Y CA -0.779 57.233 58.100 -0.147 0.000 1.112 39 Y CB 1.672 40.062 38.460 -0.117 0.000 1.170 39 Y HN 0.402 nan 8.280 nan 0.000 0.447 40 G N 5.599 114.096 108.800 -0.505 0.000 2.524 40 G HA2 0.704 4.664 3.960 -0.000 0.000 0.310 40 G HA3 0.704 4.664 3.960 -0.000 0.000 0.310 40 G C -1.552 173.088 174.900 -0.433 0.000 1.279 40 G CA -1.139 43.791 45.100 -0.283 0.000 0.974 40 G HN 0.611 nan 8.290 nan 0.000 0.484 41 R N 0.225 120.563 120.500 -0.269 0.000 2.621 41 R HA 0.658 4.998 4.340 -0.000 0.000 0.292 41 R C -1.373 174.868 176.300 -0.099 0.000 0.969 41 R CA -0.622 55.264 56.100 -0.355 0.000 0.887 41 R CB 2.042 32.177 30.300 -0.275 0.000 1.180 41 R HN 0.587 nan 8.270 nan 0.000 0.450 42 F N -0.644 119.241 119.950 -0.107 0.000 2.654 42 F HA 0.584 5.111 4.527 -0.000 0.000 0.308 42 F C -1.035 174.805 175.800 0.067 0.000 1.108 42 F CA -1.206 56.768 58.000 -0.042 0.000 0.957 42 F CB 1.464 40.336 39.000 -0.214 0.000 1.309 42 F HN 0.483 nan 8.300 nan 0.000 0.446 43 D N -0.325 120.294 120.400 0.365 0.000 2.895 43 D HA 0.650 5.290 4.640 -0.000 0.000 0.320 43 D C 0.567 177.044 176.300 0.294 0.000 1.249 43 D CA -0.133 54.016 54.000 0.248 0.000 0.997 43 D CB 0.827 41.701 40.800 0.123 0.000 1.430 43 D HN 1.355 nan 8.370 nan 0.000 0.558 44 G N 0.040 108.945 108.800 0.174 0.000 2.583 44 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.292 44 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.292 44 G C 0.833 175.809 174.900 0.127 0.000 1.203 44 G CA 1.157 46.340 45.100 0.138 0.000 0.987 44 G HN 0.908 nan 8.290 nan 0.000 0.554 45 Y N 0.567 120.843 120.300 -0.039 0.000 2.241 45 Y HA -0.167 4.383 4.550 -0.000 0.000 0.286 45 Y C 2.870 178.747 175.900 -0.039 0.000 1.166 45 Y CA 2.827 60.872 58.100 -0.091 0.000 1.203 45 Y CB -0.411 37.928 38.460 -0.202 0.000 0.977 45 Y HN 0.477 nan 8.280 nan 0.000 0.529 46 Y N 0.608 120.970 120.300 0.104 0.000 2.333 46 Y HA -0.090 4.459 4.550 -0.000 0.000 0.290 46 Y C 1.508 177.424 175.900 0.027 0.000 1.144 46 Y CA 1.047 59.175 58.100 0.047 0.000 1.228 46 Y CB -0.900 37.672 38.460 0.187 0.000 0.985 46 Y HN 0.155 nan 8.280 nan 0.000 0.542 47 T N -3.519 111.145 114.554 0.183 0.000 2.942 47 T HA 0.277 4.627 4.350 -0.000 0.000 0.289 47 T C 0.844 175.545 174.700 0.003 0.000 1.044 47 T CA -0.893 61.278 62.100 0.119 0.000 1.023 47 T CB 1.557 70.507 68.868 0.135 0.000 1.123 47 T HN -0.075 nan 8.240 nan 0.000 0.512 48 N N 1.629 120.329 118.700 0.000 0.000 2.188 48 N HA -0.096 4.644 4.740 -0.000 0.000 0.184 48 N C 1.411 176.915 175.510 -0.009 0.000 1.018 48 N CA 1.515 54.551 53.050 -0.023 0.000 0.858 48 N CB -0.439 38.041 38.487 -0.011 0.000 0.989 48 N HN 0.856 nan 8.380 nan 0.000 0.426 49 N N -0.874 117.829 118.700 0.006 0.000 2.280 49 N HA 0.130 4.870 4.740 -0.000 0.000 0.192 49 N C 1.082 176.604 175.510 0.020 0.000 1.109 49 N CA 0.778 53.834 53.050 0.010 0.000 0.855 49 N CB 0.170 38.663 38.487 0.009 0.000 0.974 49 N HN 0.173 nan 8.380 nan 0.000 0.482 50 G N -0.580 108.238 108.800 0.030 0.000 2.199 50 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.254 50 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.254 50 G C -0.118 174.812 174.900 0.050 0.000 0.982 50 G CA 0.138 45.267 45.100 0.049 0.000 0.632 50 G HN 0.470 nan 8.290 nan 0.000 0.529 51 N N 0.716 119.434 118.700 0.030 0.000 2.381 51 N HA 0.428 5.168 4.740 -0.000 0.000 0.254 51 N C 0.366 175.872 175.510 -0.007 0.000 1.264 51 N CA 0.474 53.532 53.050 0.012 0.000 0.942 51 N CB 0.238 38.725 38.487 -0.001 0.000 1.190 51 N HN 0.149 nan 8.380 nan 0.000 0.495 52 T N 0.732 115.262 114.554 -0.040 0.000 2.779 52 T HA 0.476 4.825 4.350 -0.000 0.000 0.296 52 T C 0.245 174.821 174.700 -0.207 0.000 0.938 52 T CA -0.395 61.636 62.100 -0.114 0.000 1.119 52 T CB 0.422 69.234 68.868 -0.094 0.000 0.891 52 T HN 0.517 nan 8.240 nan 0.000 0.526 53 A N 3.446 126.014 122.820 -0.419 0.000 2.309 53 A HA 0.859 5.179 4.320 -0.000 0.000 0.317 53 A C -0.345 176.709 177.584 -0.883 0.000 1.134 53 A CA -0.813 50.907 52.037 -0.528 0.000 0.866 53 A CB 1.039 19.784 19.000 -0.425 0.000 1.329 53 A HN 0.827 nan 8.150 nan 0.000 0.477 54 D N -1.660 118.388 120.400 -0.586 0.000 2.636 54 D HA 0.719 5.359 4.640 -0.000 0.000 0.275 54 D C -0.890 175.335 176.300 -0.125 0.000 1.130 54 D CA -0.084 53.614 54.000 -0.503 0.000 1.031 54 D CB 1.639 42.273 40.800 -0.275 0.000 1.451 54 D HN 1.188 nan 8.370 nan 0.000 0.505 55 A N -0.570 122.256 122.820 0.011 0.000 2.480 55 A HA 0.682 5.002 4.320 -0.000 0.000 0.289 55 A C -1.452 176.334 177.584 0.336 0.000 1.044 55 A CA -0.294 51.899 52.037 0.260 0.000 0.761 55 A CB 1.199 20.427 19.000 0.380 0.000 1.289 55 A HN 1.021 nan 8.150 nan 0.000 0.401 56 A N 2.474 125.505 122.820 0.351 0.000 2.285 56 A HA 0.873 5.192 4.320 -0.000 0.000 0.310 56 A C -0.826 176.812 177.584 0.091 0.000 1.266 56 A CA -0.441 51.719 52.037 0.205 0.000 0.832 56 A CB 0.154 19.255 19.000 0.168 0.000 1.163 56 A HN 1.934 nan 8.150 nan 0.000 0.499 57 Y N -0.706 119.504 120.300 -0.151 0.000 2.624 57 Y HA 0.724 5.274 4.550 -0.000 0.000 0.334 57 Y C -1.504 174.211 175.900 -0.307 0.000 1.155 57 Y CA -2.329 55.647 58.100 -0.207 0.000 1.046 57 Y CB 0.530 38.953 38.460 -0.062 0.000 1.316 57 Y HN 0.349 nan 8.280 nan 0.000 0.457 58 F N 2.484 122.488 119.950 0.089 0.000 2.445 58 F HA 0.465 4.992 4.527 -0.000 0.000 0.359 58 F C 1.535 177.436 175.800 0.169 0.000 1.101 58 F CA -0.528 57.487 58.000 0.025 0.000 1.177 58 F CB 1.363 40.374 39.000 0.018 0.000 1.110 58 F HN 0.637 nan 8.300 nan 0.000 0.522 59 R N 2.424 123.076 120.500 0.253 0.000 2.090 59 R HA 0.107 4.446 4.340 -0.000 0.000 0.228 59 R C -0.184 176.199 176.300 0.139 0.000 1.110 59 R CA 1.402 57.664 56.100 0.272 0.000 0.973 59 R CB 0.199 30.591 30.300 0.154 0.000 0.869 59 R HN 0.665 nan 8.270 nan 0.000 0.440 60 R N -1.881 118.649 120.500 0.050 0.000 2.604 60 R HA 0.604 4.944 4.340 -0.000 0.000 0.270 60 R C -1.681 174.558 176.300 -0.102 0.000 1.052 60 R CA -0.205 55.831 56.100 -0.106 0.000 0.902 60 R CB 2.222 32.205 30.300 -0.528 0.000 1.233 60 R HN 0.107 nan 8.270 nan 0.000 0.455 61 A N 2.827 125.633 122.820 -0.022 0.000 2.984 61 A HA 0.412 4.732 4.320 -0.000 0.000 0.320 61 A C -1.485 176.197 177.584 0.165 0.000 1.142 61 A CA -0.548 51.462 52.037 -0.046 0.000 0.772 61 A CB 0.390 19.292 19.000 -0.163 0.000 1.195 61 A HN 0.469 nan 8.150 nan 0.000 0.459 62 Y N 0.911 121.189 120.300 -0.037 0.000 2.308 62 Y HA 0.569 5.119 4.550 -0.000 0.000 0.329 62 Y C 0.274 176.160 175.900 -0.022 0.000 1.111 62 Y CA -1.504 56.590 58.100 -0.009 0.000 1.179 62 Y CB 0.998 39.439 38.460 -0.032 0.000 1.201 62 Y HN 0.445 nan 8.280 nan 0.000 0.483 63 L N 3.614 124.974 121.223 0.228 0.000 2.295 63 L HA 0.502 4.841 4.340 -0.000 0.000 0.285 63 L C -0.302 176.595 176.870 0.045 0.000 1.035 63 L CA -0.561 54.345 54.840 0.111 0.000 0.806 63 L CB 1.332 43.569 42.059 0.297 0.000 1.214 63 L HN 0.563 nan 8.230 nan 0.000 0.426 64 E N 3.548 123.560 120.200 -0.315 0.000 2.216 64 E HA 0.472 4.822 4.350 -0.000 0.000 0.260 64 E C -1.581 174.741 176.600 -0.465 0.000 0.880 64 E CA -0.376 55.899 56.400 -0.208 0.000 0.765 64 E CB 1.859 31.454 29.700 -0.174 0.000 1.174 64 E HN 0.271 nan 8.360 nan 0.000 0.417 65 F N 1.403 121.422 119.950 0.115 0.000 2.477 65 F HA 0.652 5.178 4.527 -0.000 0.000 0.335 65 F C 0.692 176.540 175.800 0.081 0.000 1.130 65 F CA -0.706 57.406 58.000 0.186 0.000 0.948 65 F CB 2.197 41.449 39.000 0.420 0.000 1.154 65 F HN 0.456 nan 8.300 nan 0.000 0.439 66 G N 0.641 109.385 108.800 -0.092 0.000 2.660 66 G HA2 0.756 4.716 3.960 -0.000 0.000 0.294 66 G HA3 0.756 4.716 3.960 -0.000 0.000 0.294 66 G C -1.114 173.431 174.900 -0.591 0.000 1.369 66 G CA -0.788 43.986 45.100 -0.543 0.000 0.912 66 G HN 0.963 nan 8.290 nan 0.000 0.479 67 G N -1.313 106.997 108.800 -0.816 0.000 2.495 67 G HA2 0.657 4.617 3.960 -0.000 0.000 0.294 67 G HA3 0.657 4.617 3.960 -0.000 0.000 0.294 67 G C -1.355 173.565 174.900 0.033 0.000 1.397 67 G CA -0.301 44.708 45.100 -0.151 0.000 0.790 67 G HN 0.850 nan 8.290 nan 0.000 0.486 68 T N -0.265 114.414 114.554 0.209 0.000 2.912 68 T HA 0.797 5.147 4.350 -0.000 0.000 0.299 68 T C -0.450 174.423 174.700 0.288 0.000 1.052 68 T CA 0.126 62.353 62.100 0.211 0.000 0.996 68 T CB 1.726 70.650 68.868 0.093 0.000 1.070 68 T HN 1.598 nan 8.240 nan 0.000 0.465 69 A N 1.577 124.579 122.820 0.304 0.000 2.422 69 A HA 0.684 5.004 4.320 -0.000 0.000 0.302 69 A C -0.961 176.732 177.584 0.181 0.000 1.041 69 A CA -0.829 51.371 52.037 0.271 0.000 0.708 69 A CB 0.364 19.649 19.000 0.477 0.000 1.257 69 A HN 0.945 nan 8.150 nan 0.000 0.414 70 Y N 1.069 121.232 120.300 -0.227 0.000 3.225 70 Y HA -0.314 4.236 4.550 -0.000 0.000 0.211 70 Y C 1.497 177.352 175.900 -0.075 0.000 1.223 70 Y CA 1.536 59.533 58.100 -0.171 0.000 1.284 70 Y CB -1.794 36.740 38.460 0.124 0.000 1.367 70 Y HN 1.111 nan 8.280 nan 0.000 0.566 71 R N -0.932 119.477 120.500 -0.152 0.000 2.299 71 R HA -0.335 4.005 4.340 -0.000 0.000 0.153 71 R C 0.696 176.961 176.300 -0.058 0.000 0.885 71 R CA 2.328 58.365 56.100 -0.105 0.000 1.883 71 R CB -1.365 28.877 30.300 -0.097 0.000 0.864 71 R HN 0.504 nan 8.270 nan 0.000 0.666 72 D N -1.494 118.892 120.400 -0.022 0.000 2.369 72 D HA 0.108 4.748 4.640 -0.000 0.000 0.211 72 D C -0.437 175.691 176.300 -0.286 0.000 1.077 72 D CA 0.599 54.440 54.000 -0.265 0.000 0.842 72 D CB 0.090 40.604 40.800 -0.475 0.000 0.947 72 D HN 0.237 nan 8.370 nan 0.000 0.509 73 W N 1.967 123.345 121.300 0.131 0.000 2.361 73 W HA 0.375 5.034 4.660 -0.000 0.000 0.314 73 W C 0.306 176.943 176.519 0.196 0.000 1.041 73 W CA -0.757 56.717 57.345 0.214 0.000 1.241 73 W CB 1.231 30.845 29.460 0.258 0.000 1.279 73 W HN -0.531 nan 8.180 nan 0.000 0.436 74 K N 2.836 123.456 120.400 0.367 0.000 2.259 74 K HA 0.559 4.879 4.320 -0.000 0.000 0.249 74 K C -1.081 175.737 176.600 0.362 0.000 0.942 74 K CA -1.158 55.294 56.287 0.276 0.000 0.816 74 K CB 2.203 34.772 32.500 0.115 0.000 1.155 74 K HN 0.443 nan 8.250 nan 0.000 0.428 75 Y N -0.684 119.747 120.300 0.219 0.000 2.570 75 Y HA 0.650 5.200 4.550 -0.000 0.000 0.345 75 Y C -1.156 174.855 175.900 0.185 0.000 1.014 75 Y CA -1.145 57.078 58.100 0.206 0.000 1.063 75 Y CB 1.912 40.495 38.460 0.205 0.000 1.272 75 Y HN 0.435 nan 8.280 nan 0.000 0.477 76 Q N 2.592 122.527 119.800 0.225 0.000 2.263 76 Q HA 0.592 4.931 4.340 -0.000 0.000 0.262 76 Q C -2.224 173.959 176.000 0.305 0.000 0.984 76 Q CA -0.372 55.518 55.803 0.145 0.000 0.813 76 Q CB 1.674 30.460 28.738 0.081 0.000 1.299 76 Q HN 0.847 nan 8.270 nan 0.000 0.428 77 I N 3.646 124.453 120.570 0.395 0.000 2.448 77 I HA 0.474 4.644 4.170 -0.000 0.000 0.281 77 I C -0.851 175.530 176.117 0.441 0.000 1.027 77 I CA -0.798 60.766 61.300 0.440 0.000 1.111 77 I CB 1.524 39.809 38.000 0.474 0.000 1.236 77 I HN 0.426 nan 8.210 nan 0.000 0.452 78 N N 5.790 124.696 118.700 0.344 0.000 2.443 78 N HA 0.354 5.093 4.740 -0.000 0.000 0.269 78 N C -1.371 174.260 175.510 0.202 0.000 0.985 78 N CA -0.487 52.688 53.050 0.208 0.000 0.921 78 N CB 1.657 40.152 38.487 0.012 0.000 1.195 78 N HN 0.375 nan 8.380 nan 0.000 0.492 79 Y N 0.500 120.837 120.300 0.062 0.000 2.377 79 Y HA 0.245 4.795 4.550 -0.000 0.000 0.339 79 Y C -0.415 175.476 175.900 -0.015 0.000 1.011 79 Y CA -1.015 57.076 58.100 -0.014 0.000 1.093 79 Y CB 1.326 39.795 38.460 0.015 0.000 1.201 79 Y HN 0.367 nan 8.280 nan 0.000 0.455 80 D N 5.109 125.327 120.400 -0.304 0.000 2.428 80 D HA 0.193 4.833 4.640 -0.000 0.000 0.221 80 D C 0.505 176.756 176.300 -0.083 0.000 1.123 80 D CA 0.057 54.031 54.000 -0.043 0.000 0.869 80 D CB 0.636 41.438 40.800 0.004 0.000 1.032 80 D HN 0.689 nan 8.370 nan 0.000 0.506 81 L N 2.379 123.628 121.223 0.044 0.000 2.275 81 L HA -0.085 4.255 4.340 -0.000 0.000 0.215 81 L C 2.137 178.970 176.870 -0.061 0.000 1.119 81 L CA 0.819 55.657 54.840 -0.004 0.000 0.790 81 L CB -0.455 41.622 42.059 0.030 0.000 0.919 81 L HN 0.373 nan 8.230 nan 0.000 0.443 82 S N -0.993 114.704 115.700 -0.005 0.000 2.562 82 S HA -0.052 4.418 4.470 -0.000 0.000 0.221 82 S C 1.030 175.609 174.600 -0.035 0.000 0.975 82 S CA -0.268 57.960 58.200 0.046 0.000 0.918 82 S CB 0.076 63.371 63.200 0.159 0.000 0.772 82 S HN 0.391 nan 8.310 nan 0.000 0.531 83 R N 0.100 120.491 120.500 -0.183 0.000 3.776 83 R HA -0.142 4.198 4.340 -0.000 0.000 0.312 83 R C -0.258 176.039 176.300 -0.005 0.000 1.181 83 R CA 1.027 56.918 56.100 -0.350 0.000 0.836 83 R CB -3.277 26.741 30.300 -0.470 0.000 1.324 83 R HN 0.702 nan 8.270 nan 0.000 0.501 84 N N -0.638 118.106 118.700 0.074 0.000 2.353 84 N HA 0.130 4.870 4.740 -0.000 0.000 0.185 84 N C 0.006 175.603 175.510 0.145 0.000 1.098 84 N CA 0.488 53.605 53.050 0.111 0.000 0.872 84 N CB 0.894 39.450 38.487 0.115 0.000 0.970 84 N HN 0.067 nan 8.380 nan 0.000 0.467 85 V N -0.246 119.773 119.914 0.175 0.000 2.841 85 V HA 0.747 4.867 4.120 -0.000 0.000 0.310 85 V C 0.049 176.226 176.094 0.138 0.000 1.090 85 V CA 0.126 62.521 62.300 0.158 0.000 0.930 85 V CB 0.922 32.858 31.823 0.188 0.000 1.014 85 V HN 0.379 nan 8.190 nan 0.000 0.425 86 G N 5.105 113.940 108.800 0.058 0.000 2.681 86 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.220 86 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.220 86 G C -0.798 173.956 174.900 -0.245 0.000 1.353 86 G CA 0.309 45.357 45.100 -0.085 0.000 0.872 86 G HN 2.241 nan 8.290 nan 0.000 0.557 87 N N -2.115 116.206 118.700 -0.632 0.000 3.039 87 N HA 0.534 5.274 4.740 -0.000 0.000 0.257 87 N C -0.215 174.673 175.510 -1.037 0.000 1.497 87 N CA 0.082 52.672 53.050 -0.765 0.000 0.861 87 N CB 0.881 39.218 38.487 -0.251 0.000 1.479 87 N HN 0.478 nan 8.380 nan 0.000 0.547 88 D N -1.407 118.672 120.400 -0.535 0.000 2.319 88 D HA 0.276 4.916 4.640 -0.000 0.000 0.230 88 D C 0.127 176.357 176.300 -0.115 0.000 1.094 88 D CA 0.478 54.337 54.000 -0.235 0.000 0.856 88 D CB 0.169 41.027 40.800 0.097 0.000 0.915 88 D HN 0.454 nan 8.370 nan 0.000 0.517 89 S N -1.053 114.565 115.700 -0.136 0.000 2.517 89 S HA 0.205 4.675 4.470 -0.000 0.000 0.228 89 S C 1.847 176.421 174.600 -0.044 0.000 1.060 89 S CA 0.390 58.551 58.200 -0.064 0.000 0.937 89 S CB 0.298 63.468 63.200 -0.050 0.000 0.840 89 S HN 0.318 nan 8.310 nan 0.000 0.546 90 A N 0.825 123.606 122.820 -0.065 0.000 2.072 90 A HA 0.553 4.873 4.320 -0.000 0.000 0.216 90 A C 1.125 178.785 177.584 0.127 0.000 1.156 90 A CA 0.872 52.915 52.037 0.011 0.000 0.701 90 A CB -0.630 18.362 19.000 -0.013 0.000 0.816 90 A HN 0.951 nan 8.150 nan 0.000 0.458 91 G N -2.501 106.265 108.800 -0.056 0.000 2.617 91 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.686 91 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.686 91 G C -0.608 174.040 174.900 -0.421 0.000 1.214 91 G CA -0.567 44.459 45.100 -0.123 0.000 0.796 91 G HN 0.340 nan 8.290 nan 0.000 0.654 92 Y N 0.557 120.500 120.300 -0.596 0.000 2.930 92 Y HA 0.474 5.023 4.550 -0.000 0.000 0.386 92 Y C 0.823 176.067 175.900 -1.093 0.000 1.185 92 Y CA -0.461 57.156 58.100 -0.805 0.000 1.922 92 Y CB -0.284 37.717 38.460 -0.764 0.000 2.006 92 Y HN 0.370 nan 8.280 nan 0.000 0.431 93 F N 0.180 119.952 119.950 -0.296 0.000 2.420 93 F HA 0.130 4.657 4.527 -0.000 0.000 0.352 93 F C 1.388 177.068 175.800 -0.201 0.000 1.108 93 F CA -0.735 57.169 58.000 -0.160 0.000 1.162 93 F CB 0.998 39.995 39.000 -0.005 0.000 1.118 93 F HN 0.223 nan 8.300 nan 0.000 0.510 94 D N 1.314 121.654 120.400 -0.101 0.000 2.162 94 D HA -0.065 4.575 4.640 -0.000 0.000 0.203 94 D C 0.053 176.310 176.300 -0.071 0.000 0.967 94 D CA 1.037 54.942 54.000 -0.157 0.000 0.840 94 D CB 0.361 40.787 40.800 -0.623 0.000 0.972 94 D HN 0.617 nan 8.370 nan 0.000 0.482 95 E N -1.422 118.817 120.200 0.064 0.000 2.352 95 E HA 0.584 4.934 4.350 -0.000 0.000 0.280 95 E C -1.954 174.746 176.600 0.167 0.000 0.930 95 E CA -0.980 55.474 56.400 0.090 0.000 0.765 95 E CB 1.835 31.609 29.700 0.124 0.000 1.219 95 E HN 0.023 nan 8.360 nan 0.000 0.434 96 A N 2.622 125.460 122.820 0.031 0.000 2.768 96 A HA 0.529 4.849 4.320 -0.000 0.000 0.298 96 A C -1.114 176.505 177.584 0.059 0.000 1.159 96 A CA -0.265 51.760 52.037 -0.021 0.000 0.783 96 A CB 0.630 19.323 19.000 -0.513 0.000 1.333 96 A HN 0.488 nan 8.150 nan 0.000 0.412 97 S N 0.272 116.081 115.700 0.183 0.000 2.595 97 S HA 0.870 5.340 4.470 -0.000 0.000 0.281 97 S C -0.915 173.856 174.600 0.284 0.000 1.117 97 S CA -0.736 57.611 58.200 0.245 0.000 0.873 97 S CB 1.936 65.283 63.200 0.245 0.000 1.108 97 S HN 0.936 nan 8.310 nan 0.000 0.477 98 V N 1.720 121.836 119.914 0.336 0.000 2.540 98 V HA 0.652 4.772 4.120 -0.000 0.000 0.302 98 V C -0.435 175.920 176.094 0.434 0.000 1.035 98 V CA -0.401 62.137 62.300 0.398 0.000 0.873 98 V CB 1.925 33.984 31.823 0.393 0.000 0.992 98 V HN 1.073 nan 8.190 nan 0.000 0.428 99 T N 4.314 119.078 114.554 0.350 0.000 2.792 99 T HA 0.464 4.813 4.350 -0.000 0.000 0.280 99 T C -1.195 173.624 174.700 0.198 0.000 0.990 99 T CA -0.299 61.948 62.100 0.245 0.000 0.960 99 T CB 1.020 69.942 68.868 0.090 0.000 0.939 99 T HN 0.520 nan 8.240 nan 0.000 0.439 100 Y N 2.934 123.222 120.300 -0.019 0.000 2.328 100 Y HA 0.435 4.985 4.550 -0.000 0.000 0.337 100 Y C 1.224 176.956 175.900 -0.281 0.000 1.008 100 Y CA -0.830 57.018 58.100 -0.419 0.000 1.129 100 Y CB 1.198 39.275 38.460 -0.638 0.000 1.185 100 Y HN 0.718 nan 8.280 nan 0.000 0.476 101 T N 0.105 114.099 114.554 -0.933 0.000 3.085 101 T HA 0.188 4.538 4.350 -0.000 0.000 0.264 101 T C 1.676 175.879 174.700 -0.829 0.000 1.019 101 T CA 0.309 62.029 62.100 -0.634 0.000 0.910 101 T CB 0.040 68.696 68.868 -0.355 0.000 1.059 101 T HN 0.750 nan 8.240 nan 0.000 0.542 102 G N 1.453 109.241 108.800 -1.686 0.000 2.450 102 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.220 102 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.220 102 G C 0.700 175.217 174.900 -0.637 0.000 1.130 102 G CA 0.394 44.767 45.100 -1.211 0.000 0.760 102 G HN 0.569 nan 8.290 nan 0.000 0.557 103 F N 1.024 120.822 119.950 -0.253 0.000 2.731 103 F HA 0.258 4.785 4.527 -0.000 0.000 0.304 103 F C 1.145 176.887 175.800 -0.096 0.000 1.133 103 F CA -1.543 56.413 58.000 -0.074 0.000 1.380 103 F CB -0.917 38.094 39.000 0.018 0.000 1.079 103 F HN -0.026 nan 8.300 nan 0.000 0.550 104 N N 3.514 122.188 118.700 -0.044 0.000 1.935 104 N HA -0.156 4.584 4.740 -0.000 0.000 0.304 104 N C -1.246 174.267 175.510 0.005 0.000 1.286 104 N CA -0.134 52.890 53.050 -0.044 0.000 0.798 104 N CB 0.747 39.177 38.487 -0.096 0.000 1.028 104 N HN 0.083 nan 8.380 nan 0.000 0.494 105 P HA 0.031 nan 4.420 nan 0.000 0.245 105 P C -0.087 177.215 177.300 0.003 0.000 1.206 105 P CA 0.138 63.236 63.100 -0.002 0.000 0.781 105 P CB 0.340 32.040 31.700 0.001 0.000 0.994 106 V N 2.483 122.412 119.914 0.025 0.000 2.488 106 V HA 0.131 4.251 4.120 -0.000 0.000 0.277 106 V C 0.420 176.540 176.094 0.044 0.000 1.046 106 V CA -0.206 62.111 62.300 0.029 0.000 0.986 106 V CB 0.232 32.077 31.823 0.036 0.000 0.989 106 V HN 0.110 nan 8.190 nan 0.000 0.475 107 N N 5.005 123.710 118.700 0.007 0.000 2.405 107 N HA 0.605 5.345 4.740 -0.000 0.000 0.299 107 N C -0.946 174.560 175.510 -0.006 0.000 1.075 107 N CA -0.462 52.581 53.050 -0.011 0.000 0.884 107 N CB 2.461 40.928 38.487 -0.033 0.000 1.194 107 N HN 0.488 nan 8.380 nan 0.000 0.491 108 L N 1.314 122.558 121.223 0.034 0.000 2.325 108 L HA 0.461 4.800 4.340 -0.000 0.000 0.281 108 L C 0.255 177.041 176.870 -0.141 0.000 1.004 108 L CA -0.592 54.217 54.840 -0.052 0.000 0.823 108 L CB 1.675 43.825 42.059 0.150 0.000 1.236 108 L HN 0.272 nan 8.230 nan 0.000 0.415 109 K N 3.430 123.599 120.400 -0.385 0.000 2.292 109 K HA 0.659 4.979 4.320 -0.000 0.000 0.257 109 K C -1.602 174.734 176.600 -0.439 0.000 0.940 109 K CA -0.452 55.645 56.287 -0.318 0.000 0.811 109 K CB 1.309 33.530 32.500 -0.464 0.000 1.120 109 K HN 0.286 nan 8.250 nan 0.000 0.428 110 F N 1.932 121.965 119.950 0.140 0.000 2.532 110 F HA 0.622 5.148 4.527 -0.000 0.000 0.321 110 F C 0.902 176.881 175.800 0.298 0.000 1.089 110 F CA 0.077 58.225 58.000 0.246 0.000 0.926 110 F CB 2.357 41.471 39.000 0.191 0.000 1.168 110 F HN 0.859 nan 8.300 nan 0.000 0.459 111 G N 2.088 111.177 108.800 0.481 0.000 2.358 111 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.198 111 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.198 111 G C -1.435 173.552 174.900 0.146 0.000 1.220 111 G CA -1.120 44.130 45.100 0.251 0.000 1.187 111 G HN 0.748 nan 8.290 nan 0.000 0.544 112 R N 0.662 121.193 120.500 0.053 0.000 2.265 112 R HA 0.696 5.036 4.340 -0.000 0.000 0.328 112 R C -0.640 175.689 176.300 0.049 0.000 0.969 112 R CA -0.527 55.520 56.100 -0.089 0.000 0.832 112 R CB 0.132 30.294 30.300 -0.230 0.000 1.139 112 R HN 0.997 nan 8.270 nan 0.000 0.457 113 F N 0.994 120.960 119.950 0.026 0.000 2.693 113 F HA 0.403 4.929 4.527 -0.000 0.000 0.309 113 F C -1.696 173.947 175.800 -0.262 0.000 1.129 113 F CA -1.647 56.280 58.000 -0.122 0.000 0.948 113 F CB 0.593 39.598 39.000 0.009 0.000 1.315 113 F HN 0.188 nan 8.300 nan 0.000 0.447 114 Y N 1.172 121.546 120.300 0.124 0.000 2.465 114 Y HA 0.369 4.919 4.550 -0.000 0.000 0.331 114 Y C 1.196 177.087 175.900 -0.014 0.000 1.102 114 Y CA -0.279 57.784 58.100 -0.061 0.000 1.358 114 Y CB 0.402 38.845 38.460 -0.030 0.000 1.213 114 Y HN 0.750 nan 8.280 nan 0.000 0.525 115 T N -0.875 113.567 114.554 -0.186 0.000 2.926 115 T HA 0.013 4.363 4.350 -0.000 0.000 0.307 115 T C -0.236 174.493 174.700 0.048 0.000 1.059 115 T CA -0.881 61.153 62.100 -0.109 0.000 1.122 115 T CB 0.735 69.383 68.868 -0.366 0.000 0.972 115 T HN 0.532 nan 8.240 nan 0.000 0.545 116 D N 1.338 121.807 120.400 0.114 0.000 2.411 116 D HA 0.335 4.975 4.640 -0.000 0.000 0.225 116 D C -1.450 174.942 176.300 0.152 0.000 1.156 116 D CA -0.515 53.567 54.000 0.136 0.000 0.874 116 D CB -0.564 40.336 40.800 0.166 0.000 1.034 116 D HN 0.552 nan 8.370 nan 0.000 0.502 117 F N 3.023 122.941 119.950 -0.052 0.000 2.915 117 F HA 0.492 5.018 4.527 -0.000 0.000 0.350 117 F C -0.115 175.653 175.800 -0.054 0.000 1.248 117 F CA 0.117 58.078 58.000 -0.064 0.000 1.084 117 F CB 1.212 40.103 39.000 -0.181 0.000 1.391 117 F HN 0.487 nan 8.300 nan 0.000 0.548 118 G N 5.948 114.819 108.800 0.118 0.000 3.225 118 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.686 118 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.686 118 G C 0.015 175.070 174.900 0.258 0.000 1.105 118 G CA -0.380 44.900 45.100 0.299 0.000 0.831 118 G HN 0.968 nan 8.290 nan 0.000 0.578 119 L N 0.953 122.338 121.223 0.270 0.000 2.013 119 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 119 L C 2.645 179.651 176.870 0.227 0.000 1.073 119 L CA 2.673 57.644 54.840 0.218 0.000 0.753 119 L CB -0.085 42.076 42.059 0.170 0.000 0.890 119 L HN 0.919 nan 8.230 nan 0.000 0.432 120 E N -0.405 119.980 120.200 0.309 0.000 2.150 120 E HA -0.281 4.069 4.350 -0.000 0.000 0.193 120 E C 2.029 178.748 176.600 0.198 0.000 0.985 120 E CA 0.918 57.451 56.400 0.222 0.000 0.814 120 E CB 0.211 29.968 29.700 0.095 0.000 0.752 120 E HN 0.203 nan 8.360 nan 0.000 0.466 121 K N 0.468 121.015 120.400 0.244 0.000 2.103 121 K HA 0.016 4.336 4.320 -0.000 0.000 0.204 121 K C 1.693 178.277 176.600 -0.027 0.000 1.052 121 K CA 1.137 57.423 56.287 -0.002 0.000 0.945 121 K CB -0.272 32.061 32.500 -0.279 0.000 0.722 121 K HN 0.129 nan 8.250 nan 0.000 0.443 122 A N 0.028 122.870 122.820 0.037 0.000 1.933 122 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 122 A C 0.890 178.478 177.584 0.006 0.000 1.175 122 A CA 1.445 53.493 52.037 0.018 0.000 0.628 122 A CB -0.933 18.077 19.000 0.016 0.000 0.814 122 A HN 0.322 nan 8.150 nan 0.000 0.444 123 T N 1.623 116.201 114.554 0.041 0.000 2.867 123 T HA 0.245 4.595 4.350 -0.000 0.000 0.297 123 T C 0.466 175.190 174.700 0.040 0.000 0.989 123 T CA 0.455 62.595 62.100 0.067 0.000 1.159 123 T CB 0.396 69.338 68.868 0.123 0.000 0.928 123 T HN 0.411 nan 8.240 nan 0.000 0.538 124 S N 2.708 118.447 115.700 0.065 0.000 2.558 124 S HA -0.025 4.445 4.470 -0.000 0.000 0.293 124 S C 1.750 176.302 174.600 -0.080 0.000 1.292 124 S CA -0.111 58.094 58.200 0.008 0.000 1.063 124 S CB 0.215 63.443 63.200 0.046 0.000 0.831 124 S HN 0.848 nan 8.310 nan 0.000 0.499 125 S N 4.410 120.032 115.700 -0.129 0.000 2.469 125 S HA -0.086 4.384 4.470 -0.000 0.000 0.238 125 S C 1.468 175.875 174.600 -0.322 0.000 0.998 125 S CA 0.806 58.897 58.200 -0.182 0.000 0.957 125 S CB -0.291 62.817 63.200 -0.153 0.000 0.764 125 S HN 0.824 nan 8.310 nan 0.000 0.514 126 K N 0.127 120.211 120.400 -0.527 0.000 2.097 126 K HA -0.061 4.259 4.320 -0.000 0.000 0.206 126 K C 0.944 176.990 176.600 -0.923 0.000 1.049 126 K CA 1.637 57.323 56.287 -1.002 0.000 0.933 126 K CB -0.193 31.328 32.500 -1.631 0.000 0.717 126 K HN 0.689 nan 8.250 nan 0.000 0.442 127 W N 0.248 121.523 121.300 -0.042 0.000 2.714 127 W HA 0.206 4.866 4.660 -0.000 0.000 0.353 127 W C -0.238 176.253 176.519 -0.047 0.000 0.999 127 W CA -0.779 56.558 57.345 -0.014 0.000 1.629 127 W CB 0.450 29.913 29.460 0.005 0.000 1.106 127 W HN -0.332 nan 8.180 nan 0.000 0.545 128 V N 2.377 122.322 119.914 0.050 0.000 2.584 128 V HA -0.162 3.958 4.120 -0.000 0.000 0.303 128 V C 1.403 177.424 176.094 -0.122 0.000 1.035 128 V CA 1.467 63.739 62.300 -0.047 0.000 1.172 128 V CB 0.577 32.342 31.823 -0.097 0.000 0.896 128 V HN 0.235 nan 8.190 nan 0.000 0.486 129 T N 3.811 118.230 114.554 -0.225 0.000 2.684 129 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 129 T C 0.946 175.208 174.700 -0.731 0.000 1.036 129 T CA 1.408 63.253 62.100 -0.425 0.000 1.148 129 T CB -0.017 68.519 68.868 -0.554 0.000 0.863 129 T HN 0.882 nan 8.240 nan 0.000 0.436 130 A N 0.466 122.853 122.820 -0.721 0.000 2.286 130 A HA 0.607 4.927 4.320 -0.000 0.000 0.286 130 A C 1.341 178.818 177.584 -0.179 0.000 1.097 130 A CA -0.558 51.182 52.037 -0.495 0.000 0.821 130 A CB 0.320 19.153 19.000 -0.278 0.000 1.076 130 A HN 0.385 nan 8.150 nan 0.000 0.490 131 L N -0.306 120.902 121.223 -0.024 0.000 2.201 131 L HA -0.013 4.327 4.340 -0.000 0.000 0.212 131 L C 0.373 177.212 176.870 -0.051 0.000 1.105 131 L CA 0.989 55.810 54.840 -0.031 0.000 0.775 131 L CB -0.202 41.864 42.059 0.011 0.000 0.913 131 L HN 0.577 nan 8.230 nan 0.000 0.440 132 E N -0.398 119.766 120.200 -0.060 0.000 2.266 132 E HA 0.390 4.740 4.350 -0.000 0.000 0.268 132 E C -0.591 175.931 176.600 -0.131 0.000 0.879 132 E CA -0.602 55.750 56.400 -0.080 0.000 0.762 132 E CB 1.855 31.512 29.700 -0.072 0.000 1.199 132 E HN 0.050 nan 8.360 nan 0.000 0.422 133 R N 1.444 121.866 120.500 -0.130 0.000 2.774 133 R HA 0.119 4.459 4.340 -0.000 0.000 0.269 133 R C 0.973 177.096 176.300 -0.294 0.000 1.068 133 R CA -0.341 55.645 56.100 -0.190 0.000 1.180 133 R CB 0.343 30.622 30.300 -0.035 0.000 1.077 133 R HN 0.604 nan 8.270 nan 0.000 0.513 134 N N 1.540 119.914 118.700 -0.542 0.000 2.340 134 N HA -0.090 4.650 4.740 -0.000 0.000 0.236 134 N C 0.858 176.114 175.510 -0.424 0.000 1.296 134 N CA 0.033 52.730 53.050 -0.588 0.000 0.896 134 N CB 0.689 38.615 38.487 -0.934 0.000 1.127 134 N HN 0.484 nan 8.380 nan 0.000 0.442 135 L N 0.001 121.033 121.223 -0.317 0.000 2.191 135 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 135 L C 2.674 179.411 176.870 -0.222 0.000 1.103 135 L CA 1.621 56.311 54.840 -0.251 0.000 0.769 135 L CB -0.761 41.146 42.059 -0.253 0.000 0.908 135 L HN 0.814 nan 8.230 nan 0.000 0.438 136 T N -3.351 111.067 114.554 -0.225 0.000 2.881 136 T HA -0.218 4.132 4.350 -0.000 0.000 0.270 136 T C 1.749 176.433 174.700 -0.026 0.000 1.068 136 T CA 0.913 62.936 62.100 -0.128 0.000 1.131 136 T CB -0.413 68.421 68.868 -0.056 0.000 0.871 136 T HN 0.192 nan 8.240 nan 0.000 0.479 137 Y N 2.203 122.433 120.300 -0.117 0.000 2.352 137 Y HA 0.086 4.636 4.550 -0.000 0.000 0.292 137 Y C 2.169 177.966 175.900 -0.171 0.000 1.136 137 Y CA -0.098 57.907 58.100 -0.158 0.000 1.227 137 Y CB -0.975 37.404 38.460 -0.135 0.000 0.991 137 Y HN 0.293 nan 8.280 nan 0.000 0.545 138 D N 0.215 120.599 120.400 -0.027 0.000 2.264 138 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 138 D C 1.935 178.167 176.300 -0.113 0.000 0.966 138 D CA 1.222 55.167 54.000 -0.092 0.000 0.864 138 D CB -0.288 40.416 40.800 -0.160 0.000 0.933 138 D HN 0.574 nan 8.370 nan 0.000 0.499 139 I N -3.404 117.097 120.570 -0.116 0.000 3.883 139 I HA 0.391 4.560 4.170 -0.000 0.000 0.326 139 I C 0.650 176.710 176.117 -0.095 0.000 1.283 139 I CA -0.045 61.192 61.300 -0.105 0.000 1.161 139 I CB 0.464 38.401 38.000 -0.104 0.000 1.012 139 I HN -0.154 nan 8.210 nan 0.000 0.421 140 A N 1.899 124.632 122.820 -0.146 0.000 3.339 140 A HA 0.246 4.566 4.320 -0.000 0.000 0.219 140 A C 0.390 177.729 177.584 -0.409 0.000 0.974 140 A CA -0.113 51.745 52.037 -0.299 0.000 1.050 140 A CB -0.530 18.196 19.000 -0.456 0.000 1.271 140 A HN 0.408 nan 8.150 nan 0.000 0.565 141 D N -0.172 120.125 120.400 -0.172 0.000 2.310 141 D HA -0.202 4.437 4.640 -0.000 0.000 0.212 141 D C 1.489 177.702 176.300 -0.145 0.000 0.965 141 D CA 1.058 54.970 54.000 -0.146 0.000 0.879 141 D CB -0.390 40.382 40.800 -0.047 0.000 0.921 141 D HN 0.773 nan 8.370 nan 0.000 0.510 142 W N 1.713 122.899 121.300 -0.191 0.000 2.519 142 W HA -0.020 4.640 4.660 -0.001 0.000 0.266 142 W C 1.519 177.888 176.519 -0.250 0.000 1.253 142 W CA 1.034 58.264 57.345 -0.190 0.000 1.274 142 W CB -0.956 28.397 29.460 -0.179 0.000 1.114 142 W HN 0.011 nan 8.180 nan 0.000 0.596 143 V N 1.941 121.229 119.914 -1.044 0.000 2.626 143 V HA -0.184 3.936 4.120 -0.000 0.000 0.252 143 V C 1.059 176.811 176.094 -0.571 0.000 1.067 143 V CA 2.318 63.934 62.300 -1.139 0.000 1.081 143 V CB -1.220 29.581 31.823 -1.703 0.000 0.686 143 V HN 0.298 nan 8.190 nan 0.000 0.468 144 N N 0.265 118.693 118.700 -0.453 0.000 2.307 144 N HA 0.135 4.875 4.740 -0.000 0.000 0.248 144 N C -0.336 175.100 175.510 -0.124 0.000 1.322 144 N CA 0.021 52.907 53.050 -0.274 0.000 0.861 144 N CB -0.385 37.908 38.487 -0.323 0.000 1.303 144 N HN 0.732 nan 8.380 nan 0.000 0.498 145 D N 0.169 120.505 120.400 -0.107 0.000 2.411 145 D HA 0.142 4.782 4.640 -0.000 0.000 0.251 145 D C 0.461 176.729 176.300 -0.054 0.000 1.201 145 D CA -0.454 53.578 54.000 0.053 0.000 0.996 145 D CB 0.486 41.312 40.800 0.044 0.000 1.101 145 D HN 0.163 nan 8.370 nan 0.000 0.504 146 N N -0.413 118.254 118.700 -0.054 0.000 2.338 146 N HA 0.049 4.789 4.740 -0.000 0.000 0.251 146 N C -0.869 174.680 175.510 0.065 0.000 1.199 146 N CA -0.499 52.433 53.050 -0.196 0.000 0.879 146 N CB 0.078 38.163 38.487 -0.670 0.000 1.159 146 N HN 0.188 nan 8.380 nan 0.000 0.514 147 V N 0.379 120.381 119.914 0.146 0.000 2.071 147 V HA 0.701 4.821 4.120 -0.000 0.000 0.254 147 V C 0.976 177.138 176.094 0.114 0.000 1.456 147 V CA 0.241 62.602 62.300 0.101 0.000 1.383 147 V CB -0.814 31.049 31.823 0.066 0.000 1.433 147 V HN 0.656 nan 8.190 nan 0.000 0.499 148 G N 2.078 110.856 108.800 -0.037 0.000 2.344 148 G HA2 0.427 4.387 3.960 -0.000 0.000 0.282 148 G HA3 0.427 4.387 3.960 -0.000 0.000 0.282 148 G C -0.890 173.453 174.900 -0.929 0.000 1.281 148 G CA -0.212 44.582 45.100 -0.509 0.000 0.877 148 G HN 0.261 nan 8.290 nan 0.000 0.494 149 T N -0.560 113.202 114.554 -1.319 0.000 2.952 149 T HA 0.828 5.178 4.350 -0.000 0.000 0.305 149 T C 0.197 174.338 174.700 -0.932 0.000 1.064 149 T CA 0.251 61.814 62.100 -0.895 0.000 1.008 149 T CB 1.684 70.306 68.868 -0.410 0.000 1.078 149 T HN 1.940 nan 8.240 nan 0.000 0.459 150 G N 1.055 109.595 108.800 -0.434 0.000 2.664 150 G HA2 0.740 4.700 3.960 -0.000 0.000 0.303 150 G HA3 0.740 4.700 3.960 -0.000 0.000 0.303 150 G C -2.069 173.023 174.900 0.321 0.000 1.243 150 G CA -0.701 44.385 45.100 -0.024 0.000 0.826 150 G HN 0.750 nan 8.290 nan 0.000 0.498 151 I N 0.503 121.267 120.570 0.324 0.000 2.569 151 I HA 0.466 4.635 4.170 -0.000 0.000 0.290 151 I C -0.668 175.520 176.117 0.118 0.000 1.088 151 I CA -0.501 60.863 61.300 0.106 0.000 1.047 151 I CB 2.481 40.455 38.000 -0.044 0.000 1.237 151 I HN 0.490 nan 8.210 nan 0.000 0.421 152 Q N 4.644 124.378 119.800 -0.110 0.000 2.356 152 Q HA 0.832 5.172 4.340 -0.000 0.000 0.270 152 Q C -1.635 174.244 176.000 -0.202 0.000 1.058 152 Q CA -0.733 54.994 55.803 -0.127 0.000 0.802 152 Q CB 2.652 31.210 28.738 -0.299 0.000 1.303 152 Q HN 0.815 nan 8.270 nan 0.000 0.444 153 A N 2.174 124.921 122.820 -0.120 0.000 2.337 153 A HA 0.836 5.156 4.320 -0.000 0.000 0.329 153 A C -0.938 176.570 177.584 -0.126 0.000 1.146 153 A CA -0.258 51.713 52.037 -0.111 0.000 0.800 153 A CB 1.430 20.383 19.000 -0.079 0.000 1.220 153 A HN 0.798 nan 8.150 nan 0.000 0.472 154 S N 0.218 115.844 115.700 -0.124 0.000 2.570 154 S HA 0.848 5.318 4.470 -0.000 0.000 0.270 154 S C -0.743 173.773 174.600 -0.140 0.000 1.149 154 S CA -0.318 57.761 58.200 -0.200 0.000 0.837 154 S CB 1.567 64.709 63.200 -0.097 0.000 1.124 154 S HN 1.762 nan 8.310 nan 0.000 0.465 155 S N 0.574 116.126 115.700 -0.247 0.000 2.548 155 S HA 0.514 4.983 4.470 -0.000 0.000 0.278 155 S C -1.196 173.380 174.600 -0.041 0.000 1.150 155 S CA -0.580 57.568 58.200 -0.087 0.000 0.907 155 S CB 1.328 64.477 63.200 -0.085 0.000 1.108 155 S HN 0.981 nan 8.310 nan 0.000 0.459 156 V N 4.060 124.043 119.914 0.114 0.000 2.637 156 V HA 0.355 4.475 4.120 -0.000 0.000 0.296 156 V C -0.101 176.011 176.094 0.030 0.000 1.046 156 V CA -0.051 62.319 62.300 0.116 0.000 1.066 156 V CB 1.222 33.087 31.823 0.070 0.000 0.968 156 V HN 0.652 nan 8.190 nan 0.000 0.483 157 V N 3.899 123.829 119.914 0.027 0.000 2.444 157 V HA 0.657 4.777 4.120 -0.000 0.000 0.294 157 V C 0.925 177.041 176.094 0.036 0.000 1.022 157 V CA 0.242 62.551 62.300 0.015 0.000 0.850 157 V CB 0.954 32.775 31.823 -0.002 0.000 0.992 157 V HN 1.151 nan 8.190 nan 0.000 0.426 158 G N 3.595 112.413 108.800 0.029 0.000 2.233 158 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.270 158 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.270 158 G C 1.227 176.158 174.900 0.053 0.000 1.011 158 G CA 0.789 45.914 45.100 0.043 0.000 0.762 158 G HN 2.358 nan 8.290 nan 0.000 0.511 159 G N -1.644 107.173 108.800 0.027 0.000 2.175 159 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.265 159 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.265 159 G C 0.834 175.732 174.900 -0.003 0.000 0.979 159 G CA 1.349 46.454 45.100 0.008 0.000 0.663 159 G HN 1.158 nan 8.290 nan 0.000 0.533 160 M N -0.806 118.815 119.600 0.035 0.000 2.241 160 M HA 0.511 4.991 4.480 -0.000 0.000 0.374 160 M C 0.465 176.818 176.300 0.089 0.000 0.922 160 M CA 0.761 56.103 55.300 0.070 0.000 1.031 160 M CB 1.272 33.978 32.600 0.177 0.000 1.864 160 M HN 0.723 nan 8.290 nan 0.000 0.636 161 A N 0.430 123.310 122.820 0.099 0.000 2.587 161 A HA 0.799 5.119 4.320 -0.000 0.000 0.293 161 A C -2.134 175.544 177.584 0.157 0.000 1.087 161 A CA -0.452 51.679 52.037 0.156 0.000 0.692 161 A CB 1.700 20.820 19.000 0.201 0.000 1.291 161 A HN 0.195 nan 8.150 nan 0.000 0.407 162 F N 0.957 120.902 119.950 -0.009 0.000 2.547 162 F HA 0.776 5.303 4.527 -0.000 0.000 0.316 162 F C -1.585 174.208 175.800 -0.012 0.000 1.121 162 F CA -0.865 57.119 58.000 -0.027 0.000 0.911 162 F CB 1.471 40.444 39.000 -0.045 0.000 1.179 162 F HN 0.494 nan 8.300 nan 0.000 0.443 163 L N 5.239 125.972 121.223 -0.818 0.000 2.386 163 L HA 0.721 5.060 4.340 -0.000 0.000 0.271 163 L C -0.828 175.526 176.870 -0.861 0.000 0.993 163 L CA -0.727 53.745 54.840 -0.613 0.000 0.819 163 L CB 2.297 44.178 42.059 -0.296 0.000 1.294 163 L HN 0.746 nan 8.230 nan 0.000 0.414 164 S N 0.923 116.315 115.700 -0.515 0.000 2.569 164 S HA 0.970 5.440 4.470 -0.000 0.000 0.280 164 S C -0.647 173.887 174.600 -0.109 0.000 1.111 164 S CA -0.609 57.406 58.200 -0.308 0.000 0.887 164 S CB 2.404 65.500 63.200 -0.174 0.000 1.095 164 S HN 0.846 nan 8.310 nan 0.000 0.476 165 G N 0.362 109.130 108.800 -0.054 0.000 2.718 165 G HA2 0.721 4.681 3.960 -0.000 0.000 0.295 165 G HA3 0.721 4.681 3.960 -0.000 0.000 0.295 165 G C -1.040 173.895 174.900 0.059 0.000 1.421 165 G CA -0.380 44.736 45.100 0.025 0.000 0.902 165 G HN 1.626 nan 8.290 nan 0.000 0.501 166 S N -1.416 114.355 115.700 0.119 0.000 2.579 166 S HA 0.785 5.255 4.470 -0.000 0.000 0.272 166 S C -1.538 173.144 174.600 0.138 0.000 1.141 166 S CA -0.853 57.440 58.200 0.155 0.000 0.843 166 S CB 1.902 65.255 63.200 0.255 0.000 1.122 166 S HN 1.652 nan 8.310 nan 0.000 0.468 167 V N 2.197 122.173 119.914 0.104 0.000 2.604 167 V HA 0.855 4.975 4.120 -0.000 0.000 0.305 167 V C -1.977 174.153 176.094 0.060 0.000 1.043 167 V CA -0.748 61.502 62.300 -0.084 0.000 0.888 167 V CB 1.471 33.216 31.823 -0.131 0.000 0.995 167 V HN 0.897 nan 8.190 nan 0.000 0.429 168 F N 4.582 124.384 119.950 -0.246 0.000 2.539 168 F HA 0.527 5.054 4.527 -0.000 0.000 0.318 168 F C 0.198 175.882 175.800 -0.193 0.000 1.135 168 F CA -0.361 57.520 58.000 -0.197 0.000 0.915 168 F CB 2.261 41.145 39.000 -0.192 0.000 1.176 168 F HN 0.473 nan 8.300 nan 0.000 0.440 169 S N 5.240 120.690 115.700 -0.416 0.000 2.416 169 S HA 0.209 4.679 4.470 -0.000 0.000 0.302 169 S C -0.061 174.313 174.600 -0.377 0.000 1.120 169 S CA -0.446 57.559 58.200 -0.325 0.000 1.067 169 S CB -0.314 62.717 63.200 -0.282 0.000 1.057 169 S HN 0.677 nan 8.310 nan 0.000 0.518 170 E N 3.340 123.437 120.200 -0.172 0.000 2.390 170 E HA 0.077 4.427 4.350 -0.000 0.000 0.261 170 E C 0.162 176.691 176.600 -0.118 0.000 1.076 170 E CA -0.394 55.951 56.400 -0.092 0.000 0.905 170 E CB 0.327 30.004 29.700 -0.037 0.000 0.984 170 E HN 0.596 nan 8.360 nan 0.000 0.427 171 N N 2.328 120.976 118.700 -0.087 0.000 2.441 171 N HA 0.033 4.773 4.740 -0.000 0.000 0.225 171 N C -0.959 174.516 175.510 -0.059 0.000 1.208 171 N CA 0.253 53.257 53.050 -0.077 0.000 0.847 171 N CB -0.150 38.298 38.487 -0.065 0.000 1.121 171 N HN 0.265 nan 8.380 nan 0.000 0.479 172 N N 0.774 119.434 118.700 -0.066 0.000 2.321 172 N HA 0.267 5.007 4.740 -0.000 0.000 0.299 172 N C -0.732 174.742 175.510 -0.059 0.000 1.048 172 N CA -0.405 52.608 53.050 -0.061 0.000 0.836 172 N CB 1.288 39.727 38.487 -0.080 0.000 1.269 172 N HN -0.023 nan 8.380 nan 0.000 0.486 173 N N 0.579 119.252 118.700 -0.045 0.000 2.370 173 N HA 0.201 4.941 4.740 -0.000 0.000 0.303 173 N C -0.489 175.004 175.510 -0.029 0.000 1.103 173 N CA -0.475 52.552 53.050 -0.038 0.000 0.848 173 N CB 1.463 39.932 38.487 -0.031 0.000 1.235 173 N HN 0.552 nan 8.380 nan 0.000 0.496 174 D N -1.384 119.001 120.400 -0.025 0.000 2.414 174 D HA 0.041 4.681 4.640 -0.000 0.000 0.259 174 D C 1.164 177.457 176.300 -0.012 0.000 1.269 174 D CA -0.180 53.811 54.000 -0.015 0.000 1.028 174 D CB -0.177 40.617 40.800 -0.010 0.000 1.093 174 D HN 0.537 nan 8.370 nan 0.000 0.545 175 T N -3.290 111.259 114.554 -0.008 0.000 2.929 175 T HA -0.149 4.201 4.350 -0.000 0.000 0.271 175 T C 0.841 175.536 174.700 -0.008 0.000 1.085 175 T CA 1.095 63.191 62.100 -0.008 0.000 1.125 175 T CB -0.300 68.564 68.868 -0.007 0.000 0.874 175 T HN 0.324 nan 8.240 nan 0.000 0.494 176 D N 1.216 121.612 120.400 -0.007 0.000 2.340 176 D HA 0.231 4.871 4.640 -0.000 0.000 0.220 176 D C 1.672 177.965 176.300 -0.011 0.000 1.039 176 D CA 0.815 54.811 54.000 -0.007 0.000 0.866 176 D CB -0.207 40.591 40.800 -0.004 0.000 0.913 176 D HN 0.635 nan 8.370 nan 0.000 0.523 177 G N 1.612 110.404 108.800 -0.014 0.000 2.136 177 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.242 177 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.242 177 G C -0.139 174.747 174.900 -0.023 0.000 0.989 177 G CA 0.022 45.111 45.100 -0.019 0.000 0.682 177 G HN 0.305 nan 8.290 nan 0.000 0.522 178 D N 1.165 121.553 120.400 -0.020 0.000 2.232 178 D HA 0.541 5.181 4.640 -0.000 0.000 0.242 178 D C 1.054 177.336 176.300 -0.030 0.000 1.093 178 D CA 0.455 54.443 54.000 -0.021 0.000 0.845 178 D CB 0.958 41.753 40.800 -0.009 0.000 1.124 178 D HN 0.460 nan 8.370 nan 0.000 0.467 179 S N 1.923 117.597 115.700 -0.043 0.000 2.562 179 S HA 0.161 4.631 4.470 -0.000 0.000 0.281 179 S C 0.380 174.946 174.600 -0.057 0.000 1.333 179 S CA -0.966 57.197 58.200 -0.061 0.000 1.052 179 S CB 0.841 63.988 63.200 -0.088 0.000 0.884 179 S HN 0.275 nan 8.310 nan 0.000 0.506 180 V N 3.801 123.671 119.914 -0.072 0.000 2.599 180 V HA 0.099 4.218 4.120 -0.000 0.000 0.300 180 V C 0.471 176.513 176.094 -0.086 0.000 1.034 180 V CA 0.159 62.409 62.300 -0.085 0.000 1.115 180 V CB -0.113 31.631 31.823 -0.131 0.000 0.934 180 V HN 0.752 nan 8.190 nan 0.000 0.485 181 K N 5.595 125.958 120.400 -0.061 0.000 2.240 181 K HA 0.420 4.739 4.320 -0.000 0.000 0.271 181 K C -0.162 176.354 176.600 -0.141 0.000 1.018 181 K CA -0.475 55.745 56.287 -0.111 0.000 0.874 181 K CB 1.468 33.930 32.500 -0.063 0.000 1.098 181 K HN 0.584 nan 8.250 nan 0.000 0.458 182 R N 3.151 123.554 120.500 -0.162 0.000 2.346 182 R HA 0.282 4.622 4.340 -0.000 0.000 0.311 182 R C -1.029 175.166 176.300 -0.175 0.000 0.983 182 R CA -0.443 55.639 56.100 -0.030 0.000 0.880 182 R CB 0.568 30.951 30.300 0.139 0.000 1.100 182 R HN 0.456 nan 8.270 nan 0.000 0.453 183 Y N 2.580 122.995 120.300 0.192 0.000 2.352 183 Y HA 0.383 4.933 4.550 0.000 0.000 0.339 183 Y C 0.211 176.189 175.900 0.129 0.000 0.992 183 Y CA -0.693 57.514 58.100 0.179 0.000 1.100 183 Y CB 1.901 40.491 38.460 0.218 0.000 1.192 183 Y HN 0.459 nan 8.280 nan 0.000 0.458 184 N N 3.810 122.645 118.700 0.225 0.000 2.238 184 N HA 0.636 5.376 4.740 -0.000 0.000 0.302 184 N C -1.629 173.974 175.510 0.155 0.000 1.072 184 N CA -0.658 52.481 53.050 0.149 0.000 0.792 184 N CB 2.638 41.182 38.487 0.095 0.000 1.425 184 N HN 0.490 nan 8.380 nan 0.000 0.478 185 L N 1.221 122.526 121.223 0.138 0.000 2.422 185 L HA 0.568 4.908 4.340 -0.000 0.000 0.264 185 L C -0.437 176.462 176.870 0.048 0.000 0.984 185 L CA -0.624 54.272 54.840 0.092 0.000 0.819 185 L CB 2.810 44.934 42.059 0.107 0.000 1.330 185 L HN 0.378 nan 8.230 nan 0.000 0.410 186 R N 1.289 121.797 120.500 0.012 0.000 2.548 186 R HA 0.713 5.053 4.340 -0.000 0.000 0.280 186 R C -1.262 175.032 176.300 -0.009 0.000 1.061 186 R CA -0.492 55.609 56.100 0.002 0.000 0.915 186 R CB 2.236 32.557 30.300 0.035 0.000 1.210 186 R HN 0.755 nan 8.270 nan 0.000 0.442 187 G N 2.275 111.089 108.800 0.022 0.000 2.666 187 G HA2 0.538 4.498 3.960 -0.000 0.000 0.303 187 G HA3 0.538 4.498 3.960 -0.000 0.000 0.303 187 G C -1.588 173.351 174.900 0.065 0.000 1.412 187 G CA -0.354 44.759 45.100 0.022 0.000 0.979 187 G HN 0.351 nan 8.290 nan 0.000 0.507 188 V N 2.720 122.687 119.914 0.087 0.000 2.531 188 V HA 0.470 4.590 4.120 -0.000 0.000 0.301 188 V C -1.142 175.017 176.094 0.108 0.000 1.034 188 V CA -0.852 61.467 62.300 0.031 0.000 0.865 188 V CB 1.679 33.465 31.823 -0.062 0.000 0.995 188 V HN 0.694 nan 8.190 nan 0.000 0.424 189 F N 4.833 124.738 119.950 -0.076 0.000 2.391 189 F HA 0.747 5.274 4.527 -0.000 0.000 0.359 189 F C 0.334 176.103 175.800 -0.052 0.000 1.122 189 F CA -1.154 56.825 58.000 -0.035 0.000 1.120 189 F CB 1.106 40.100 39.000 -0.010 0.000 1.142 189 F HN 0.529 nan 8.300 nan 0.000 0.483 190 A N 9.038 131.644 122.820 -0.356 0.000 3.082 190 A HA 0.435 4.755 4.320 -0.000 0.000 0.328 190 A C -2.199 175.198 177.584 -0.310 0.000 1.089 190 A CA -1.039 50.804 52.037 -0.322 0.000 0.802 190 A CB 0.043 18.990 19.000 -0.088 0.000 1.138 190 A HN 0.525 nan 8.150 nan 0.000 0.474 191 P HA -0.033 nan 4.420 nan 0.000 0.223 191 P C 0.109 177.305 177.300 -0.173 0.000 1.151 191 P CA 0.897 63.769 63.100 -0.380 0.000 0.787 191 P CB 0.249 31.655 31.700 -0.489 0.000 0.788 192 L N 0.498 121.595 121.223 -0.211 0.000 2.349 192 L HA 0.374 4.714 4.340 -0.000 0.000 0.278 192 L C 0.137 176.826 176.870 -0.301 0.000 0.996 192 L CA -0.757 53.912 54.840 -0.285 0.000 0.825 192 L CB 1.409 43.340 42.059 -0.214 0.000 1.243 192 L HN 0.023 nan 8.230 nan 0.000 0.412 193 H N -0.664 118.281 119.070 -0.208 0.000 3.074 193 H HA 0.464 5.020 4.556 -0.000 0.000 0.227 193 H C -0.888 174.413 175.328 -0.046 0.000 1.365 193 H CA -0.670 55.249 56.048 -0.215 0.000 1.078 193 H CB 0.191 29.957 29.762 0.008 0.000 2.347 193 H HN 0.272 nan 8.280 nan 0.000 0.567 194 E N 1.277 121.382 120.200 -0.159 0.000 2.277 194 E HA 0.344 4.694 4.350 -0.000 0.000 0.266 194 E C -2.753 173.820 176.600 -0.044 0.000 0.901 194 E CA -2.725 53.638 56.400 -0.062 0.000 0.782 194 E CB 1.651 31.278 29.700 -0.122 0.000 1.228 194 E HN 0.144 nan 8.360 nan 0.000 0.424 195 P HA 0.003 nan 4.420 nan 0.000 0.260 195 P C 0.667 177.947 177.300 -0.033 0.000 1.172 195 P CA 1.207 64.314 63.100 0.011 0.000 0.760 195 P CB 0.187 31.878 31.700 -0.015 0.000 0.773 196 G N 2.405 111.190 108.800 -0.025 0.000 2.168 196 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.263 196 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.263 196 G C 0.364 175.181 174.900 -0.139 0.000 0.977 196 G CA 0.146 45.203 45.100 -0.072 0.000 0.659 196 G HN 0.657 nan 8.290 nan 0.000 0.533 197 N N -0.644 117.961 118.700 -0.159 0.000 2.716 197 N HA 0.452 5.192 4.740 -0.000 0.000 0.245 197 N C -0.934 174.424 175.510 -0.254 0.000 1.495 197 N CA -0.090 52.835 53.050 -0.207 0.000 0.759 197 N CB 1.153 39.541 38.487 -0.166 0.000 1.261 197 N HN 0.225 nan 8.380 nan 0.000 0.515 198 V N 1.273 121.011 119.914 -0.293 0.000 2.588 198 V HA 0.607 4.727 4.120 -0.000 0.000 0.304 198 V C -0.442 175.539 176.094 -0.188 0.000 1.042 198 V CA -0.769 61.323 62.300 -0.347 0.000 0.877 198 V CB 2.009 33.557 31.823 -0.458 0.000 0.996 198 V HN 0.089 nan 8.190 nan 0.000 0.425 199 V N 4.520 124.348 119.914 -0.143 0.000 2.482 199 V HA 0.499 4.618 4.120 -0.000 0.000 0.295 199 V C -0.842 175.242 176.094 -0.018 0.000 1.026 199 V CA -0.491 61.826 62.300 0.029 0.000 0.856 199 V CB 1.603 33.454 31.823 0.046 0.000 1.001 199 V HN 0.936 nan 8.190 nan 0.000 0.424 200 H N 6.309 125.365 119.070 -0.024 0.000 2.823 200 H HA 0.532 5.088 4.556 -0.000 0.000 0.332 200 H C -2.097 173.283 175.328 0.087 0.000 0.980 200 H CA -0.601 55.446 56.048 -0.001 0.000 1.286 200 H CB 2.037 31.800 29.762 0.002 0.000 1.541 200 H HN 0.542 nan 8.280 nan 0.000 0.521 201 L N 4.842 126.109 121.223 0.074 0.000 2.376 201 L HA 0.647 4.987 4.340 -0.000 0.000 0.275 201 L C -0.801 176.115 176.870 0.076 0.000 0.987 201 L CA -0.290 54.648 54.840 0.164 0.000 0.828 201 L CB 1.272 43.439 42.059 0.181 0.000 1.249 201 L HN 0.840 nan 8.230 nan 0.000 0.409 202 G N 4.362 113.250 108.800 0.147 0.000 2.524 202 G HA2 0.610 4.570 3.960 -0.000 0.000 0.310 202 G HA3 0.610 4.570 3.960 -0.000 0.000 0.310 202 G C -2.160 172.813 174.900 0.122 0.000 1.279 202 G CA -0.488 44.681 45.100 0.115 0.000 0.974 202 G HN 0.465 nan 8.290 nan 0.000 0.484 203 L N 0.930 122.212 121.223 0.098 0.000 2.386 203 L HA 0.702 5.042 4.340 -0.000 0.000 0.271 203 L C -0.389 176.513 176.870 0.054 0.000 0.993 203 L CA -0.564 54.350 54.840 0.123 0.000 0.819 203 L CB 2.021 44.187 42.059 0.178 0.000 1.294 203 L HN 0.717 nan 8.230 nan 0.000 0.414 204 Q N 3.661 123.452 119.800 -0.015 0.000 2.379 204 Q HA 0.442 4.782 4.340 -0.000 0.000 0.278 204 Q C -1.935 174.035 176.000 -0.050 0.000 1.068 204 Q CA -0.857 54.822 55.803 -0.207 0.000 0.816 204 Q CB 2.695 30.968 28.738 -0.776 0.000 1.387 204 Q HN 0.622 nan 8.270 nan 0.000 0.413 205 Y N 0.372 120.574 120.300 -0.163 0.000 2.470 205 Y HA 0.718 5.268 4.550 -0.000 0.000 0.341 205 Y C -1.983 173.915 175.900 -0.003 0.000 1.021 205 Y CA -0.457 57.480 58.100 -0.272 0.000 1.025 205 Y CB 2.279 40.271 38.460 -0.779 0.000 1.266 205 Y HN 0.976 nan 8.280 nan 0.000 0.448 206 A N 5.078 127.496 122.820 -0.670 0.000 2.414 206 A HA 0.733 5.053 4.320 -0.000 0.000 0.306 206 A C -2.551 174.768 177.584 -0.442 0.000 1.054 206 A CA -0.604 51.160 52.037 -0.455 0.000 0.724 206 A CB 1.198 19.878 19.000 -0.533 0.000 1.267 206 A HN 0.808 nan 8.150 nan 0.000 0.418 207 Y N 1.775 122.006 120.300 -0.115 0.000 2.504 207 Y HA 0.696 5.246 4.550 -0.000 0.000 0.344 207 Y C -0.507 175.489 175.900 0.159 0.000 1.023 207 Y CA -0.650 57.469 58.100 0.031 0.000 1.020 207 Y CB 1.679 40.137 38.460 -0.004 0.000 1.282 207 Y HN 0.886 nan 8.280 nan 0.000 0.454 208 R N 3.271 123.261 120.500 -0.850 0.000 2.584 208 R HA 0.393 4.733 4.340 -0.000 0.000 0.276 208 R C -2.030 173.705 176.300 -0.941 0.000 1.046 208 R CA -0.952 54.706 56.100 -0.736 0.000 0.906 208 R CB 1.836 31.738 30.300 -0.663 0.000 1.215 208 R HN 0.555 nan 8.270 nan 0.000 0.449 209 D N 3.438 123.542 120.400 -0.493 0.000 2.317 209 D HA 0.151 4.791 4.640 -0.000 0.000 0.252 209 D C 0.312 176.510 176.300 -0.171 0.000 1.174 209 D CA -0.406 53.461 54.000 -0.222 0.000 0.866 209 D CB 1.146 41.976 40.800 0.050 0.000 1.127 209 D HN 0.677 nan 8.370 nan 0.000 0.467 210 L N 2.777 123.918 121.223 -0.136 0.000 2.728 210 L HA 0.193 4.533 4.340 -0.000 0.000 0.238 210 L C 0.801 177.675 176.870 0.006 0.000 1.143 210 L CA -0.249 54.543 54.840 -0.080 0.000 0.937 210 L CB 0.000 42.014 42.059 -0.075 0.000 1.225 210 L HN 0.304 nan 8.230 nan 0.000 0.507 211 E N 1.739 121.948 120.200 0.015 0.000 2.558 211 E HA -0.121 4.229 4.350 -0.000 0.000 0.255 211 E C -0.215 176.395 176.600 0.016 0.000 0.968 211 E CA 0.285 56.702 56.400 0.028 0.000 0.939 211 E CB 0.255 29.976 29.700 0.035 0.000 0.921 211 E HN 0.167 nan 8.360 nan 0.000 0.477 212 D N 1.430 121.838 120.400 0.013 0.000 2.945 212 D HA -0.147 4.493 4.640 -0.000 0.000 0.225 212 D C -0.821 175.481 176.300 0.002 0.000 1.158 212 D CA 1.048 55.050 54.000 0.003 0.000 0.805 212 D CB -1.166 39.635 40.800 0.002 0.000 1.098 212 D HN 0.175 nan 8.370 nan 0.000 0.426 213 S N -0.633 115.073 115.700 0.010 0.000 2.578 213 S HA 0.766 5.235 4.470 -0.000 0.000 0.301 213 S C 0.084 174.699 174.600 0.024 0.000 1.091 213 S CA -0.368 57.834 58.200 0.004 0.000 1.032 213 S CB 2.291 65.480 63.200 -0.018 0.000 1.064 213 S HN 0.344 nan 8.310 nan 0.000 0.508 214 A N 2.234 125.061 122.820 0.011 0.000 2.253 214 A HA 0.700 5.020 4.320 -0.000 0.000 0.316 214 A C -0.827 176.766 177.584 0.015 0.000 1.327 214 A CA -0.520 51.532 52.037 0.025 0.000 0.917 214 A CB 0.051 19.058 19.000 0.011 0.000 1.162 214 A HN 0.597 nan 8.150 nan 0.000 0.535 215 V N 2.682 122.621 119.914 0.042 0.000 2.686 215 V HA 0.249 4.369 4.120 -0.000 0.000 0.306 215 V C -0.788 175.320 176.094 0.023 0.000 1.065 215 V CA -0.843 61.450 62.300 -0.010 0.000 0.894 215 V CB 2.082 33.847 31.823 -0.097 0.000 1.004 215 V HN 0.922 nan 8.190 nan 0.000 0.424 216 D N 3.097 123.498 120.400 0.001 0.000 2.358 216 D HA 0.190 4.830 4.640 -0.000 0.000 0.258 216 D C 1.052 177.342 176.300 -0.017 0.000 1.223 216 D CA 0.399 54.411 54.000 0.020 0.000 0.886 216 D CB 1.578 42.388 40.800 0.016 0.000 1.120 216 D HN 0.784 nan 8.370 nan 0.000 0.482 217 T N 0.618 115.174 114.554 0.005 0.000 3.085 217 T HA 0.224 4.574 4.350 -0.000 0.000 0.264 217 T C 0.843 175.540 174.700 -0.006 0.000 1.019 217 T CA -0.541 61.511 62.100 -0.080 0.000 0.910 217 T CB -0.008 68.693 68.868 -0.277 0.000 1.059 217 T HN 0.212 nan 8.240 nan 0.000 0.542 218 R N 1.312 121.838 120.500 0.043 0.000 2.484 218 R HA 0.322 4.662 4.340 -0.000 0.000 0.293 218 R C -0.387 175.939 176.300 0.043 0.000 1.023 218 R CA 0.137 56.274 56.100 0.062 0.000 1.037 218 R CB 0.199 30.538 30.300 0.065 0.000 0.951 218 R HN 0.444 nan 8.270 nan 0.000 0.418 219 I N 4.555 125.161 120.570 0.060 0.000 2.297 219 I HA 0.208 4.377 4.170 -0.000 0.000 0.291 219 I C 0.256 176.405 176.117 0.054 0.000 1.033 219 I CA -0.189 61.130 61.300 0.032 0.000 1.253 219 I CB 0.883 38.902 38.000 0.031 0.000 1.396 219 I HN 0.437 nan 8.210 nan 0.000 0.476 220 R N 6.230 126.728 120.500 -0.002 0.000 2.629 220 R HA 0.320 4.660 4.340 -0.000 0.000 0.277 220 R C -2.686 173.581 176.300 -0.055 0.000 1.637 220 R CA -1.575 54.541 56.100 0.026 0.000 1.663 220 R CB 0.576 30.903 30.300 0.045 0.000 1.228 220 R HN 0.275 nan 8.270 nan 0.000 0.632 221 P HA 0.102 nan 4.420 nan 0.000 0.271 221 P C 0.077 177.341 177.300 -0.060 0.000 1.216 221 P CA -0.291 62.678 63.100 -0.218 0.000 0.771 221 P CB 0.888 32.291 31.700 -0.494 0.000 0.864 222 R N 2.659 123.136 120.500 -0.040 0.000 2.316 222 R HA 0.103 4.443 4.340 -0.000 0.000 0.202 222 R C 0.343 176.723 176.300 0.135 0.000 1.029 222 R CA 0.293 56.404 56.100 0.018 0.000 1.018 222 R CB -0.319 29.941 30.300 -0.066 0.000 0.888 222 R HN 0.403 nan 8.270 nan 0.000 0.471 223 M N -0.673 118.971 119.600 0.074 0.000 2.653 223 M HA -0.192 4.288 4.480 -0.000 0.000 0.203 223 M C 0.637 177.060 176.300 0.205 0.000 0.502 223 M CA 1.343 56.717 55.300 0.123 0.000 0.601 223 M CB -2.339 30.385 32.600 0.206 0.000 2.228 223 M HN 0.596 nan 8.290 nan 0.000 0.711 224 G N -0.694 108.139 108.800 0.055 0.000 2.157 224 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.239 224 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.239 224 G C -0.093 174.754 174.900 -0.088 0.000 0.982 224 G CA 0.427 45.530 45.100 0.005 0.000 0.650 224 G HN 0.495 nan 8.290 nan 0.000 0.527 225 M N 0.122 119.603 119.600 -0.199 0.000 2.035 225 M HA 0.696 5.176 4.480 -0.000 0.000 0.286 225 M C 0.827 176.872 176.300 -0.424 0.000 0.907 225 M CA -1.026 53.983 55.300 -0.486 0.000 0.935 225 M CB 1.517 33.417 32.600 -1.167 0.000 1.557 225 M HN 0.072 nan 8.290 nan 0.000 0.426 226 R N 2.693 123.019 120.500 -0.289 0.000 2.105 226 R HA 0.033 4.373 4.340 -0.000 0.000 0.239 226 R C 1.560 177.611 176.300 -0.414 0.000 1.135 226 R CA 2.325 58.267 56.100 -0.263 0.000 0.967 226 R CB -0.692 29.535 30.300 -0.122 0.000 0.861 226 R HN 0.891 nan 8.270 nan 0.000 0.442 227 G N -0.134 108.384 108.800 -0.470 0.000 2.535 227 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 227 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 227 G C 1.381 176.070 174.900 -0.351 0.000 1.122 227 G CA 0.888 45.758 45.100 -0.384 0.000 0.769 227 G HN 0.370 nan 8.290 nan 0.000 0.549 228 V N -2.316 117.248 119.914 -0.584 0.000 2.490 228 V HA 0.136 4.255 4.120 -0.000 0.000 0.250 228 V C 0.987 177.016 176.094 -0.108 0.000 1.061 228 V CA 1.584 63.729 62.300 -0.258 0.000 1.064 228 V CB -0.120 31.576 31.823 -0.211 0.000 0.670 228 V HN 0.267 nan 8.190 nan 0.000 0.461 229 S N -1.189 114.411 115.700 -0.166 0.000 2.599 229 S HA 0.555 5.024 4.470 -0.000 0.000 0.269 229 S C -0.676 173.816 174.600 -0.180 0.000 1.135 229 S CA 0.294 58.420 58.200 -0.123 0.000 1.027 229 S CB 1.296 64.453 63.200 -0.072 0.000 1.129 229 S HN 0.874 nan 8.310 nan 0.000 0.458 230 T N 3.705 118.136 114.554 -0.204 0.000 2.885 230 T HA 0.517 4.867 4.350 -0.000 0.000 0.322 230 T C -1.174 173.434 174.700 -0.153 0.000 1.387 230 T CA -0.574 61.376 62.100 -0.251 0.000 1.041 230 T CB 1.095 69.622 68.868 -0.569 0.000 1.287 230 T HN 0.534 nan 8.240 nan 0.000 0.491 231 N N 0.202 118.854 118.700 -0.080 0.000 2.405 231 N HA 0.640 5.380 4.740 -0.000 0.000 0.269 231 N C 1.263 176.801 175.510 0.048 0.000 1.249 231 N CA 0.966 54.010 53.050 -0.011 0.000 0.974 231 N CB 0.701 39.193 38.487 0.009 0.000 1.204 231 N HN 1.163 nan 8.380 nan 0.000 0.565 232 G N -2.385 106.473 108.800 0.097 0.000 2.176 232 G HA2 -0.048 3.911 3.960 -0.000 0.000 0.232 232 G HA3 -0.048 3.911 3.960 -0.000 0.000 0.232 232 G C 0.485 175.510 174.900 0.208 0.000 0.986 232 G CA 0.795 46.018 45.100 0.205 0.000 0.643 232 G HN 1.042 nan 8.290 nan 0.000 0.522 233 G N 0.018 108.902 108.800 0.140 0.000 2.483 233 G HA2 0.534 4.494 3.960 -0.000 0.000 0.090 233 G HA3 0.534 4.494 3.960 -0.000 0.000 0.090 233 G C -0.594 174.357 174.900 0.085 0.000 0.984 233 G CA 0.687 45.848 45.100 0.101 0.000 1.325 233 G HN 1.747 nan 8.290 nan 0.000 0.561 234 N N 0.982 119.749 118.700 0.113 0.000 2.357 234 N HA 0.673 5.412 4.740 -0.000 0.000 0.284 234 N C -1.327 174.237 175.510 0.090 0.000 1.236 234 N CA -0.025 53.075 53.050 0.084 0.000 0.774 234 N CB 2.887 41.418 38.487 0.074 0.000 1.534 234 N HN 0.672 nan 8.380 nan 0.000 0.478 235 D N -1.183 119.249 120.400 0.053 0.000 2.867 235 D HA 0.460 5.100 4.640 -0.000 0.000 0.308 235 D C 0.228 176.584 176.300 0.094 0.000 1.202 235 D CA -0.680 53.355 54.000 0.057 0.000 1.035 235 D CB 0.372 41.148 40.800 -0.041 0.000 1.427 235 D HN 0.583 nan 8.370 nan 0.000 0.570 236 A N -0.650 122.267 122.820 0.162 0.000 2.216 236 A HA 0.410 4.730 4.320 -0.000 0.000 0.214 236 A C 1.664 179.291 177.584 0.071 0.000 1.160 236 A CA 1.565 53.689 52.037 0.145 0.000 0.725 236 A CB -1.591 17.594 19.000 0.309 0.000 0.784 236 A HN 1.279 nan 8.150 nan 0.000 0.472 237 G N -0.494 108.336 108.800 0.050 0.000 2.651 237 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.315 237 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.315 237 G C 1.222 176.138 174.900 0.027 0.000 1.258 237 G CA 0.797 45.914 45.100 0.029 0.000 1.002 237 G HN 0.764 nan 8.290 nan 0.000 0.551 238 S N 0.867 116.579 115.700 0.021 0.000 2.500 238 S HA -0.061 4.409 4.470 -0.000 0.000 0.239 238 S C 1.709 176.321 174.600 0.019 0.000 0.989 238 S CA 1.453 59.663 58.200 0.017 0.000 0.951 238 S CB -0.185 63.022 63.200 0.013 0.000 0.759 238 S HN 0.633 nan 8.310 nan 0.000 0.523 239 N N 0.949 119.665 118.700 0.028 0.000 2.214 239 N HA 0.170 4.910 4.740 -0.000 0.000 0.214 239 N C 0.163 175.711 175.510 0.064 0.000 1.132 239 N CA -0.114 52.956 53.050 0.033 0.000 0.856 239 N CB 0.358 38.858 38.487 0.023 0.000 1.020 239 N HN 0.249 nan 8.380 nan 0.000 0.509 240 G N 0.421 109.261 108.800 0.068 0.000 2.339 240 G HA2 0.133 4.093 3.960 -0.000 0.000 0.287 240 G HA3 0.133 4.093 3.960 -0.000 0.000 0.287 240 G C -0.520 174.394 174.900 0.023 0.000 1.163 240 G CA -0.468 44.683 45.100 0.086 0.000 0.872 240 G HN 0.255 nan 8.290 nan 0.000 0.464 241 N N 1.482 120.180 118.700 -0.003 0.000 2.500 241 N HA 0.155 4.895 4.740 -0.000 0.000 0.236 241 N C -0.102 175.363 175.510 -0.075 0.000 1.022 241 N CA -0.451 52.542 53.050 -0.095 0.000 0.935 241 N CB 0.626 38.956 38.487 -0.263 0.000 1.147 241 N HN 0.427 nan 8.380 nan 0.000 0.512 242 R N 2.943 123.430 120.500 -0.022 0.000 2.423 242 R HA 0.404 4.744 4.340 -0.000 0.000 0.293 242 R C -0.052 176.291 176.300 0.072 0.000 1.196 242 R CA -0.668 55.448 56.100 0.027 0.000 1.262 242 R CB 0.099 30.407 30.300 0.013 0.000 1.116 242 R HN 0.627 nan 8.270 nan 0.000 0.566 243 G N 2.595 111.482 108.800 0.145 0.000 2.442 243 G HA2 0.136 4.096 3.960 -0.000 0.000 0.249 243 G HA3 0.136 4.096 3.960 -0.000 0.000 0.249 243 G C -0.594 174.489 174.900 0.304 0.000 1.263 243 G CA -0.565 44.663 45.100 0.214 0.000 0.846 243 G HN 0.452 nan 8.290 nan 0.000 0.555 244 L N 3.091 124.440 121.223 0.211 0.000 2.295 244 L HA 0.411 4.751 4.340 -0.000 0.000 0.288 244 L C 0.614 177.636 176.870 0.253 0.000 1.079 244 L CA -0.267 54.700 54.840 0.212 0.000 0.830 244 L CB -0.100 42.033 42.059 0.123 0.000 1.200 244 L HN 0.582 nan 8.230 nan 0.000 0.438 245 F N 3.326 123.307 119.950 0.053 0.000 2.367 245 F HA 0.293 4.820 4.527 -0.000 0.000 0.298 245 F C 1.531 177.358 175.800 0.046 0.000 1.094 245 F CA 0.794 58.821 58.000 0.045 0.000 1.409 245 F CB 0.334 39.352 39.000 0.030 0.000 1.064 245 F HN 0.675 nan 8.300 nan 0.000 0.528 246 G N -1.482 107.453 108.800 0.225 0.000 2.320 246 G HA2 0.423 4.383 3.960 -0.000 0.000 0.297 246 G HA3 0.423 4.383 3.960 -0.000 0.000 0.297 246 G C -0.620 174.366 174.900 0.143 0.000 1.344 246 G CA -0.200 44.995 45.100 0.158 0.000 0.851 246 G HN 0.587 nan 8.290 nan 0.000 0.567 247 G N -1.439 107.456 108.800 0.159 0.000 2.757 247 G HA2 0.427 4.387 3.960 -0.000 0.000 0.638 247 G HA3 0.427 4.387 3.960 -0.000 0.000 0.638 247 G C -0.181 174.844 174.900 0.209 0.000 1.344 247 G CA 0.477 45.685 45.100 0.181 0.000 0.855 247 G HN 1.921 nan 8.290 nan 0.000 0.537 248 S N -0.869 114.990 115.700 0.265 0.000 2.632 248 S HA 0.831 5.301 4.470 -0.000 0.000 0.289 248 S C 0.396 175.099 174.600 0.172 0.000 1.115 248 S CA -0.061 58.276 58.200 0.229 0.000 0.889 248 S CB 1.904 65.278 63.200 0.289 0.000 1.116 248 S HN 1.154 nan 8.310 nan 0.000 0.486 249 S N 1.514 117.285 115.700 0.118 0.000 2.589 249 S HA 0.384 4.854 4.470 -0.000 0.000 0.265 249 S C 0.470 175.130 174.600 0.101 0.000 1.342 249 S CA -0.519 57.733 58.200 0.087 0.000 1.005 249 S CB 0.323 63.557 63.200 0.057 0.000 0.909 249 S HN 0.889 nan 8.310 nan 0.000 0.555 250 A N 2.007 124.870 122.820 0.071 0.000 2.897 250 A HA 0.392 4.712 4.320 -0.000 0.000 0.287 250 A C -0.256 177.357 177.584 0.049 0.000 1.748 250 A CA -0.308 51.769 52.037 0.067 0.000 1.397 250 A CB -0.903 18.119 19.000 0.036 0.000 1.049 250 A HN 0.499 nan 8.150 nan 0.000 0.592 251 V N 3.995 123.941 119.914 0.054 0.000 2.398 251 V HA 0.201 4.320 4.120 -0.000 0.000 0.286 251 V C 0.475 176.571 176.094 0.004 0.000 1.026 251 V CA -0.799 61.509 62.300 0.013 0.000 0.868 251 V CB 1.515 33.329 31.823 -0.015 0.000 0.982 251 V HN 0.978 nan 8.190 nan 0.000 0.443 252 E N 3.498 123.696 120.200 -0.004 0.000 2.414 252 E HA 0.401 4.751 4.350 -0.000 0.000 0.263 252 E C 0.927 177.505 176.600 -0.037 0.000 1.000 252 E CA 0.326 56.722 56.400 -0.007 0.000 0.914 252 E CB 0.548 30.243 29.700 -0.008 0.000 0.948 252 E HN 1.070 nan 8.360 nan 0.000 0.444 253 G N 2.758 111.537 108.800 -0.036 0.000 2.141 253 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.242 253 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.242 253 G C 0.535 175.342 174.900 -0.155 0.000 0.982 253 G CA 0.259 45.319 45.100 -0.066 0.000 0.662 253 G HN 0.523 nan 8.290 nan 0.000 0.527 254 L N -2.079 118.983 121.223 -0.269 0.000 2.240 254 L HA 0.261 4.601 4.340 -0.000 0.000 0.211 254 L C 1.247 177.626 176.870 -0.818 0.000 1.106 254 L CA 0.737 55.181 54.840 -0.660 0.000 0.793 254 L CB -0.073 41.400 42.059 -0.976 0.000 0.927 254 L HN 0.374 nan 8.230 nan 0.000 0.446 255 W N -1.266 120.015 121.300 -0.031 0.000 2.864 255 W HA 0.368 5.028 4.660 -0.001 0.000 0.343 255 W C 0.934 177.431 176.519 -0.036 0.000 1.109 255 W CA -0.830 56.494 57.345 -0.036 0.000 1.192 255 W CB 1.305 30.726 29.460 -0.065 0.000 1.426 255 W HN -0.378 nan 8.180 nan 0.000 0.529 256 K N 0.264 120.803 120.400 0.232 0.000 2.121 256 K HA 0.054 4.373 4.320 -0.000 0.000 0.203 256 K C -0.275 176.376 176.600 0.086 0.000 1.041 256 K CA 0.897 57.264 56.287 0.132 0.000 0.969 256 K CB 0.122 32.699 32.500 0.128 0.000 0.799 256 K HN 0.584 nan 8.250 nan 0.000 0.456 257 D N -1.045 119.397 120.400 0.070 0.000 2.713 257 D HA 0.194 4.834 4.640 -0.000 0.000 0.306 257 D C -1.663 174.556 176.300 -0.136 0.000 1.299 257 D CA -0.761 53.187 54.000 -0.087 0.000 0.823 257 D CB 1.010 41.809 40.800 -0.002 0.000 1.353 257 D HN -0.202 nan 8.370 nan 0.000 0.447 258 D N -0.927 119.289 120.400 -0.306 0.000 2.855 258 D HA 0.535 5.175 4.640 -0.000 0.000 0.241 258 D C -1.519 174.771 176.300 -0.015 0.000 1.277 258 D CA -0.288 53.575 54.000 -0.229 0.000 0.918 258 D CB 1.815 42.260 40.800 -0.593 0.000 1.462 258 D HN 0.343 nan 8.370 nan 0.000 0.559 259 S N 1.340 117.166 115.700 0.210 0.000 2.557 259 S HA 0.713 5.182 4.470 -0.000 0.000 0.291 259 S C -0.684 174.040 174.600 0.208 0.000 1.116 259 S CA -0.686 57.678 58.200 0.273 0.000 0.992 259 S CB 1.989 65.441 63.200 0.419 0.000 1.028 259 S HN 0.268 nan 8.310 nan 0.000 0.484 260 V N 2.270 122.189 119.914 0.009 0.000 2.638 260 V HA 0.525 4.645 4.120 -0.000 0.000 0.306 260 V C -1.366 174.797 176.094 0.115 0.000 1.052 260 V CA -0.715 61.596 62.300 0.018 0.000 0.885 260 V CB 1.478 33.113 31.823 -0.313 0.000 0.999 260 V HN 0.947 nan 8.190 nan 0.000 0.424 261 W N 1.834 123.336 121.300 0.337 0.000 2.606 261 W HA 0.786 5.446 4.660 0.000 0.000 0.332 261 W C 0.429 177.166 176.519 0.363 0.000 1.052 261 W CA -0.407 57.175 57.345 0.395 0.000 1.223 261 W CB 2.387 32.044 29.460 0.328 0.000 1.383 261 W HN 0.798 nan 8.180 nan 0.000 0.524 262 G N 2.726 111.847 108.800 0.535 0.000 2.620 262 G HA2 0.717 4.677 3.960 -0.000 0.000 0.301 262 G HA3 0.717 4.677 3.960 -0.000 0.000 0.301 262 G C -2.370 172.674 174.900 0.240 0.000 1.347 262 G CA -0.825 44.469 45.100 0.323 0.000 0.971 262 G HN 0.481 nan 8.290 nan 0.000 0.488 263 L N 1.250 122.640 121.223 0.277 0.000 2.385 263 L HA 0.689 5.028 4.340 -0.000 0.000 0.273 263 L C -0.508 176.475 176.870 0.189 0.000 0.990 263 L CA -0.762 54.209 54.840 0.219 0.000 0.821 263 L CB 2.070 44.260 42.059 0.218 0.000 1.279 263 L HN 0.865 nan 8.230 nan 0.000 0.412 264 E N 3.331 123.633 120.200 0.170 0.000 2.367 264 E HA 0.803 5.153 4.350 -0.000 0.000 0.273 264 E C -1.210 175.525 176.600 0.224 0.000 0.903 264 E CA -0.962 55.544 56.400 0.177 0.000 0.764 264 E CB 2.636 32.458 29.700 0.202 0.000 1.252 264 E HN 0.581 nan 8.360 nan 0.000 0.446 265 G N -0.024 108.883 108.800 0.178 0.000 2.659 265 G HA2 0.719 4.678 3.960 -0.000 0.000 0.296 265 G HA3 0.719 4.678 3.960 -0.000 0.000 0.296 265 G C -1.611 173.390 174.900 0.170 0.000 1.369 265 G CA -0.490 44.743 45.100 0.222 0.000 0.937 265 G HN 0.695 nan 8.290 nan 0.000 0.485 266 A N -0.002 122.953 122.820 0.225 0.000 2.549 266 A HA 0.801 5.121 4.320 -0.000 0.000 0.297 266 A C -2.234 175.567 177.584 0.361 0.000 1.061 266 A CA -0.579 51.609 52.037 0.252 0.000 0.690 266 A CB 1.734 20.832 19.000 0.164 0.000 1.287 266 A HN 1.276 nan 8.150 nan 0.000 0.402 267 W N 1.578 122.985 121.300 0.179 0.000 3.042 267 W HA 0.671 5.331 4.660 -0.000 0.000 0.337 267 W C -0.815 175.828 176.519 0.206 0.000 1.086 267 W CA 0.082 57.518 57.345 0.152 0.000 1.236 267 W CB 1.882 31.428 29.460 0.143 0.000 1.381 267 W HN 1.217 nan 8.180 nan 0.000 0.472 268 A N 5.752 128.340 122.820 -0.387 0.000 2.359 268 A HA 0.767 5.087 4.320 -0.000 0.000 0.303 268 A C -2.421 174.741 177.584 -0.703 0.000 1.066 268 A CA -0.682 51.135 52.037 -0.366 0.000 0.730 268 A CB 1.501 20.487 19.000 -0.023 0.000 1.211 268 A HN 0.830 nan 8.150 nan 0.000 0.439 269 L N 3.433 124.287 121.223 -0.614 0.000 2.377 269 L HA 0.653 4.993 4.340 -0.000 0.000 0.270 269 L C 0.868 177.671 176.870 -0.110 0.000 0.991 269 L CA 1.348 55.918 54.840 -0.450 0.000 0.851 269 L CB 0.811 42.517 42.059 -0.590 0.000 1.218 269 L HN 1.825 nan 8.230 nan 0.000 0.420 270 G N 3.835 112.587 108.800 -0.081 0.000 2.685 270 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.329 270 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.329 270 G C 0.880 175.794 174.900 0.023 0.000 1.271 270 G CA 0.726 45.820 45.100 -0.009 0.000 1.003 270 G HN 1.469 nan 8.290 nan 0.000 0.549 271 A N -0.620 122.250 122.820 0.082 0.000 2.209 271 A HA 0.532 4.851 4.320 -0.000 0.000 0.212 271 A C 0.916 178.605 177.584 0.175 0.000 1.158 271 A CA 1.317 53.369 52.037 0.025 0.000 0.742 271 A CB -0.169 18.741 19.000 -0.149 0.000 0.790 271 A HN 1.060 nan 8.150 nan 0.000 0.472 272 F N 1.173 121.224 119.950 0.169 0.000 2.404 272 F HA 0.511 5.038 4.527 -0.000 0.000 0.339 272 F C 0.341 176.166 175.800 0.042 0.000 1.105 272 F CA -0.124 58.002 58.000 0.211 0.000 1.087 272 F CB 1.427 40.556 39.000 0.216 0.000 1.143 272 F HN 0.053 nan 8.300 nan 0.000 0.491 273 S N 4.156 119.585 115.700 -0.453 0.000 2.546 273 S HA 0.914 5.383 4.470 -0.000 0.000 0.274 273 S C -1.200 173.250 174.600 -0.250 0.000 1.121 273 S CA -0.796 57.276 58.200 -0.214 0.000 0.887 273 S CB 1.536 64.557 63.200 -0.298 0.000 1.094 273 S HN 1.019 nan 8.310 nan 0.000 0.474 274 A N 2.066 125.000 122.820 0.189 0.000 2.371 274 A HA 0.845 5.165 4.320 -0.000 0.000 0.311 274 A C -0.665 177.052 177.584 0.222 0.000 1.068 274 A CA -0.824 51.358 52.037 0.240 0.000 0.744 274 A CB 1.470 20.746 19.000 0.460 0.000 1.239 274 A HN 1.063 nan 8.150 nan 0.000 0.435 275 Q N 0.784 120.678 119.800 0.157 0.000 2.379 275 Q HA 0.831 5.171 4.340 -0.000 0.000 0.278 275 Q C -1.076 174.930 176.000 0.010 0.000 1.068 275 Q CA -0.889 55.002 55.803 0.146 0.000 0.816 275 Q CB 2.255 31.117 28.738 0.206 0.000 1.387 275 Q HN 1.616 nan 8.270 nan 0.000 0.413 276 A N 1.644 124.386 122.820 -0.130 0.000 2.574 276 A HA 0.709 5.029 4.320 -0.000 0.000 0.297 276 A C -1.628 175.740 177.584 -0.359 0.000 1.062 276 A CA -0.666 51.116 52.037 -0.425 0.000 0.686 276 A CB 2.131 21.046 19.000 -0.141 0.000 1.285 276 A HN 0.768 nan 8.150 nan 0.000 0.403 277 E N -0.043 119.842 120.200 -0.525 0.000 2.292 277 E HA 0.479 4.829 4.350 -0.000 0.000 0.272 277 E C -2.042 174.636 176.600 0.130 0.000 0.881 277 E CA -0.489 55.872 56.400 -0.065 0.000 0.754 277 E CB 2.673 32.445 29.700 0.121 0.000 1.201 277 E HN 0.613 nan 8.360 nan 0.000 0.425 278 Y N 3.214 123.581 120.300 0.111 0.000 2.446 278 Y HA 0.602 5.151 4.550 -0.000 0.000 0.345 278 Y C -1.790 174.251 175.900 0.235 0.000 0.984 278 Y CA -1.031 57.176 58.100 0.178 0.000 1.058 278 Y CB 0.969 39.498 38.460 0.116 0.000 1.220 278 Y HN 0.496 nan 8.280 nan 0.000 0.455 279 L N 3.274 124.219 121.223 -0.465 0.000 2.415 279 L HA 0.870 5.210 4.340 -0.000 0.000 0.256 279 L C -1.696 174.898 176.870 -0.460 0.000 1.010 279 L CA -1.194 53.515 54.840 -0.219 0.000 0.826 279 L CB 2.333 44.479 42.059 0.145 0.000 1.405 279 L HN 0.684 nan 8.230 nan 0.000 0.410 280 R N 0.267 120.729 120.500 -0.063 0.000 2.621 280 R HA 0.843 5.183 4.340 -0.000 0.000 0.284 280 R C -1.099 175.286 176.300 0.141 0.000 0.998 280 R CA -0.835 55.286 56.100 0.035 0.000 0.895 280 R CB 1.801 32.201 30.300 0.167 0.000 1.195 280 R HN 0.865 nan 8.270 nan 0.000 0.450 281 R N 1.363 121.923 120.500 0.099 0.000 2.621 281 R HA 0.578 4.918 4.340 -0.000 0.000 0.292 281 R C -1.286 175.091 176.300 0.127 0.000 0.969 281 R CA -0.540 55.625 56.100 0.108 0.000 0.887 281 R CB 2.426 32.749 30.300 0.038 0.000 1.180 281 R HN 0.832 nan 8.270 nan 0.000 0.450 282 T N 3.434 118.080 114.554 0.154 0.000 2.881 282 T HA 0.279 4.629 4.350 -0.000 0.000 0.291 282 T C -0.977 173.776 174.700 0.089 0.000 0.990 282 T CA -0.548 61.633 62.100 0.135 0.000 0.976 282 T CB 1.563 70.539 68.868 0.180 0.000 0.970 282 T HN 0.292 nan 8.240 nan 0.000 0.438 283 V N 4.375 124.293 119.914 0.007 0.000 2.318 283 V HA 0.334 4.454 4.120 -0.000 0.000 0.271 283 V C 0.437 176.609 176.094 0.130 0.000 1.030 283 V CA -0.920 61.322 62.300 -0.097 0.000 0.844 283 V CB 0.565 32.057 31.823 -0.551 0.000 1.015 283 V HN 0.707 nan 8.190 nan 0.000 0.460 284 K N 3.557 124.069 120.400 0.188 0.000 2.379 284 K HA 0.579 4.899 4.320 -0.000 0.000 0.284 284 K C 0.395 177.222 176.600 0.377 0.000 1.044 284 K CA -0.024 56.413 56.287 0.249 0.000 0.974 284 K CB 1.133 33.747 32.500 0.190 0.000 0.962 284 K HN 0.834 nan 8.250 nan 0.000 0.474 285 A N 3.548 126.564 122.820 0.327 0.000 2.302 285 A HA 0.194 4.513 4.320 -0.000 0.000 0.285 285 A C -0.085 177.529 177.584 0.050 0.000 1.105 285 A CA -0.576 51.566 52.037 0.176 0.000 0.816 285 A CB 0.488 19.510 19.000 0.036 0.000 1.067 285 A HN 0.645 nan 8.150 nan 0.000 0.489 286 E N 0.935 121.098 120.200 -0.062 0.000 2.314 286 E HA 0.189 4.539 4.350 -0.000 0.000 0.262 286 E C 0.053 176.611 176.600 -0.070 0.000 1.093 286 E CA -0.696 55.674 56.400 -0.050 0.000 0.908 286 E CB 0.583 30.239 29.700 -0.072 0.000 1.091 286 E HN 0.717 nan 8.360 nan 0.000 0.425 287 R N 2.620 123.096 120.500 -0.040 0.000 2.291 287 R HA -0.315 4.025 4.340 -0.000 0.000 0.270 287 R C -0.789 175.480 176.300 -0.051 0.000 1.002 287 R CA 1.024 57.100 56.100 -0.041 0.000 0.920 287 R CB -1.333 28.940 30.300 -0.045 0.000 2.449 287 R HN 0.757 nan 8.270 nan 0.000 0.527 288 D N -0.248 120.134 120.400 -0.031 0.000 2.880 288 D HA -0.214 4.426 4.640 -0.000 0.000 0.198 288 D C -0.004 176.275 176.300 -0.035 0.000 1.059 288 D CA 2.045 56.029 54.000 -0.027 0.000 1.019 288 D CB -0.328 40.455 40.800 -0.028 0.000 1.112 288 D HN 0.722 nan 8.370 nan 0.000 0.424 289 R N 0.707 121.170 120.500 -0.062 0.000 2.543 289 R HA 0.359 4.699 4.340 -0.000 0.000 0.268 289 R C 0.661 176.948 176.300 -0.021 0.000 1.067 289 R CA -0.432 55.620 56.100 -0.080 0.000 1.142 289 R CB 0.856 31.038 30.300 -0.198 0.000 1.110 289 R HN -0.038 nan 8.270 nan 0.000 0.549 290 E N 1.405 121.611 120.200 0.010 0.000 2.231 290 E HA 0.109 4.459 4.350 -0.000 0.000 0.277 290 E C -0.696 176.007 176.600 0.170 0.000 0.999 290 E CA -0.508 55.939 56.400 0.078 0.000 0.827 290 E CB 0.969 30.716 29.700 0.079 0.000 1.101 290 E HN 0.353 nan 8.360 nan 0.000 0.393 291 D N 1.168 121.687 120.400 0.198 0.000 2.400 291 D HA 0.056 4.696 4.640 -0.000 0.000 0.238 291 D C -0.125 176.346 176.300 0.285 0.000 1.157 291 D CA -0.152 54.019 54.000 0.285 0.000 0.889 291 D CB 0.592 41.511 40.800 0.197 0.000 1.199 291 D HN 0.106 nan 8.370 nan 0.000 0.436 292 L N 1.521 122.909 121.223 0.275 0.000 2.282 292 L HA 0.323 4.663 4.340 -0.000 0.000 0.288 292 L C -0.482 176.432 176.870 0.073 0.000 1.033 292 L CA -0.075 54.843 54.840 0.130 0.000 0.807 292 L CB 0.536 42.571 42.059 -0.041 0.000 1.209 292 L HN 0.185 nan 8.230 nan 0.000 0.423 293 K N 4.383 124.837 120.400 0.089 0.000 2.371 293 K HA 0.906 5.226 4.320 -0.000 0.000 0.251 293 K C -1.351 175.296 176.600 0.078 0.000 0.934 293 K CA -0.793 55.547 56.287 0.087 0.000 0.798 293 K CB 2.146 34.710 32.500 0.106 0.000 1.204 293 K HN 0.705 nan 8.250 nan 0.000 0.427 294 A N 1.154 124.012 122.820 0.064 0.000 2.515 294 A HA 0.759 5.079 4.320 -0.000 0.000 0.298 294 A C -1.149 176.452 177.584 0.029 0.000 1.059 294 A CA -0.693 51.373 52.037 0.048 0.000 0.698 294 A CB 1.589 20.600 19.000 0.019 0.000 1.289 294 A HN 0.683 nan 8.150 nan 0.000 0.404 295 S N 0.057 115.770 115.700 0.021 0.000 2.579 295 S HA 0.969 5.439 4.470 -0.000 0.000 0.272 295 S C -0.294 174.289 174.600 -0.029 0.000 1.141 295 S CA -0.166 58.013 58.200 -0.035 0.000 0.843 295 S CB 1.497 64.729 63.200 0.054 0.000 1.122 295 S HN 2.513 nan 8.310 nan 0.000 0.468 296 G N 0.193 108.925 108.800 -0.114 0.000 2.451 296 G HA2 0.618 4.578 3.960 -0.000 0.000 0.292 296 G HA3 0.618 4.578 3.960 -0.000 0.000 0.292 296 G C -1.887 173.079 174.900 0.109 0.000 1.427 296 G CA -0.273 44.834 45.100 0.011 0.000 0.792 296 G HN 1.818 nan 8.290 nan 0.000 0.498 297 Y N -1.487 118.853 120.300 0.066 0.000 2.670 297 Y HA 0.848 5.398 4.550 -0.000 0.000 0.334 297 Y C -1.235 174.717 175.900 0.087 0.000 1.185 297 Y CA -2.099 56.064 58.100 0.105 0.000 1.053 297 Y CB 1.314 39.914 38.460 0.234 0.000 1.298 297 Y HN 1.322 nan 8.280 nan 0.000 0.459 298 Y N 0.357 120.699 120.300 0.070 0.000 2.576 298 Y HA 1.002 5.552 4.550 -0.000 0.000 0.346 298 Y C -1.528 174.501 175.900 0.214 0.000 1.018 298 Y CA -1.623 56.449 58.100 -0.047 0.000 1.050 298 Y CB 1.863 40.233 38.460 -0.151 0.000 1.280 298 Y HN 1.031 nan 8.280 nan 0.000 0.474 299 A N 3.150 126.128 122.820 0.263 0.000 2.374 299 A HA 0.608 4.928 4.320 -0.000 0.000 0.305 299 A C -1.556 176.174 177.584 0.243 0.000 1.053 299 A CA -0.754 51.398 52.037 0.192 0.000 0.726 299 A CB 1.797 20.951 19.000 0.258 0.000 1.229 299 A HN 0.853 nan 8.150 nan 0.000 0.431 300 Q N 2.608 122.557 119.800 0.248 0.000 2.321 300 Q HA 0.679 5.019 4.340 -0.000 0.000 0.270 300 Q C -1.953 174.138 176.000 0.151 0.000 1.032 300 Q CA -0.561 55.366 55.803 0.207 0.000 0.784 300 Q CB 1.404 30.278 28.738 0.226 0.000 1.264 300 Q HN 0.757 nan 8.270 nan 0.000 0.448 301 L N 2.559 123.884 121.223 0.170 0.000 2.322 301 L HA 0.898 5.238 4.340 -0.000 0.000 0.281 301 L C -0.606 176.277 176.870 0.021 0.000 1.014 301 L CA -0.864 54.014 54.840 0.063 0.000 0.815 301 L CB 1.775 43.991 42.059 0.262 0.000 1.247 301 L HN 0.699 nan 8.230 nan 0.000 0.421 302 A N 2.976 125.644 122.820 -0.253 0.000 2.414 302 A HA 0.738 5.058 4.320 -0.000 0.000 0.306 302 A C -1.966 175.527 177.584 -0.152 0.000 1.054 302 A CA -0.417 51.570 52.037 -0.084 0.000 0.724 302 A CB 1.616 20.562 19.000 -0.089 0.000 1.267 302 A HN 0.600 nan 8.150 nan 0.000 0.418 303 Y N 1.157 121.435 120.300 -0.038 0.000 2.354 303 Y HA 0.502 5.052 4.550 -0.000 0.000 0.330 303 Y C -0.312 175.660 175.900 0.120 0.000 1.011 303 Y CA -0.438 57.694 58.100 0.054 0.000 1.099 303 Y CB 2.003 40.585 38.460 0.203 0.000 1.179 303 Y HN 0.590 nan 8.280 nan 0.000 0.442 304 T N 7.716 121.999 114.554 -0.452 0.000 2.739 304 T HA 0.201 4.551 4.350 -0.000 0.000 0.298 304 T C 1.609 175.920 174.700 -0.649 0.000 0.929 304 T CA -0.262 61.622 62.100 -0.361 0.000 1.014 304 T CB 0.299 69.025 68.868 -0.236 0.000 0.914 304 T HN 0.752 nan 8.240 nan 0.000 0.509 305 L N 2.679 123.734 121.223 -0.280 0.000 2.127 305 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 305 L C 2.797 179.646 176.870 -0.036 0.000 1.089 305 L CA 1.287 56.067 54.840 -0.100 0.000 0.757 305 L CB -0.789 41.349 42.059 0.133 0.000 0.899 305 L HN 0.706 nan 8.230 nan 0.000 0.434 306 T N -4.064 110.502 114.554 0.020 0.000 3.129 306 T HA 0.295 4.645 4.350 -0.000 0.000 0.251 306 T C 1.413 176.106 174.700 -0.012 0.000 1.117 306 T CA 0.458 62.593 62.100 0.059 0.000 1.034 306 T CB 0.644 69.609 68.868 0.163 0.000 0.968 306 T HN 0.496 nan 8.240 nan 0.000 0.526 307 G N 1.059 109.800 108.800 -0.098 0.000 2.213 307 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.226 307 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.226 307 G C -0.264 174.579 174.900 -0.095 0.000 0.992 307 G CA -0.355 44.691 45.100 -0.089 0.000 0.632 307 G HN 0.581 nan 8.290 nan 0.000 0.511 308 E N 2.638 122.769 120.200 -0.115 0.000 2.344 308 E HA 0.460 4.810 4.350 -0.000 0.000 0.270 308 E C -1.852 174.657 176.600 -0.150 0.000 1.021 308 E CA -1.243 55.076 56.400 -0.135 0.000 0.887 308 E CB 1.163 30.757 29.700 -0.178 0.000 0.997 308 E HN 0.333 nan 8.360 nan 0.000 0.429 309 P HA 0.120 nan 4.420 nan 0.000 0.276 309 P C -0.710 176.516 177.300 -0.122 0.000 1.244 309 P CA -0.456 62.587 63.100 -0.097 0.000 0.801 309 P CB 0.750 32.416 31.700 -0.056 0.000 1.006 310 R N 1.076 121.528 120.500 -0.081 0.000 2.442 310 R HA 0.287 4.626 4.340 -0.000 0.000 0.291 310 R C 0.302 176.653 176.300 0.084 0.000 1.069 310 R CA -0.577 55.495 56.100 -0.047 0.000 1.022 310 R CB -0.114 30.156 30.300 -0.051 0.000 0.976 310 R HN 0.452 nan 8.270 nan 0.000 0.443 311 L N 3.212 124.432 121.223 -0.005 0.000 2.483 311 L HA 0.083 4.423 4.340 -0.000 0.000 0.276 311 L C -0.198 176.762 176.870 0.150 0.000 1.213 311 L CA 0.270 55.120 54.840 0.017 0.000 0.843 311 L CB -0.040 41.956 42.059 -0.104 0.000 1.107 311 L HN 0.573 nan 8.230 nan 0.000 0.487 312 Y N 2.643 122.910 120.300 -0.055 0.000 2.425 312 Y HA 0.394 4.944 4.550 -0.000 0.000 0.344 312 Y C -0.756 175.058 175.900 -0.143 0.000 0.969 312 Y CA -0.980 57.005 58.100 -0.191 0.000 1.052 312 Y CB 1.582 39.852 38.460 -0.317 0.000 1.215 312 Y HN 0.421 nan 8.280 nan 0.000 0.451 313 K N 6.455 126.419 120.400 -0.727 0.000 2.450 313 K HA 0.208 4.528 4.320 -0.000 0.000 0.257 313 K C -0.003 176.206 176.600 -0.651 0.000 0.953 313 K CA -0.655 55.347 56.287 -0.475 0.000 0.844 313 K CB 2.179 34.468 32.500 -0.353 0.000 1.103 313 K HN 0.673 nan 8.250 nan 0.000 0.429 314 L N 1.745 122.806 121.223 -0.270 0.000 2.083 314 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 314 L C 0.462 177.124 176.870 -0.347 0.000 1.083 314 L CA 1.882 56.600 54.840 -0.204 0.000 0.752 314 L CB -0.135 41.777 42.059 -0.245 0.000 0.899 314 L HN 0.636 nan 8.230 nan 0.000 0.433 315 D N -0.177 120.028 120.400 -0.325 0.000 2.398 315 D HA 0.381 5.021 4.640 -0.000 0.000 0.250 315 D C 1.081 176.982 176.300 -0.665 0.000 1.287 315 D CA 0.955 54.736 54.000 -0.365 0.000 0.992 315 D CB -0.287 40.417 40.800 -0.159 0.000 1.071 315 D HN 0.471 nan 8.370 nan 0.000 0.514 316 G N 2.803 110.704 108.800 -1.498 0.000 2.284 316 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.201 316 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.201 316 G C 0.645 174.970 174.900 -0.958 0.000 0.998 316 G CA 0.105 44.472 45.100 -1.222 0.000 0.651 316 G HN 1.484 nan 8.290 nan 0.000 0.489 317 A N -0.231 122.089 122.820 -0.834 0.000 2.416 317 A HA 0.189 4.509 4.320 -0.000 0.000 0.293 317 A C 0.503 177.902 177.584 -0.308 0.000 1.452 317 A CA 2.680 54.488 52.037 -0.382 0.000 0.738 317 A CB -1.899 17.087 19.000 -0.025 0.000 1.123 317 A HN 2.203 nan 8.150 nan 0.000 0.389 318 K N -0.797 119.182 120.400 -0.701 0.000 2.536 318 K HA 0.829 5.149 4.320 -0.000 0.000 0.269 318 K C -0.722 175.510 176.600 -0.614 0.000 0.965 318 K CA -1.106 54.914 56.287 -0.444 0.000 0.860 318 K CB 1.350 33.706 32.500 -0.240 0.000 1.423 318 K HN 0.109 nan 8.250 nan 0.000 0.438 319 F N 0.808 120.678 119.950 -0.134 0.000 2.368 319 F HA 0.336 4.862 4.527 -0.000 0.000 0.315 319 F C 0.796 176.567 175.800 -0.048 0.000 1.145 319 F CA 0.570 58.544 58.000 -0.043 0.000 1.095 319 F CB 1.252 40.277 39.000 0.042 0.000 1.286 319 F HN 0.911 nan 8.300 nan 0.000 0.530 320 D N -1.652 118.860 120.400 0.187 0.000 3.798 320 D HA 0.180 4.820 4.640 -0.000 0.000 0.296 320 D C -0.825 175.373 176.300 -0.170 0.000 1.489 320 D CA -0.222 53.811 54.000 0.055 0.000 0.988 320 D CB 0.891 41.656 40.800 -0.058 0.000 1.360 320 D HN 0.447 nan 8.370 nan 0.000 0.641 321 T N -0.304 113.841 114.554 -0.682 0.000 2.788 321 T HA 0.536 4.885 4.350 -0.000 0.000 0.280 321 T C -0.195 174.077 174.700 -0.714 0.000 0.984 321 T CA -0.278 61.097 62.100 -1.208 0.000 0.972 321 T CB 0.173 67.863 68.868 -1.964 0.000 1.039 321 T HN 0.177 nan 8.240 nan 0.000 0.530 322 I N 2.717 122.762 120.570 -0.875 0.000 2.362 322 I HA 0.351 4.521 4.170 -0.000 0.000 0.289 322 I C -0.030 175.654 176.117 -0.722 0.000 0.994 322 I CA -0.681 60.134 61.300 -0.808 0.000 1.158 322 I CB 1.626 38.951 38.000 -1.126 0.000 1.315 322 I HN 0.481 nan 8.210 nan 0.000 0.451 323 K N 7.524 127.642 120.400 -0.469 0.000 2.268 323 K HA 0.387 4.707 4.320 -0.000 0.000 0.276 323 K C -2.487 173.961 176.600 -0.254 0.000 1.080 323 K CA -1.699 54.388 56.287 -0.334 0.000 0.910 323 K CB 0.649 32.998 32.500 -0.251 0.000 1.163 323 K HN 0.195 nan 8.250 nan 0.000 0.465 324 P HA -0.046 nan 4.420 nan 0.000 0.265 324 P C 0.302 177.550 177.300 -0.087 0.000 1.193 324 P CA 0.056 63.073 63.100 -0.138 0.000 0.765 324 P CB 0.749 32.386 31.700 -0.105 0.000 0.823 325 E N 1.123 121.290 120.200 -0.054 0.000 2.122 325 E HA -0.035 4.314 4.350 -0.000 0.000 0.190 325 E C 0.461 177.059 176.600 -0.003 0.000 0.977 325 E CA 0.849 57.230 56.400 -0.032 0.000 0.820 325 E CB -0.100 29.585 29.700 -0.025 0.000 0.770 325 E HN 0.418 nan 8.360 nan 0.000 0.462 326 N N 1.663 120.378 118.700 0.026 0.000 2.437 326 N HA -0.008 4.732 4.740 -0.000 0.000 0.243 326 N C 0.789 176.332 175.510 0.055 0.000 1.041 326 N CA 0.063 53.144 53.050 0.052 0.000 0.940 326 N CB 1.018 39.559 38.487 0.090 0.000 1.133 326 N HN -0.034 nan 8.380 nan 0.000 0.506 327 K N 2.872 123.294 120.400 0.036 0.000 2.152 327 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 327 K C 0.984 177.621 176.600 0.062 0.000 1.048 327 K CA 1.440 57.745 56.287 0.030 0.000 0.933 327 K CB 0.367 32.878 32.500 0.019 0.000 0.721 327 K HN 0.597 nan 8.250 nan 0.000 0.447 328 E N -0.051 120.202 120.200 0.088 0.000 2.057 328 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 328 E C 2.002 178.723 176.600 0.201 0.000 0.969 328 E CA 0.530 57.004 56.400 0.122 0.000 0.812 328 E CB 0.120 29.879 29.700 0.098 0.000 0.777 328 E HN 0.218 nan 8.360 nan 0.000 0.455 329 I N 0.659 121.359 120.570 0.217 0.000 2.353 329 I HA -0.053 4.116 4.170 -0.000 0.000 0.248 329 I C 1.587 178.005 176.117 0.502 0.000 1.119 329 I CA 1.387 62.892 61.300 0.341 0.000 1.417 329 I CB -1.592 36.581 38.000 0.289 0.000 1.078 329 I HN 0.165 nan 8.210 nan 0.000 0.421 330 G N 0.292 109.269 108.800 0.294 0.000 2.693 330 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.226 330 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.226 330 G C -0.272 174.740 174.900 0.187 0.000 1.354 330 G CA -0.199 44.996 45.100 0.159 0.000 0.873 330 G HN 0.759 nan 8.290 nan 0.000 0.562 331 A N -1.055 121.802 122.820 0.062 0.000 2.340 331 A HA 0.777 5.096 4.320 -0.000 0.000 0.331 331 A C -0.988 176.702 177.584 0.177 0.000 1.140 331 A CA -0.232 51.883 52.037 0.130 0.000 0.801 331 A CB 1.034 20.010 19.000 -0.039 0.000 1.234 331 A HN 1.202 nan 8.150 nan 0.000 0.469 332 W N 0.530 121.984 121.300 0.258 0.000 2.656 332 W HA 0.602 5.262 4.660 -0.000 0.000 0.327 332 W C 0.077 176.711 176.519 0.191 0.000 1.041 332 W CA -0.067 57.443 57.345 0.275 0.000 1.229 332 W CB 1.665 31.244 29.460 0.198 0.000 1.397 332 W HN 0.761 nan 8.180 nan 0.000 0.479 333 E N 3.909 124.380 120.200 0.452 0.000 2.256 333 E HA 0.557 4.906 4.350 -0.000 0.000 0.268 333 E C -1.579 175.242 176.600 0.369 0.000 0.877 333 E CA -0.559 56.045 56.400 0.339 0.000 0.757 333 E CB 1.456 31.374 29.700 0.364 0.000 1.183 333 E HN 0.484 nan 8.360 nan 0.000 0.418 334 L N 4.847 126.268 121.223 0.329 0.000 2.334 334 L HA 0.659 4.999 4.340 -0.000 0.000 0.273 334 L C -0.528 176.562 176.870 0.366 0.000 1.013 334 L CA -1.037 53.990 54.840 0.311 0.000 0.816 334 L CB 0.978 43.191 42.059 0.257 0.000 1.278 334 L HN 0.533 nan 8.230 nan 0.000 0.431 335 F N 1.289 121.347 119.950 0.180 0.000 2.645 335 F HA 0.664 5.190 4.527 -0.000 0.000 0.310 335 F C -1.663 174.288 175.800 0.251 0.000 1.102 335 F CA -1.174 56.924 58.000 0.163 0.000 0.952 335 F CB 1.452 40.507 39.000 0.092 0.000 1.326 335 F HN 0.326 nan 8.300 nan 0.000 0.456 336 Y N 2.414 122.826 120.300 0.186 0.000 2.386 336 Y HA 0.666 5.215 4.550 -0.000 0.000 0.334 336 Y C -1.410 174.682 175.900 0.319 0.000 1.002 336 Y CA -1.382 56.798 58.100 0.133 0.000 1.068 336 Y CB 1.634 40.169 38.460 0.125 0.000 1.203 336 Y HN 0.986 nan 8.280 nan 0.000 0.443 337 R N 5.337 125.717 120.500 -0.199 0.000 2.534 337 R HA 0.413 4.752 4.340 -0.000 0.000 0.301 337 R C -2.215 173.811 176.300 -0.458 0.000 0.961 337 R CA -0.859 55.102 56.100 -0.232 0.000 0.871 337 R CB 1.374 31.706 30.300 0.053 0.000 1.170 337 R HN 0.783 nan 8.270 nan 0.000 0.446 338 Y N 2.757 122.762 120.300 -0.491 0.000 2.352 338 Y HA 0.376 4.926 4.550 -0.000 0.000 0.339 338 Y C -1.358 174.410 175.900 -0.222 0.000 0.992 338 Y CA -0.548 57.343 58.100 -0.349 0.000 1.100 338 Y CB 1.540 39.866 38.460 -0.223 0.000 1.192 338 Y HN 0.629 nan 8.280 nan 0.000 0.458 339 D N 2.787 122.680 120.400 -0.846 0.000 2.481 339 D HA 0.510 5.150 4.640 -0.000 0.000 0.244 339 D C -1.368 174.339 176.300 -0.989 0.000 1.057 339 D CA -0.522 53.055 54.000 -0.705 0.000 0.848 339 D CB 2.050 42.605 40.800 -0.409 0.000 1.388 339 D HN 0.349 nan 8.370 nan 0.000 0.475 340 S N 1.378 116.596 115.700 -0.803 0.000 2.668 340 S HA 0.698 5.167 4.470 -0.000 0.000 0.277 340 S C -1.240 173.182 174.600 -0.297 0.000 1.170 340 S CA -0.748 57.110 58.200 -0.571 0.000 0.994 340 S CB 0.115 62.994 63.200 -0.536 0.000 1.051 340 S HN 0.472 nan 8.310 nan 0.000 0.484 341 I N 1.260 121.737 120.570 -0.155 0.000 2.828 341 I HA 0.758 4.928 4.170 -0.000 0.000 0.302 341 I C -1.088 175.062 176.117 0.055 0.000 1.101 341 I CA -0.993 60.272 61.300 -0.058 0.000 1.031 341 I CB 2.238 40.166 38.000 -0.121 0.000 1.231 341 I HN 0.592 nan 8.210 nan 0.000 0.427 342 K N 3.723 124.173 120.400 0.085 0.000 2.482 342 K HA 0.720 5.039 4.320 -0.000 0.000 0.251 342 K C -2.136 174.545 176.600 0.136 0.000 0.936 342 K CA -0.613 55.751 56.287 0.128 0.000 0.791 342 K CB 2.641 35.210 32.500 0.116 0.000 1.213 342 K HN 0.633 nan 8.250 nan 0.000 0.428 343 V N 3.825 123.848 119.914 0.181 0.000 2.444 343 V HA 0.309 4.429 4.120 -0.000 0.000 0.294 343 V C -1.003 175.165 176.094 0.125 0.000 1.022 343 V CA -0.771 61.628 62.300 0.166 0.000 0.850 343 V CB 1.628 33.605 31.823 0.256 0.000 0.992 343 V HN 0.803 nan 8.190 nan 0.000 0.426 344 E N 3.471 123.736 120.200 0.107 0.000 2.092 344 E HA 0.444 4.794 4.350 -0.000 0.000 0.271 344 E C -1.148 175.515 176.600 0.106 0.000 0.919 344 E CA -0.480 55.978 56.400 0.096 0.000 0.760 344 E CB 1.803 31.558 29.700 0.093 0.000 1.106 344 E HN 0.535 nan 8.360 nan 0.000 0.408 345 D N 3.083 123.544 120.400 0.102 0.000 2.375 345 D HA 0.118 4.758 4.640 -0.000 0.000 0.259 345 D C -0.459 175.899 176.300 0.096 0.000 1.235 345 D CA -0.459 53.612 54.000 0.120 0.000 0.924 345 D CB 0.874 41.753 40.800 0.133 0.000 1.143 345 D HN 0.189 nan 8.370 nan 0.000 0.529 346 D N 1.521 121.977 120.400 0.094 0.000 2.378 346 D HA -0.021 4.618 4.640 -0.000 0.000 0.227 346 D C 1.274 177.610 176.300 0.060 0.000 1.012 346 D CA 0.222 54.264 54.000 0.069 0.000 0.905 346 D CB 0.309 41.148 40.800 0.065 0.000 0.895 346 D HN 0.397 nan 8.370 nan 0.000 0.532 347 N N 0.194 118.937 118.700 0.071 0.000 2.459 347 N HA -0.041 4.699 4.740 -0.000 0.000 0.181 347 N C 0.510 176.045 175.510 0.043 0.000 1.046 347 N CA 0.295 53.375 53.050 0.050 0.000 0.904 347 N CB 0.667 39.186 38.487 0.055 0.000 0.964 347 N HN 0.302 nan 8.380 nan 0.000 0.444 348 I N 2.005 122.606 120.570 0.050 0.000 2.347 348 I HA -0.013 4.157 4.170 -0.000 0.000 0.294 348 I C 1.287 177.422 176.117 0.029 0.000 1.090 348 I CA -0.249 61.074 61.300 0.038 0.000 1.314 348 I CB 0.900 38.924 38.000 0.040 0.000 1.423 348 I HN -0.148 nan 8.210 nan 0.000 0.503 349 V N 4.495 124.422 119.914 0.022 0.000 3.604 349 V HA 0.237 4.357 4.120 -0.000 0.000 0.277 349 V C 0.327 176.430 176.094 0.014 0.000 1.399 349 V CA -0.128 62.183 62.300 0.018 0.000 1.034 349 V CB 0.214 32.047 31.823 0.016 0.000 0.824 349 V HN 0.436 nan 8.190 nan 0.000 0.439 350 V N -2.001 117.921 119.914 0.013 0.000 2.735 350 V HA 0.685 4.805 4.120 -0.000 0.000 0.310 350 V C -0.937 175.162 176.094 0.009 0.000 1.061 350 V CA -0.702 61.604 62.300 0.010 0.000 0.913 350 V CB 1.695 33.524 31.823 0.009 0.000 1.005 350 V HN 0.112 nan 8.190 nan 0.000 0.428 351 D N 2.825 123.229 120.400 0.007 0.000 2.399 351 D HA 0.487 5.127 4.640 -0.000 0.000 0.241 351 D C 0.532 176.835 176.300 0.006 0.000 1.133 351 D CA 0.481 54.484 54.000 0.005 0.000 0.890 351 D CB 1.669 42.471 40.800 0.004 0.000 1.201 351 D HN 1.027 nan 8.370 nan 0.000 0.432 352 S N -0.226 115.477 115.700 0.005 0.000 2.806 352 S HA 0.650 5.119 4.470 -0.000 0.000 0.315 352 S C 0.996 175.600 174.600 0.005 0.000 1.127 352 S CA -0.262 57.942 58.200 0.006 0.000 0.918 352 S CB 1.461 64.666 63.200 0.009 0.000 1.240 352 S HN 0.306 nan 8.310 nan 0.000 0.552 353 A N 0.500 123.324 122.820 0.006 0.000 2.019 353 A HA 0.064 4.384 4.320 -0.000 0.000 0.219 353 A C 1.990 179.578 177.584 0.007 0.000 1.164 353 A CA 2.040 54.081 52.037 0.007 0.000 0.644 353 A CB -1.390 17.614 19.000 0.007 0.000 0.805 353 A HN 1.276 nan 8.150 nan 0.000 0.449 354 T N -4.923 109.635 114.554 0.007 0.000 3.003 354 T HA 0.422 4.772 4.350 -0.000 0.000 0.261 354 T C 0.409 175.109 174.700 -0.001 0.000 1.003 354 T CA -0.033 62.073 62.100 0.009 0.000 0.917 354 T CB 0.135 69.009 68.868 0.010 0.000 1.084 354 T HN 0.233 nan 8.240 nan 0.000 0.522 355 R N 1.553 122.048 120.500 -0.008 0.000 2.514 355 R HA 0.484 4.824 4.340 -0.000 0.000 0.296 355 R C -1.619 174.669 176.300 -0.020 0.000 1.012 355 R CA -0.378 55.707 56.100 -0.025 0.000 0.897 355 R CB 1.253 31.542 30.300 -0.018 0.000 1.184 355 R HN 0.298 nan 8.270 nan 0.000 0.440 356 E N 2.789 122.971 120.200 -0.030 0.000 2.231 356 E HA 0.275 4.625 4.350 -0.000 0.000 0.277 356 E C -0.381 176.209 176.600 -0.016 0.000 0.999 356 E CA -1.154 55.235 56.400 -0.019 0.000 0.827 356 E CB 1.970 31.658 29.700 -0.020 0.000 1.101 356 E HN 0.258 nan 8.360 nan 0.000 0.393 357 V N 2.584 122.496 119.914 -0.004 0.000 2.644 357 V HA 0.287 4.407 4.120 -0.000 0.000 0.305 357 V C 0.828 176.924 176.094 0.003 0.000 1.053 357 V CA 1.442 63.744 62.300 0.004 0.000 1.186 357 V CB -0.085 31.744 31.823 0.010 0.000 0.895 357 V HN 0.966 nan 8.190 nan 0.000 0.490 358 G N 4.537 113.343 108.800 0.009 0.000 2.343 358 G HA2 -0.011 3.948 3.960 -0.000 0.000 0.465 358 G HA3 -0.011 3.948 3.960 -0.000 0.000 0.465 358 G C -1.330 173.576 174.900 0.010 0.000 1.282 358 G CA -0.862 44.245 45.100 0.012 0.000 0.996 358 G HN 0.599 nan 8.290 nan 0.000 0.521 359 D N 1.165 121.577 120.400 0.018 0.000 2.371 359 D HA 0.527 5.167 4.640 -0.000 0.000 0.256 359 D C 0.865 177.159 176.300 -0.010 0.000 1.193 359 D CA 1.057 55.074 54.000 0.027 0.000 0.881 359 D CB 1.316 42.145 40.800 0.048 0.000 1.143 359 D HN 0.903 nan 8.370 nan 0.000 0.473 360 A N 3.650 126.451 122.820 -0.033 0.000 2.409 360 A HA 0.364 4.684 4.320 -0.000 0.000 0.262 360 A C 0.318 177.880 177.584 -0.037 0.000 1.113 360 A CA -0.245 51.688 52.037 -0.174 0.000 0.790 360 A CB 0.412 19.172 19.000 -0.400 0.000 1.046 360 A HN 0.445 nan 8.150 nan 0.000 0.496 361 K N 1.036 121.392 120.400 -0.073 0.000 2.375 361 K HA 0.686 5.006 4.320 -0.000 0.000 0.249 361 K C -0.253 176.428 176.600 0.135 0.000 0.942 361 K CA -0.543 55.797 56.287 0.088 0.000 0.806 361 K CB 2.693 35.217 32.500 0.039 0.000 1.227 361 K HN 0.835 nan 8.250 nan 0.000 0.430 362 G N 1.625 110.541 108.800 0.194 0.000 2.701 362 G HA2 0.529 4.488 3.960 -0.000 0.000 0.300 362 G HA3 0.529 4.488 3.960 -0.000 0.000 0.300 362 G C -1.651 173.198 174.900 -0.085 0.000 1.410 362 G CA -0.749 44.403 45.100 0.086 0.000 1.014 362 G HN 0.550 nan 8.290 nan 0.000 0.509 363 K N -0.349 119.961 120.400 -0.149 0.000 2.464 363 K HA 0.838 5.158 4.320 -0.000 0.000 0.253 363 K C -0.945 175.495 176.600 -0.268 0.000 0.933 363 K CA -0.855 55.256 56.287 -0.294 0.000 0.801 363 K CB 2.331 34.687 32.500 -0.240 0.000 1.271 363 K HN 0.605 nan 8.250 nan 0.000 0.430 364 T N -1.135 113.178 114.554 -0.401 0.000 2.900 364 T HA 0.395 4.745 4.350 -0.000 0.000 0.295 364 T C -0.789 173.736 174.700 -0.292 0.000 1.044 364 T CA -0.890 61.083 62.100 -0.212 0.000 0.995 364 T CB 1.153 69.963 68.868 -0.096 0.000 1.072 364 T HN 0.596 nan 8.240 nan 0.000 0.473 365 H N 1.423 120.576 119.070 0.139 0.000 2.511 365 H HA 0.487 5.043 4.556 -0.000 0.000 0.328 365 H C -0.478 174.986 175.328 0.228 0.000 1.044 365 H CA -0.522 55.697 56.048 0.285 0.000 1.212 365 H CB 1.742 31.737 29.762 0.388 0.000 1.428 365 H HN 0.664 nan 8.280 nan 0.000 0.483 366 T N 5.078 119.802 114.554 0.283 0.000 2.786 366 T HA 0.409 4.758 4.350 -0.000 0.000 0.283 366 T C 0.277 175.085 174.700 0.181 0.000 0.992 366 T CA -0.628 61.603 62.100 0.219 0.000 0.954 366 T CB 1.078 70.063 68.868 0.195 0.000 0.934 366 T HN 0.286 nan 8.240 nan 0.000 0.440 367 L N 2.726 124.003 121.223 0.091 0.000 2.341 367 L HA 0.835 5.174 4.340 -0.000 0.000 0.278 367 L C 0.449 177.166 176.870 -0.255 0.000 1.005 367 L CA -0.428 54.352 54.840 -0.099 0.000 0.818 367 L CB 1.854 43.918 42.059 0.009 0.000 1.259 367 L HN 0.843 nan 8.230 nan 0.000 0.418 368 G N 1.702 110.067 108.800 -0.726 0.000 2.690 368 G HA2 0.605 4.565 3.960 -0.000 0.000 0.291 368 G HA3 0.605 4.565 3.960 -0.000 0.000 0.291 368 G C -2.209 172.638 174.900 -0.087 0.000 1.403 368 G CA -0.513 44.329 45.100 -0.430 0.000 0.864 368 G HN 0.360 nan 8.290 nan 0.000 0.480 369 V N 0.600 120.636 119.914 0.203 0.000 2.638 369 V HA 0.692 4.812 4.120 -0.000 0.000 0.306 369 V C -1.509 174.757 176.094 0.287 0.000 1.052 369 V CA -1.130 61.351 62.300 0.301 0.000 0.885 369 V CB 2.037 34.057 31.823 0.329 0.000 0.999 369 V HN 0.676 nan 8.190 nan 0.000 0.424 370 N N 5.268 124.120 118.700 0.254 0.000 2.372 370 N HA 0.356 5.096 4.740 -0.000 0.000 0.285 370 N C -1.692 173.766 175.510 -0.086 0.000 1.008 370 N CA -0.223 52.828 53.050 0.002 0.000 0.880 370 N CB 2.094 40.496 38.487 -0.143 0.000 1.239 370 N HN 0.841 nan 8.380 nan 0.000 0.484 371 W N 4.388 125.370 121.300 -0.529 0.000 2.296 371 W HA 0.378 5.037 4.660 -0.000 0.000 0.316 371 W C -1.217 174.944 176.519 -0.596 0.000 1.022 371 W CA -1.032 55.797 57.345 -0.859 0.000 1.324 371 W CB 0.054 28.763 29.460 -1.251 0.000 1.227 371 W HN 0.406 nan 8.180 nan 0.000 0.409 372 Y N 6.224 126.141 120.300 -0.639 0.000 2.600 372 Y HA 0.331 4.881 4.550 -0.000 0.000 0.351 372 Y C 1.466 176.753 175.900 -1.022 0.000 1.042 372 Y CA 0.137 57.860 58.100 -0.627 0.000 1.333 372 Y CB 0.345 38.603 38.460 -0.337 0.000 1.172 372 Y HN 0.634 nan 8.280 nan 0.000 0.517 373 A N 3.319 125.326 122.820 -1.355 0.000 1.933 373 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 373 A C 0.735 177.999 177.584 -0.533 0.000 1.175 373 A CA 2.091 53.301 52.037 -1.378 0.000 0.628 373 A CB -0.467 17.707 19.000 -1.377 0.000 0.814 373 A HN 0.903 nan 8.150 nan 0.000 0.444 374 N N -3.921 114.547 118.700 -0.388 0.000 3.441 374 N HA 0.135 4.875 4.740 -0.000 0.000 0.313 374 N C -0.281 175.136 175.510 -0.155 0.000 1.526 374 N CA -0.191 52.730 53.050 -0.214 0.000 0.871 374 N CB -0.076 38.303 38.487 -0.181 0.000 1.779 374 N HN -0.038 nan 8.380 nan 0.000 0.529 375 E N -0.912 119.221 120.200 -0.113 0.000 2.418 375 E HA 0.055 4.405 4.350 -0.000 0.000 0.197 375 E C 0.904 177.523 176.600 0.031 0.000 1.026 375 E CA 0.908 57.277 56.400 -0.052 0.000 0.862 375 E CB -0.050 29.607 29.700 -0.071 0.000 0.799 375 E HN 0.549 nan 8.360 nan 0.000 0.518 376 A N 0.606 123.365 122.820 -0.102 0.000 1.956 376 A HA 0.102 4.422 4.320 -0.000 0.000 0.212 376 A C 1.047 178.439 177.584 -0.321 0.000 1.188 376 A CA 0.215 52.124 52.037 -0.212 0.000 0.675 376 A CB 0.670 19.421 19.000 -0.416 0.000 0.845 376 A HN 0.024 nan 8.150 nan 0.000 0.455 377 V N 0.776 120.484 119.914 -0.342 0.000 2.448 377 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 377 V C -0.400 175.487 176.094 -0.345 0.000 1.025 377 V CA -0.643 61.439 62.300 -0.364 0.000 0.859 377 V CB 1.465 33.040 31.823 -0.413 0.000 0.988 377 V HN 0.428 nan 8.190 nan 0.000 0.431 378 K N 3.965 124.196 120.400 -0.281 0.000 2.471 378 K HA 0.760 5.080 4.320 -0.000 0.000 0.252 378 K C -1.763 174.688 176.600 -0.249 0.000 0.938 378 K CA -0.486 55.585 56.287 -0.359 0.000 0.796 378 K CB 2.171 34.469 32.500 -0.336 0.000 1.161 378 K HN 0.462 nan 8.250 nan 0.000 0.425 379 V N 2.739 122.528 119.914 -0.207 0.000 2.459 379 V HA 0.501 4.621 4.120 -0.000 0.000 0.295 379 V C -0.638 175.444 176.094 -0.021 0.000 1.029 379 V CA -0.657 61.629 62.300 -0.024 0.000 0.874 379 V CB 1.644 33.577 31.823 0.184 0.000 0.985 379 V HN 0.844 nan 8.190 nan 0.000 0.438 380 S N 2.372 118.072 115.700 -0.000 0.000 2.570 380 S HA 0.923 5.392 4.470 -0.000 0.000 0.286 380 S C -0.496 174.141 174.600 0.063 0.000 1.099 380 S CA -0.551 57.669 58.200 0.034 0.000 0.913 380 S CB 2.078 65.281 63.200 0.005 0.000 1.085 380 S HN 1.156 nan 8.310 nan 0.000 0.480 381 A N 2.214 125.096 122.820 0.105 0.000 2.398 381 A HA 0.718 5.038 4.320 -0.000 0.000 0.301 381 A C -1.029 176.608 177.584 0.088 0.000 1.041 381 A CA -0.815 51.255 52.037 0.055 0.000 0.711 381 A CB 0.893 19.923 19.000 0.049 0.000 1.240 381 A HN 0.825 nan 8.150 nan 0.000 0.420 382 N N 0.942 119.653 118.700 0.018 0.000 2.314 382 N HA 0.509 5.248 4.740 -0.000 0.000 0.294 382 N C -1.802 173.685 175.510 -0.037 0.000 1.029 382 N CA -0.286 52.809 53.050 0.075 0.000 0.845 382 N CB 1.737 40.305 38.487 0.136 0.000 1.321 382 N HN 0.648 nan 8.380 nan 0.000 0.481 383 Y N 0.947 121.268 120.300 0.036 0.000 2.328 383 Y HA 0.417 4.967 4.550 -0.000 0.000 0.337 383 Y C 0.052 176.006 175.900 0.089 0.000 1.008 383 Y CA -0.834 57.301 58.100 0.058 0.000 1.129 383 Y CB 1.253 39.743 38.460 0.049 0.000 1.185 383 Y HN 0.100 nan 8.280 nan 0.000 0.476 384 V N 3.954 124.010 119.914 0.236 0.000 2.604 384 V HA 0.434 4.553 4.120 -0.000 0.000 0.305 384 V C -0.609 175.663 176.094 0.298 0.000 1.043 384 V CA -1.375 61.067 62.300 0.238 0.000 0.888 384 V CB 1.844 33.769 31.823 0.171 0.000 0.995 384 V HN 0.633 nan 8.190 nan 0.000 0.429 385 K N 2.851 123.428 120.400 0.296 0.000 2.413 385 K HA 0.809 5.128 4.320 -0.000 0.000 0.257 385 K C -0.643 176.092 176.600 0.225 0.000 0.946 385 K CA -0.379 56.072 56.287 0.274 0.000 0.823 385 K CB 1.742 34.391 32.500 0.249 0.000 1.109 385 K HN 0.906 nan 8.250 nan 0.000 0.427 386 A N 3.529 126.421 122.820 0.121 0.000 2.324 386 A HA 0.626 4.946 4.320 -0.000 0.000 0.330 386 A C -1.182 176.348 177.584 -0.090 0.000 1.165 386 A CA -0.616 51.395 52.037 -0.045 0.000 0.813 386 A CB 1.233 20.073 19.000 -0.266 0.000 1.197 386 A HN 0.590 nan 8.150 nan 0.000 0.484 387 K N 0.913 121.244 120.400 -0.114 0.000 2.507 387 K HA 0.604 4.923 4.320 -0.000 0.000 0.251 387 K C -0.479 176.011 176.600 -0.184 0.000 0.943 387 K CA 0.032 56.252 56.287 -0.112 0.000 0.794 387 K CB 1.564 34.068 32.500 0.007 0.000 1.188 387 K HN 0.881 nan 8.250 nan 0.000 0.428 388 T N -0.377 114.022 114.554 -0.257 0.000 2.942 388 T HA 0.650 4.999 4.350 -0.000 0.000 0.289 388 T C -1.036 173.566 174.700 -0.163 0.000 1.044 388 T CA -0.748 61.190 62.100 -0.271 0.000 1.023 388 T CB 1.630 70.185 68.868 -0.522 0.000 1.123 388 T HN 0.411 nan 8.240 nan 0.000 0.512 389 D N -0.177 120.129 120.400 -0.157 0.000 2.863 389 D HA 0.365 5.005 4.640 -0.000 0.000 0.245 389 D C -0.111 176.103 176.300 -0.144 0.000 1.211 389 D CA -0.448 53.489 54.000 -0.105 0.000 0.888 389 D CB 0.954 41.722 40.800 -0.053 0.000 1.483 389 D HN 0.655 nan 8.370 nan 0.000 0.533 390 K N 1.001 121.338 120.400 -0.105 0.000 3.547 390 K HA -0.213 4.107 4.320 -0.000 0.000 0.309 390 K C -0.201 176.315 176.600 -0.140 0.000 1.324 390 K CA 0.699 56.925 56.287 -0.102 0.000 0.988 390 K CB -1.847 30.597 32.500 -0.093 0.000 1.261 390 K HN 0.649 nan 8.250 nan 0.000 0.444 391 I N 0.196 120.661 120.570 -0.174 0.000 2.722 391 I HA 0.371 4.541 4.170 -0.000 0.000 0.295 391 I C -0.449 175.679 176.117 0.017 0.000 1.161 391 I CA -0.287 60.931 61.300 -0.137 0.000 1.032 391 I CB 2.073 39.864 38.000 -0.350 0.000 1.244 391 I HN 0.234 nan 8.210 nan 0.000 0.421 392 S N 3.987 119.761 115.700 0.124 0.000 2.705 392 S HA 0.592 5.062 4.470 -0.000 0.000 0.280 392 S C -0.994 173.681 174.600 0.125 0.000 1.174 392 S CA -0.932 57.397 58.200 0.216 0.000 0.823 392 S CB 1.439 64.698 63.200 0.098 0.000 1.162 392 S HN 0.757 nan 8.310 nan 0.000 0.487 393 N N 0.464 119.186 118.700 0.036 0.000 2.366 393 N HA 0.518 5.258 4.740 -0.000 0.000 0.277 393 N C 1.230 176.729 175.510 -0.019 0.000 1.275 393 N CA -0.191 52.808 53.050 -0.085 0.000 0.964 393 N CB -0.303 38.098 38.487 -0.143 0.000 1.167 393 N HN 0.889 nan 8.380 nan 0.000 0.568 394 A N -0.658 122.148 122.820 -0.024 0.000 2.015 394 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 394 A C 1.832 179.418 177.584 0.004 0.000 1.163 394 A CA 1.486 53.519 52.037 -0.006 0.000 0.646 394 A CB -1.078 17.918 19.000 -0.007 0.000 0.806 394 A HN 0.789 nan 8.150 nan 0.000 0.448 395 N N -0.963 117.740 118.700 0.006 0.000 2.494 395 N HA 0.107 4.847 4.740 -0.000 0.000 0.182 395 N C 1.062 176.586 175.510 0.022 0.000 1.076 395 N CA 1.409 54.468 53.050 0.015 0.000 0.908 395 N CB -0.004 38.494 38.487 0.018 0.000 0.967 395 N HN 0.596 nan 8.380 nan 0.000 0.449 396 G N -0.513 108.303 108.800 0.027 0.000 2.157 396 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.239 396 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.239 396 G C -0.820 174.110 174.900 0.051 0.000 0.982 396 G CA 0.032 45.153 45.100 0.035 0.000 0.650 396 G HN 0.371 nan 8.290 nan 0.000 0.527 397 D N 1.223 121.663 120.400 0.068 0.000 2.351 397 D HA 0.365 5.005 4.640 -0.000 0.000 0.251 397 D C 0.788 177.177 176.300 0.148 0.000 1.137 397 D CA 0.483 54.538 54.000 0.091 0.000 0.879 397 D CB 1.227 42.084 40.800 0.095 0.000 1.181 397 D HN 0.417 nan 8.370 nan 0.000 0.448 398 D N -0.911 119.540 120.400 0.085 0.000 2.440 398 D HA -0.028 4.612 4.640 -0.000 0.000 0.216 398 D C -0.105 176.164 176.300 -0.052 0.000 1.150 398 D CA -0.355 53.658 54.000 0.021 0.000 0.832 398 D CB 0.106 40.895 40.800 -0.019 0.000 0.992 398 D HN 0.151 nan 8.370 nan 0.000 0.502 399 S N -1.497 114.213 115.700 0.017 0.000 2.546 399 S HA 0.819 5.289 4.470 -0.000 0.000 0.274 399 S C -0.154 174.466 174.600 0.033 0.000 1.121 399 S CA -0.551 57.642 58.200 -0.011 0.000 0.887 399 S CB 2.321 65.532 63.200 0.018 0.000 1.094 399 S HN 0.279 nan 8.310 nan 0.000 0.474 400 G N 0.475 109.260 108.800 -0.025 0.000 2.690 400 G HA2 0.663 4.623 3.960 -0.000 0.000 0.293 400 G HA3 0.663 4.623 3.960 -0.000 0.000 0.293 400 G C -2.165 172.862 174.900 0.212 0.000 1.399 400 G CA -0.687 44.428 45.100 0.024 0.000 0.890 400 G HN 0.676 nan 8.290 nan 0.000 0.485 401 D N -0.716 119.925 120.400 0.401 0.000 2.671 401 D HA 0.641 5.281 4.640 -0.000 0.000 0.232 401 D C -0.314 176.237 176.300 0.419 0.000 1.114 401 D CA -0.175 54.059 54.000 0.390 0.000 0.858 401 D CB 2.513 43.459 40.800 0.243 0.000 1.544 401 D HN 0.727 nan 8.370 nan 0.000 0.471 402 G N 0.278 109.246 108.800 0.281 0.000 2.696 402 G HA2 0.537 4.497 3.960 -0.000 0.000 0.295 402 G HA3 0.537 4.497 3.960 -0.000 0.000 0.295 402 G C -1.945 172.977 174.900 0.036 0.000 1.398 402 G CA -0.482 44.686 45.100 0.113 0.000 0.920 402 G HN 0.286 nan 8.290 nan 0.000 0.492 403 L N 1.791 122.985 121.223 -0.049 0.000 2.406 403 L HA 0.824 5.164 4.340 -0.000 0.000 0.272 403 L C -1.138 175.629 176.870 -0.171 0.000 0.980 403 L CA -1.043 53.667 54.840 -0.215 0.000 0.831 403 L CB 1.802 43.670 42.059 -0.318 0.000 1.253 403 L HN 0.609 nan 8.230 nan 0.000 0.406 404 V N 6.520 126.334 119.914 -0.166 0.000 2.656 404 V HA 0.688 4.807 4.120 -0.000 0.000 0.307 404 V C -0.668 175.374 176.094 -0.086 0.000 1.051 404 V CA -0.493 61.742 62.300 -0.108 0.000 0.893 404 V CB 2.057 33.842 31.823 -0.064 0.000 0.999 404 V HN 0.894 nan 8.190 nan 0.000 0.426 405 M N 6.249 125.819 119.600 -0.049 0.000 2.598 405 M HA 0.662 5.142 4.480 -0.000 0.000 0.317 405 M C -0.678 175.603 176.300 -0.032 0.000 1.179 405 M CA -0.693 54.597 55.300 -0.017 0.000 0.936 405 M CB 2.408 35.021 32.600 0.022 0.000 1.713 405 M HN 0.652 nan 8.290 nan 0.000 0.460 406 R N 1.940 122.424 120.500 -0.028 0.000 2.621 406 R HA 0.660 5.000 4.340 -0.000 0.000 0.284 406 R C -2.204 174.076 176.300 -0.033 0.000 0.998 406 R CA -0.773 55.294 56.100 -0.055 0.000 0.895 406 R CB 1.859 32.116 30.300 -0.071 0.000 1.195 406 R HN 0.654 nan 8.270 nan 0.000 0.450 407 L N 3.532 124.740 121.223 -0.026 0.000 2.287 407 L HA 0.427 4.767 4.340 -0.000 0.000 0.287 407 L C -0.967 175.901 176.870 -0.003 0.000 1.022 407 L CA 0.048 54.886 54.840 -0.002 0.000 0.814 407 L CB 1.595 43.675 42.059 0.035 0.000 1.217 407 L HN 0.732 nan 8.230 nan 0.000 0.420 408 Q N 4.275 124.053 119.800 -0.037 0.000 2.337 408 Q HA 0.363 4.703 4.340 -0.000 0.000 0.266 408 Q C -2.081 173.926 176.000 0.012 0.000 1.023 408 Q CA -0.674 55.102 55.803 -0.045 0.000 0.829 408 Q CB 1.709 30.360 28.738 -0.146 0.000 1.306 408 Q HN 0.750 nan 8.270 nan 0.000 0.449 409 Y N 3.922 124.186 120.300 -0.060 0.000 2.338 409 Y HA 0.523 5.073 4.550 -0.000 0.000 0.333 409 Y C -1.167 174.743 175.900 0.018 0.000 0.968 409 Y CA -1.005 57.091 58.100 -0.007 0.000 1.123 409 Y CB 1.566 40.043 38.460 0.028 0.000 1.165 409 Y HN 0.551 nan 8.280 nan 0.000 0.452 410 V N 4.280 124.328 119.914 0.224 0.000 2.628 410 V HA 0.795 4.915 4.120 -0.000 0.000 0.306 410 V C -1.066 175.226 176.094 0.329 0.000 1.045 410 V CA -0.766 61.614 62.300 0.133 0.000 0.905 410 V CB 1.410 33.166 31.823 -0.111 0.000 0.997 410 V HN 0.708 nan 8.190 nan 0.000 0.436 411 F N 0.000 120.011 119.950 0.102 0.000 2.286 411 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 411 F CA 0.000 58.053 58.000 0.088 0.000 1.383 411 F CB 0.000 39.073 39.000 0.122 0.000 1.145 411 F HN 0.000 nan 8.300 nan 0.000 0.574