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_C 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 0.006 0.000 0.946 1 G CA 0.000 45.103 45.100 0.005 0.000 0.502 2 T N -2.373 112.184 114.554 0.006 0.000 2.902 2 T HA 0.694 5.044 4.350 0.000 0.000 0.280 2 T C -0.459 174.246 174.700 0.007 0.000 0.992 2 T CA -0.663 61.441 62.100 0.007 0.000 1.015 2 T CB 1.763 70.635 68.868 0.006 0.000 1.044 2 T HN 1.018 nan 8.240 nan 0.000 0.520 3 V N 2.351 122.270 119.914 0.009 0.000 2.482 3 V HA 0.646 4.766 4.120 0.000 0.000 0.295 3 V C 0.299 176.399 176.094 0.010 0.000 1.026 3 V CA -0.628 61.678 62.300 0.010 0.000 0.856 3 V CB 1.171 33.002 31.823 0.014 0.000 1.001 3 V HN 1.379 nan 8.190 nan 0.000 0.424 4 T N 0.443 115.001 114.554 0.008 0.000 2.831 4 T HA 0.775 5.125 4.350 0.000 0.000 0.287 4 T C -0.464 174.239 174.700 0.005 0.000 1.070 4 T CA -0.782 61.323 62.100 0.007 0.000 1.010 4 T CB 2.302 71.173 68.868 0.005 0.000 1.264 4 T HN 0.555 nan 8.240 nan 0.000 0.532 5 T N -1.018 113.538 114.554 0.004 0.000 2.906 5 T HA 0.437 4.787 4.350 0.000 0.000 0.295 5 T C -0.187 174.511 174.700 -0.004 0.000 1.075 5 T CA -0.558 61.541 62.100 -0.002 0.000 1.005 5 T CB 1.705 70.574 68.868 0.002 0.000 1.136 5 T HN 0.598 nan 8.240 nan 0.000 0.498 6 D N 1.561 121.952 120.400 -0.014 0.000 2.183 6 D HA 0.170 4.810 4.640 0.000 0.000 0.205 6 D C 1.423 177.718 176.300 -0.008 0.000 0.962 6 D CA 0.810 54.802 54.000 -0.013 0.000 0.849 6 D CB -0.222 40.564 40.800 -0.023 0.000 0.978 6 D HN 0.640 nan 8.370 nan 0.000 0.488 7 G N 0.452 109.243 108.800 -0.015 0.000 2.873 7 G HA2 0.430 4.390 3.960 0.000 0.000 0.170 7 G HA3 0.430 4.390 3.960 0.000 0.000 0.170 7 G C 0.082 174.997 174.900 0.026 0.000 1.608 7 G CA 0.304 45.404 45.100 0.001 0.000 1.084 7 G HN 0.287 nan 8.290 nan 0.000 0.563 8 A N -0.703 122.148 122.820 0.051 0.000 2.346 8 A HA 0.460 4.780 4.320 0.000 0.000 0.252 8 A C -0.068 177.545 177.584 0.048 0.000 1.089 8 A CA -0.318 51.754 52.037 0.059 0.000 0.797 8 A CB -0.073 18.980 19.000 0.087 0.000 1.047 8 A HN 0.491 nan 8.150 nan 0.000 0.494 9 D N -0.052 120.372 120.400 0.041 0.000 2.506 9 D HA 0.218 4.858 4.640 0.000 0.000 0.234 9 D C -0.239 176.088 176.300 0.044 0.000 1.143 9 D CA 1.196 55.218 54.000 0.036 0.000 0.871 9 D CB 0.313 41.131 40.800 0.030 0.000 1.190 9 D HN 0.352 nan 8.370 nan 0.000 0.459 10 I N 1.247 121.841 120.570 0.040 0.000 2.569 10 I HA 0.250 4.420 4.170 0.000 0.000 0.296 10 I C -0.469 175.673 176.117 0.042 0.000 1.028 10 I CA -0.985 60.343 61.300 0.047 0.000 1.082 10 I CB 2.116 40.144 38.000 0.047 0.000 1.264 10 I HN -0.058 nan 8.210 nan 0.000 0.429 11 V N 6.452 126.394 119.914 0.045 0.000 2.495 11 V HA 0.491 4.611 4.120 0.000 0.000 0.298 11 V C -0.190 175.932 176.094 0.046 0.000 1.031 11 V CA -0.588 61.735 62.300 0.039 0.000 0.871 11 V CB 1.741 33.582 31.823 0.031 0.000 0.988 11 V HN 0.540 nan 8.190 nan 0.000 0.432 12 I N 2.158 122.754 120.570 0.043 0.000 2.562 12 I HA 0.803 4.973 4.170 0.000 0.000 0.301 12 I C -0.563 175.578 176.117 0.039 0.000 1.003 12 I CA -0.613 60.717 61.300 0.050 0.000 1.127 12 I CB 1.936 39.969 38.000 0.056 0.000 1.304 12 I HN 0.459 nan 8.210 nan 0.000 0.446 13 K N 2.515 122.939 120.400 0.040 0.000 2.498 13 K HA 0.637 4.957 4.320 0.000 0.000 0.254 13 K C -1.214 175.408 176.600 0.037 0.000 0.933 13 K CA -0.842 55.464 56.287 0.031 0.000 0.806 13 K CB 2.450 34.962 32.500 0.021 0.000 1.301 13 K HN 0.746 nan 8.250 nan 0.000 0.432 14 T N 1.100 115.676 114.554 0.037 0.000 2.991 14 T HA 0.311 4.661 4.350 0.000 0.000 0.303 14 T C -0.946 173.783 174.700 0.047 0.000 1.015 14 T CA -0.684 61.444 62.100 0.047 0.000 1.007 14 T CB 0.612 69.508 68.868 0.048 0.000 1.034 14 T HN 0.439 nan 8.240 nan 0.000 0.446 15 K N 2.938 123.377 120.400 0.065 0.000 2.758 15 K HA 0.368 4.688 4.320 0.000 0.000 0.208 15 K C 1.120 177.792 176.600 0.120 0.000 1.091 15 K CA 0.278 56.606 56.287 0.070 0.000 1.059 15 K CB 0.915 33.448 32.500 0.054 0.000 0.801 15 K HN 1.024 nan 8.250 nan 0.000 0.470 16 G N -0.184 108.686 108.800 0.116 0.000 2.316 16 G HA2 -0.210 3.750 3.960 0.000 0.000 0.203 16 G HA3 -0.210 3.750 3.960 0.000 0.000 0.203 16 G C 0.523 175.490 174.900 0.111 0.000 0.999 16 G CA -0.199 44.977 45.100 0.128 0.000 0.649 16 G HN 0.533 nan 8.290 nan 0.000 0.489 17 G N -0.735 108.194 108.800 0.215 0.000 3.039 17 G HA2 0.793 4.753 3.960 0.000 0.000 0.159 17 G HA3 0.793 4.753 3.960 0.000 0.000 0.159 17 G C -1.078 173.889 174.900 0.112 0.000 1.284 17 G CA -0.108 45.138 45.100 0.244 0.000 0.996 17 G HN 1.187 nan 8.290 nan 0.000 0.592 18 L N -0.767 120.495 121.223 0.064 0.000 2.513 18 L HA 0.606 4.946 4.340 0.000 0.000 0.261 18 L C -1.298 175.555 176.870 -0.028 0.000 0.945 18 L CA -0.449 54.417 54.840 0.043 0.000 0.848 18 L CB 2.291 44.413 42.059 0.104 0.000 1.334 18 L HN 0.613 nan 8.230 nan 0.000 0.407 19 E N 3.470 123.675 120.200 0.008 0.000 2.248 19 E HA 0.728 5.078 4.350 0.000 0.000 0.267 19 E C -1.596 175.047 176.600 0.071 0.000 0.877 19 E CA -0.841 55.558 56.400 -0.002 0.000 0.759 19 E CB 2.824 32.516 29.700 -0.013 0.000 1.182 19 E HN 0.372 nan 8.360 nan 0.000 0.418 20 V N 1.613 121.601 119.914 0.124 0.000 2.577 20 V HA 0.788 4.908 4.120 0.000 0.000 0.303 20 V C -0.798 175.380 176.094 0.140 0.000 1.042 20 V CA -0.628 61.760 62.300 0.146 0.000 0.872 20 V CB 1.596 33.541 31.823 0.205 0.000 0.998 20 V HN 0.775 nan 8.190 nan 0.000 0.423 21 A N 2.664 125.547 122.820 0.105 0.000 2.488 21 A HA 0.830 5.150 4.320 0.000 0.000 0.298 21 A C -0.096 177.545 177.584 0.094 0.000 1.044 21 A CA -0.419 51.680 52.037 0.103 0.000 0.693 21 A CB 1.731 20.772 19.000 0.069 0.000 1.272 21 A HN 0.964 nan 8.150 nan 0.000 0.402 22 T N -0.355 114.271 114.554 0.120 0.000 2.918 22 T HA 0.361 4.711 4.350 0.000 0.000 0.302 22 T C 1.333 176.074 174.700 0.068 0.000 1.045 22 T CA 0.497 62.661 62.100 0.107 0.000 1.114 22 T CB 0.773 69.743 68.868 0.171 0.000 0.965 22 T HN 1.349 nan 8.240 nan 0.000 0.540 23 T N -1.432 113.153 114.554 0.053 0.000 3.072 23 T HA -0.085 4.266 4.350 0.000 0.000 0.266 23 T C 1.091 175.805 174.700 0.024 0.000 1.127 23 T CA 0.842 62.962 62.100 0.033 0.000 1.107 23 T CB -0.496 68.389 68.868 0.028 0.000 0.910 23 T HN 0.787 nan 8.240 nan 0.000 0.513 24 D N 0.709 121.126 120.400 0.029 0.000 2.328 24 D HA 0.059 4.699 4.640 0.000 0.000 0.226 24 D C 0.776 177.066 176.300 -0.017 0.000 1.066 24 D CA -0.151 53.856 54.000 0.011 0.000 0.861 24 D CB -0.169 40.643 40.800 0.021 0.000 0.912 24 D HN 0.187 nan 8.370 nan 0.000 0.521 25 K N -0.568 119.823 120.400 -0.015 0.000 3.407 25 K HA -0.187 4.133 4.320 0.000 0.000 0.312 25 K C 0.786 177.323 176.600 -0.105 0.000 1.302 25 K CA 0.930 57.193 56.287 -0.041 0.000 0.931 25 K CB -1.696 30.778 32.500 -0.043 0.000 1.257 25 K HN 0.354 nan 8.250 nan 0.000 0.454 26 E N -0.485 119.617 120.200 -0.164 0.000 2.076 26 E HA 0.060 4.410 4.350 0.000 0.000 0.190 26 E C 0.397 176.543 176.600 -0.756 0.000 0.979 26 E CA 1.032 57.140 56.400 -0.486 0.000 0.807 26 E CB 0.086 29.426 29.700 -0.600 0.000 0.761 26 E HN 0.297 nan 8.360 nan 0.000 0.454 27 F N -0.392 119.540 119.950 -0.029 0.000 2.578 27 F HA 0.334 4.861 4.527 0.000 0.000 0.311 27 F C 0.021 175.844 175.800 0.038 0.000 1.094 27 F CA -0.902 57.090 58.000 -0.014 0.000 0.923 27 F CB 2.110 41.076 39.000 -0.057 0.000 1.230 27 F HN -0.270 nan 8.300 nan 0.000 0.450 28 S N 1.687 117.550 115.700 0.272 0.000 2.565 28 S HA 0.819 5.289 4.470 0.000 0.000 0.269 28 S C -1.932 172.850 174.600 0.303 0.000 1.153 28 S CA -0.737 57.594 58.200 0.218 0.000 0.835 28 S CB 2.274 65.542 63.200 0.113 0.000 1.122 28 S HN 0.633 nan 8.310 nan 0.000 0.462 29 F N 1.176 121.186 119.950 0.099 0.000 2.569 29 F HA 0.783 5.310 4.527 0.000 0.000 0.312 29 F C -0.994 174.846 175.800 0.067 0.000 1.109 29 F CA -0.580 57.485 58.000 0.108 0.000 0.919 29 F CB 1.935 41.025 39.000 0.151 0.000 1.211 29 F HN 0.935 nan 8.300 nan 0.000 0.446 30 K N 7.235 127.152 120.400 -0.806 0.000 2.541 30 K HA 0.552 4.872 4.320 0.000 0.000 0.250 30 K C -2.286 173.744 176.600 -0.950 0.000 0.950 30 K CA -0.674 55.202 56.287 -0.685 0.000 0.805 30 K CB 1.695 33.998 32.500 -0.329 0.000 1.166 30 K HN 0.877 nan 8.250 nan 0.000 0.430 31 L N 4.264 125.030 121.223 -0.762 0.000 2.280 31 L HA 0.692 5.032 4.340 0.000 0.000 0.287 31 L C -0.315 176.391 176.870 -0.272 0.000 1.023 31 L CA -0.138 54.395 54.840 -0.512 0.000 0.819 31 L CB 1.197 43.139 42.059 -0.195 0.000 1.212 31 L HN 0.905 nan 8.230 nan 0.000 0.420 32 G N 2.236 110.816 108.800 -0.367 0.000 2.975 32 G HA2 0.842 4.802 3.960 0.000 0.000 0.291 32 G HA3 0.842 4.802 3.960 0.000 0.000 0.291 32 G C -0.956 173.443 174.900 -0.836 0.000 1.334 32 G CA -0.261 44.571 45.100 -0.447 0.000 0.843 32 G HN 0.924 nan 8.290 nan 0.000 0.548 33 G N -1.199 106.778 108.800 -1.372 0.000 2.349 33 G HA2 0.665 4.625 3.960 0.000 0.000 0.294 33 G HA3 0.665 4.625 3.960 0.000 0.000 0.294 33 G C -1.611 172.748 174.900 -0.901 0.000 1.380 33 G CA -0.375 44.048 45.100 -1.128 0.000 0.811 33 G HN 1.208 nan 8.290 nan 0.000 0.519 34 R N -1.006 119.245 120.500 -0.415 0.000 2.566 34 R HA 0.721 5.062 4.340 0.000 0.000 0.271 34 R C -2.330 173.878 176.300 -0.153 0.000 1.071 34 R CA -0.923 55.014 56.100 -0.272 0.000 0.915 34 R CB 1.949 32.016 30.300 -0.387 0.000 1.228 34 R HN 0.759 nan 8.270 nan 0.000 0.449 35 L N 2.049 123.248 121.223 -0.039 0.000 2.349 35 L HA 0.409 4.749 4.340 0.000 0.000 0.278 35 L C -1.082 175.793 176.870 0.010 0.000 0.996 35 L CA -0.227 54.599 54.840 -0.024 0.000 0.825 35 L CB 2.147 44.211 42.059 0.009 0.000 1.243 35 L HN 0.721 nan 8.230 nan 0.000 0.412 36 Q N 4.453 124.271 119.800 0.030 0.000 2.363 36 Q HA 0.718 5.058 4.340 0.000 0.000 0.265 36 Q C -0.830 175.231 176.000 0.101 0.000 1.032 36 Q CA -0.593 55.216 55.803 0.010 0.000 0.746 36 Q CB 1.935 30.620 28.738 -0.088 0.000 1.237 36 Q HN 0.757 nan 8.270 nan 0.000 0.475 37 A N 3.077 125.927 122.820 0.051 0.000 2.249 37 A HA 0.489 4.809 4.320 0.000 0.000 0.314 37 A C -0.898 176.528 177.584 -0.263 0.000 1.290 37 A CA -0.543 51.413 52.037 -0.135 0.000 0.893 37 A CB 0.482 19.435 19.000 -0.078 0.000 1.165 37 A HN 0.534 nan 8.150 nan 0.000 0.530 38 D N 0.589 120.678 120.400 -0.519 0.000 2.185 38 D HA 0.490 5.130 4.640 0.000 0.000 0.247 38 D C -1.303 174.753 176.300 -0.407 0.000 1.027 38 D CA 0.388 54.066 54.000 -0.537 0.000 0.861 38 D CB 1.380 41.632 40.800 -0.915 0.000 1.202 38 D HN 0.442 nan 8.370 nan 0.000 0.453 39 Y N 0.628 120.758 120.300 -0.284 0.000 2.346 39 Y HA 0.577 5.127 4.550 0.000 0.000 0.332 39 Y C -0.351 175.523 175.900 -0.044 0.000 0.985 39 Y CA -0.749 57.259 58.100 -0.152 0.000 1.112 39 Y CB 1.645 40.033 38.460 -0.120 0.000 1.170 39 Y HN 0.400 nan 8.280 nan 0.000 0.447 40 G N 5.540 114.023 108.800 -0.529 0.000 2.524 40 G HA2 0.713 4.673 3.960 0.000 0.000 0.310 40 G HA3 0.713 4.673 3.960 0.000 0.000 0.310 40 G C -1.594 173.050 174.900 -0.426 0.000 1.279 40 G CA -1.159 43.767 45.100 -0.290 0.000 0.974 40 G HN 0.609 nan 8.290 nan 0.000 0.484 41 R N 0.006 120.362 120.500 -0.240 0.000 2.621 41 R HA 0.672 5.012 4.340 0.000 0.000 0.292 41 R C -1.427 174.829 176.300 -0.073 0.000 0.969 41 R CA -0.641 55.262 56.100 -0.329 0.000 0.887 41 R CB 2.096 32.253 30.300 -0.239 0.000 1.180 41 R HN 0.594 nan 8.270 nan 0.000 0.450 42 F N -0.663 119.231 119.950 -0.093 0.000 2.678 42 F HA 0.539 5.066 4.527 0.000 0.000 0.308 42 F C -1.161 174.684 175.800 0.076 0.000 1.118 42 F CA -1.226 56.753 58.000 -0.034 0.000 0.959 42 F CB 1.414 40.282 39.000 -0.220 0.000 1.305 42 F HN 0.478 nan 8.300 nan 0.000 0.443 43 D N -0.058 120.559 120.400 0.362 0.000 2.895 43 D HA 0.675 5.315 4.640 0.000 0.000 0.320 43 D C 0.533 177.013 176.300 0.300 0.000 1.249 43 D CA -0.133 54.016 54.000 0.248 0.000 0.997 43 D CB 0.941 41.818 40.800 0.128 0.000 1.430 43 D HN 1.415 nan 8.370 nan 0.000 0.558 44 G N -0.029 108.878 108.800 0.179 0.000 2.574 44 G HA2 -0.408 3.552 3.960 0.000 0.000 0.286 44 G HA3 -0.408 3.552 3.960 0.000 0.000 0.286 44 G C 0.786 175.763 174.900 0.129 0.000 1.212 44 G CA 0.985 46.171 45.100 0.143 0.000 0.979 44 G HN 0.867 nan 8.290 nan 0.000 0.557 45 Y N 0.508 120.786 120.300 -0.036 0.000 2.181 45 Y HA -0.205 4.345 4.550 0.000 0.000 0.284 45 Y C 2.875 178.749 175.900 -0.044 0.000 1.179 45 Y CA 2.956 61.001 58.100 -0.093 0.000 1.179 45 Y CB -0.441 37.896 38.460 -0.205 0.000 0.973 45 Y HN 0.488 nan 8.280 nan 0.000 0.519 46 Y N 0.503 120.872 120.300 0.115 0.000 2.333 46 Y HA -0.096 4.454 4.550 0.000 0.000 0.290 46 Y C 1.504 177.428 175.900 0.040 0.000 1.144 46 Y CA 1.088 59.228 58.100 0.067 0.000 1.228 46 Y CB -0.888 37.696 38.460 0.206 0.000 0.985 46 Y HN 0.154 nan 8.280 nan 0.000 0.542 47 T N -3.871 110.794 114.554 0.184 0.000 2.932 47 T HA 0.298 4.648 4.350 0.000 0.000 0.289 47 T C 0.659 175.360 174.700 0.001 0.000 1.039 47 T CA -0.687 61.484 62.100 0.118 0.000 1.024 47 T CB 1.516 70.462 68.868 0.130 0.000 1.090 47 T HN 0.138 nan 8.240 nan 0.000 0.496 48 N N 0.962 119.661 118.700 -0.002 0.000 2.142 48 N HA -0.113 4.627 4.740 0.000 0.000 0.186 48 N C 1.401 176.904 175.510 -0.012 0.000 1.023 48 N CA 1.282 54.316 53.050 -0.026 0.000 0.852 48 N CB -0.153 38.326 38.487 -0.012 0.000 0.998 48 N HN 0.804 nan 8.380 nan 0.000 0.424 49 N N -0.602 118.102 118.700 0.005 0.000 2.280 49 N HA 0.134 4.874 4.740 0.000 0.000 0.192 49 N C 1.022 176.544 175.510 0.020 0.000 1.109 49 N CA 0.713 53.769 53.050 0.010 0.000 0.855 49 N CB 0.437 38.930 38.487 0.009 0.000 0.974 49 N HN 0.201 nan 8.380 nan 0.000 0.482 50 G N -0.629 108.189 108.800 0.030 0.000 2.199 50 G HA2 -0.303 3.657 3.960 0.000 0.000 0.254 50 G HA3 -0.303 3.657 3.960 0.000 0.000 0.254 50 G C -0.207 174.725 174.900 0.052 0.000 0.982 50 G CA 0.084 45.214 45.100 0.050 0.000 0.632 50 G HN 0.465 nan 8.290 nan 0.000 0.529 51 N N 0.765 119.484 118.700 0.032 0.000 2.424 51 N HA 0.445 5.185 4.740 0.000 0.000 0.257 51 N C 0.392 175.900 175.510 -0.003 0.000 1.250 51 N CA 0.366 53.425 53.050 0.015 0.000 0.946 51 N CB 0.350 38.838 38.487 0.002 0.000 1.175 51 N HN 0.139 nan 8.380 nan 0.000 0.477 52 T N 0.833 115.368 114.554 -0.033 0.000 2.834 52 T HA 0.431 4.781 4.350 0.000 0.000 0.298 52 T C 0.282 174.863 174.700 -0.199 0.000 0.966 52 T CA -0.305 61.731 62.100 -0.106 0.000 1.141 52 T CB 0.289 69.106 68.868 -0.085 0.000 0.905 52 T HN 0.516 nan 8.240 nan 0.000 0.535 53 A N 3.429 126.004 122.820 -0.409 0.000 2.309 53 A HA 0.846 5.166 4.320 0.000 0.000 0.317 53 A C -0.297 176.772 177.584 -0.859 0.000 1.134 53 A CA -0.819 50.910 52.037 -0.513 0.000 0.866 53 A CB 1.053 19.809 19.000 -0.406 0.000 1.329 53 A HN 0.828 nan 8.150 nan 0.000 0.477 54 D N -1.616 118.445 120.400 -0.566 0.000 2.592 54 D HA 0.720 5.360 4.640 0.000 0.000 0.263 54 D C -0.894 175.329 176.300 -0.127 0.000 1.132 54 D CA -0.079 53.630 54.000 -0.486 0.000 0.996 54 D CB 1.667 42.312 40.800 -0.258 0.000 1.442 54 D HN 1.175 nan 8.370 nan 0.000 0.486 55 A N -0.517 122.303 122.820 0.001 0.000 2.480 55 A HA 0.691 5.011 4.320 0.000 0.000 0.289 55 A C -1.458 176.317 177.584 0.318 0.000 1.044 55 A CA -0.282 51.902 52.037 0.246 0.000 0.761 55 A CB 1.225 20.445 19.000 0.368 0.000 1.289 55 A HN 1.029 nan 8.150 nan 0.000 0.401 56 A N 2.339 125.370 122.820 0.352 0.000 2.319 56 A HA 0.922 5.242 4.320 0.000 0.000 0.310 56 A C -0.844 176.811 177.584 0.118 0.000 1.152 56 A CA -0.456 51.713 52.037 0.219 0.000 0.783 56 A CB 0.336 19.450 19.000 0.189 0.000 1.184 56 A HN 2.005 nan 8.150 nan 0.000 0.474 57 Y N -0.879 119.329 120.300 -0.153 0.000 2.662 57 Y HA 0.683 5.233 4.550 0.000 0.000 0.334 57 Y C -1.658 174.053 175.900 -0.315 0.000 1.185 57 Y CA -2.239 55.740 58.100 -0.201 0.000 1.074 57 Y CB 0.462 38.888 38.460 -0.056 0.000 1.330 57 Y HN 0.370 nan 8.280 nan 0.000 0.458 58 F N 2.550 122.561 119.950 0.101 0.000 2.421 58 F HA 0.492 5.020 4.527 0.000 0.000 0.358 58 F C 1.547 177.454 175.800 0.180 0.000 1.115 58 F CA -0.547 57.472 58.000 0.031 0.000 1.160 58 F CB 1.405 40.418 39.000 0.021 0.000 1.123 58 F HN 0.637 nan 8.300 nan 0.000 0.508 59 R N 2.429 123.087 120.500 0.264 0.000 2.081 59 R HA 0.053 4.393 4.340 0.000 0.000 0.235 59 R C -0.129 176.258 176.300 0.145 0.000 1.131 59 R CA 1.573 57.839 56.100 0.277 0.000 0.960 59 R CB 0.151 30.538 30.300 0.145 0.000 0.856 59 R HN 0.655 nan 8.270 nan 0.000 0.436 60 R N -1.982 118.552 120.500 0.057 0.000 2.626 60 R HA 0.619 4.959 4.340 0.000 0.000 0.274 60 R C -1.671 174.578 176.300 -0.085 0.000 1.031 60 R CA -0.221 55.825 56.100 -0.090 0.000 0.898 60 R CB 2.274 32.270 30.300 -0.507 0.000 1.222 60 R HN 0.132 nan 8.270 nan 0.000 0.455 61 A N 2.883 125.697 122.820 -0.010 0.000 2.855 61 A HA 0.434 4.754 4.320 0.000 0.000 0.313 61 A C -1.525 176.158 177.584 0.166 0.000 1.173 61 A CA -0.545 51.465 52.037 -0.046 0.000 0.753 61 A CB 0.432 19.322 19.000 -0.183 0.000 1.200 61 A HN 0.472 nan 8.150 nan 0.000 0.442 62 Y N 1.142 121.416 120.300 -0.043 0.000 2.323 62 Y HA 0.571 5.121 4.550 0.000 0.000 0.331 62 Y C 0.215 176.101 175.900 -0.023 0.000 1.092 62 Y CA -1.567 56.524 58.100 -0.015 0.000 1.150 62 Y CB 1.161 39.599 38.460 -0.037 0.000 1.200 62 Y HN 0.464 nan 8.280 nan 0.000 0.472 63 L N 3.699 125.059 121.223 0.228 0.000 2.295 63 L HA 0.499 4.839 4.340 0.000 0.000 0.285 63 L C -0.339 176.560 176.870 0.049 0.000 1.035 63 L CA -0.534 54.377 54.840 0.119 0.000 0.806 63 L CB 1.343 43.581 42.059 0.298 0.000 1.214 63 L HN 0.572 nan 8.230 nan 0.000 0.426 64 E N 3.598 123.614 120.200 -0.306 0.000 2.218 64 E HA 0.481 4.831 4.350 0.000 0.000 0.263 64 E C -1.590 174.729 176.600 -0.468 0.000 0.879 64 E CA -0.395 55.884 56.400 -0.203 0.000 0.762 64 E CB 1.958 31.563 29.700 -0.158 0.000 1.166 64 E HN 0.263 nan 8.360 nan 0.000 0.415 65 F N 1.388 121.407 119.950 0.114 0.000 2.460 65 F HA 0.633 5.160 4.527 0.000 0.000 0.341 65 F C 0.642 176.500 175.800 0.096 0.000 1.130 65 F CA -0.680 57.430 58.000 0.184 0.000 0.962 65 F CB 2.218 41.468 39.000 0.416 0.000 1.171 65 F HN 0.465 nan 8.300 nan 0.000 0.436 66 G N 0.671 109.419 108.800 -0.087 0.000 2.660 66 G HA2 0.761 4.721 3.960 0.000 0.000 0.294 66 G HA3 0.761 4.721 3.960 0.000 0.000 0.294 66 G C -1.075 173.492 174.900 -0.555 0.000 1.369 66 G CA -0.834 43.962 45.100 -0.507 0.000 0.912 66 G HN 0.957 nan 8.290 nan 0.000 0.479 67 G N -1.267 107.051 108.800 -0.803 0.000 2.495 67 G HA2 0.639 4.599 3.960 0.000 0.000 0.294 67 G HA3 0.639 4.599 3.960 0.000 0.000 0.294 67 G C -1.360 173.548 174.900 0.015 0.000 1.397 67 G CA -0.338 44.673 45.100 -0.148 0.000 0.790 67 G HN 0.792 nan 8.290 nan 0.000 0.486 68 T N -0.212 114.454 114.554 0.188 0.000 2.893 68 T HA 0.798 5.148 4.350 0.000 0.000 0.293 68 T C -0.436 174.418 174.700 0.257 0.000 1.027 68 T CA 0.152 62.365 62.100 0.188 0.000 0.988 68 T CB 1.703 70.617 68.868 0.076 0.000 1.043 68 T HN 1.565 nan 8.240 nan 0.000 0.461 69 A N 1.664 124.643 122.820 0.266 0.000 2.422 69 A HA 0.678 4.998 4.320 0.000 0.000 0.302 69 A C -0.988 176.657 177.584 0.102 0.000 1.041 69 A CA -0.804 51.348 52.037 0.192 0.000 0.708 69 A CB 0.378 19.657 19.000 0.466 0.000 1.257 69 A HN 0.951 nan 8.150 nan 0.000 0.414 70 Y N 1.015 121.083 120.300 -0.388 0.000 3.305 70 Y HA -0.309 4.241 4.550 0.000 0.000 0.212 70 Y C 1.455 177.290 175.900 -0.109 0.000 1.248 70 Y CA 1.478 59.438 58.100 -0.232 0.000 1.359 70 Y CB -1.876 36.635 38.460 0.085 0.000 1.407 70 Y HN 1.116 nan 8.280 nan 0.000 0.572 71 R N -0.948 119.443 120.500 -0.182 0.000 1.706 71 R HA -0.328 4.012 4.340 0.000 0.000 0.091 71 R C 0.637 176.896 176.300 -0.068 0.000 0.932 71 R CA 2.325 58.356 56.100 -0.116 0.000 1.944 71 R CB -1.360 28.880 30.300 -0.101 0.000 0.506 71 R HN 0.500 nan 8.270 nan 0.000 0.707 72 D N -1.541 118.840 120.400 -0.031 0.000 2.369 72 D HA 0.117 4.757 4.640 0.000 0.000 0.211 72 D C -0.511 175.637 176.300 -0.252 0.000 1.077 72 D CA 0.569 54.412 54.000 -0.262 0.000 0.842 72 D CB 0.101 40.599 40.800 -0.504 0.000 0.947 72 D HN 0.235 nan 8.370 nan 0.000 0.509 73 W N 1.813 123.196 121.300 0.138 0.000 2.411 73 W HA 0.376 5.036 4.660 0.000 0.000 0.317 73 W C 0.255 176.888 176.519 0.190 0.000 1.030 73 W CA -0.771 56.705 57.345 0.218 0.000 1.239 73 W CB 1.304 30.913 29.460 0.249 0.000 1.304 73 W HN -0.523 nan 8.180 nan 0.000 0.437 74 K N 2.612 123.235 120.400 0.371 0.000 2.267 74 K HA 0.610 4.930 4.320 0.000 0.000 0.246 74 K C -1.125 175.686 176.600 0.350 0.000 0.954 74 K CA -1.145 55.303 56.287 0.267 0.000 0.824 74 K CB 2.274 34.837 32.500 0.106 0.000 1.167 74 K HN 0.430 nan 8.250 nan 0.000 0.431 75 Y N -0.877 119.552 120.300 0.216 0.000 2.576 75 Y HA 0.664 5.214 4.550 0.000 0.000 0.346 75 Y C -1.231 174.778 175.900 0.181 0.000 1.018 75 Y CA -1.147 57.075 58.100 0.203 0.000 1.050 75 Y CB 1.936 40.517 38.460 0.202 0.000 1.280 75 Y HN 0.441 nan 8.280 nan 0.000 0.474 76 Q N 2.440 122.380 119.800 0.233 0.000 2.263 76 Q HA 0.612 4.952 4.340 0.000 0.000 0.262 76 Q C -2.234 173.951 176.000 0.307 0.000 0.984 76 Q CA -0.372 55.521 55.803 0.150 0.000 0.813 76 Q CB 1.732 30.517 28.738 0.078 0.000 1.299 76 Q HN 0.844 nan 8.270 nan 0.000 0.428 77 I N 3.689 124.494 120.570 0.392 0.000 2.448 77 I HA 0.474 4.645 4.170 0.000 0.000 0.281 77 I C -0.932 175.446 176.117 0.436 0.000 1.027 77 I CA -0.833 60.728 61.300 0.436 0.000 1.111 77 I CB 1.601 39.887 38.000 0.476 0.000 1.236 77 I HN 0.442 nan 8.210 nan 0.000 0.452 78 N N 5.699 124.602 118.700 0.338 0.000 2.407 78 N HA 0.370 5.110 4.740 0.000 0.000 0.277 78 N C -1.391 174.233 175.510 0.190 0.000 0.995 78 N CA -0.493 52.678 53.050 0.200 0.000 0.903 78 N CB 1.755 40.242 38.487 -0.001 0.000 1.218 78 N HN 0.376 nan 8.380 nan 0.000 0.487 79 Y N 0.484 120.814 120.300 0.049 0.000 2.352 79 Y HA 0.246 4.796 4.550 0.000 0.000 0.339 79 Y C -0.434 175.450 175.900 -0.026 0.000 0.992 79 Y CA -1.011 57.076 58.100 -0.022 0.000 1.100 79 Y CB 1.314 39.783 38.460 0.014 0.000 1.192 79 Y HN 0.373 nan 8.280 nan 0.000 0.458 80 D N 4.738 124.934 120.400 -0.341 0.000 2.428 80 D HA 0.153 4.793 4.640 0.000 0.000 0.221 80 D C 0.293 176.536 176.300 -0.095 0.000 1.123 80 D CA -0.093 53.868 54.000 -0.065 0.000 0.869 80 D CB 0.852 41.646 40.800 -0.009 0.000 1.032 80 D HN 0.494 nan 8.370 nan 0.000 0.506 81 L N 2.832 124.075 121.223 0.033 0.000 2.275 81 L HA -0.089 4.251 4.340 0.000 0.000 0.215 81 L C 2.363 179.190 176.870 -0.072 0.000 1.119 81 L CA 1.231 56.061 54.840 -0.015 0.000 0.790 81 L CB -0.958 41.110 42.059 0.015 0.000 0.919 81 L HN 0.509 nan 8.230 nan 0.000 0.443 82 S N -1.392 114.300 115.700 -0.012 0.000 2.561 82 S HA -0.069 4.401 4.470 0.000 0.000 0.225 82 S C 0.903 175.483 174.600 -0.033 0.000 0.977 82 S CA -0.237 57.989 58.200 0.042 0.000 0.926 82 S CB -0.092 63.203 63.200 0.158 0.000 0.769 82 S HN 0.377 nan 8.310 nan 0.000 0.533 83 R N 0.119 120.516 120.500 -0.172 0.000 3.776 83 R HA -0.152 4.188 4.340 0.000 0.000 0.312 83 R C -0.292 176.020 176.300 0.021 0.000 1.181 83 R CA 1.027 56.939 56.100 -0.314 0.000 0.836 83 R CB -3.290 26.717 30.300 -0.487 0.000 1.324 83 R HN 0.702 nan 8.270 nan 0.000 0.501 84 N N -0.559 118.193 118.700 0.086 0.000 2.353 84 N HA 0.115 4.855 4.740 0.000 0.000 0.185 84 N C 0.080 175.678 175.510 0.146 0.000 1.098 84 N CA 0.481 53.600 53.050 0.116 0.000 0.872 84 N CB 0.857 39.414 38.487 0.116 0.000 0.970 84 N HN 0.081 nan 8.380 nan 0.000 0.467 85 V N -0.228 119.792 119.914 0.175 0.000 2.841 85 V HA 0.766 4.886 4.120 0.000 0.000 0.310 85 V C 0.014 176.186 176.094 0.131 0.000 1.090 85 V CA 0.119 62.511 62.300 0.154 0.000 0.930 85 V CB 0.918 32.851 31.823 0.183 0.000 1.014 85 V HN 0.373 nan 8.190 nan 0.000 0.425 86 G N 4.991 113.819 108.800 0.046 0.000 2.698 86 G HA2 0.012 3.972 3.960 0.000 0.000 0.225 86 G HA3 0.012 3.972 3.960 0.000 0.000 0.225 86 G C -0.875 173.862 174.900 -0.272 0.000 1.345 86 G CA 0.208 45.242 45.100 -0.110 0.000 0.871 86 G HN 2.185 nan 8.290 nan 0.000 0.540 87 N N -2.011 116.308 118.700 -0.635 0.000 3.039 87 N HA 0.560 5.300 4.740 0.000 0.000 0.257 87 N C -0.088 174.840 175.510 -0.971 0.000 1.497 87 N CA 0.064 52.690 53.050 -0.707 0.000 0.861 87 N CB 0.867 39.213 38.487 -0.236 0.000 1.479 87 N HN 0.468 nan 8.380 nan 0.000 0.547 88 D N -1.709 118.415 120.400 -0.459 0.000 2.328 88 D HA 0.117 4.757 4.640 0.000 0.000 0.226 88 D C 0.692 176.933 176.300 -0.099 0.000 1.066 88 D CA 0.820 54.702 54.000 -0.197 0.000 0.861 88 D CB 0.162 41.023 40.800 0.102 0.000 0.912 88 D HN 0.516 nan 8.370 nan 0.000 0.521 89 S N -1.406 114.222 115.700 -0.119 0.000 2.566 89 S HA 0.242 4.713 4.470 0.000 0.000 0.234 89 S C 2.019 176.596 174.600 -0.038 0.000 1.075 89 S CA 0.354 58.522 58.200 -0.054 0.000 0.926 89 S CB 0.064 63.240 63.200 -0.040 0.000 0.811 89 S HN 0.087 nan 8.310 nan 0.000 0.518 90 A N 1.464 124.247 122.820 -0.062 0.000 2.072 90 A HA 0.592 4.912 4.320 0.000 0.000 0.216 90 A C 1.382 179.034 177.584 0.114 0.000 1.156 90 A CA 0.686 52.727 52.037 0.006 0.000 0.701 90 A CB -0.967 18.023 19.000 -0.018 0.000 0.816 90 A HN 1.736 nan 8.150 nan 0.000 0.458 91 G N -2.603 106.157 108.800 -0.067 0.000 2.617 91 G HA2 -0.029 3.931 3.960 0.000 0.000 0.686 91 G HA3 -0.029 3.931 3.960 0.000 0.000 0.686 91 G C -0.602 174.046 174.900 -0.419 0.000 1.214 91 G CA -0.534 44.490 45.100 -0.127 0.000 0.796 91 G HN 0.343 nan 8.290 nan 0.000 0.654 92 Y N 0.538 120.500 120.300 -0.564 0.000 2.930 92 Y HA 0.478 5.028 4.550 0.000 0.000 0.386 92 Y C 0.830 176.075 175.900 -1.090 0.000 1.185 92 Y CA -0.488 57.139 58.100 -0.787 0.000 1.922 92 Y CB -0.290 37.701 38.460 -0.782 0.000 2.006 92 Y HN 0.372 nan 8.280 nan 0.000 0.431 93 F N 0.132 119.908 119.950 -0.290 0.000 2.410 93 F HA 0.132 4.659 4.527 0.000 0.000 0.348 93 F C 1.406 177.081 175.800 -0.208 0.000 1.106 93 F CA -0.727 57.177 58.000 -0.160 0.000 1.163 93 F CB 0.996 39.992 39.000 -0.007 0.000 1.129 93 F HN 0.215 nan 8.300 nan 0.000 0.516 94 D N 1.287 121.621 120.400 -0.109 0.000 2.137 94 D HA -0.071 4.569 4.640 0.000 0.000 0.202 94 D C 0.055 176.304 176.300 -0.085 0.000 0.970 94 D CA 1.038 54.933 54.000 -0.175 0.000 0.837 94 D CB 0.353 40.766 40.800 -0.645 0.000 0.981 94 D HN 0.616 nan 8.370 nan 0.000 0.475 95 E N -1.391 118.842 120.200 0.056 0.000 2.352 95 E HA 0.578 4.928 4.350 0.000 0.000 0.280 95 E C -1.966 174.730 176.600 0.160 0.000 0.930 95 E CA -0.994 55.456 56.400 0.084 0.000 0.765 95 E CB 1.798 31.569 29.700 0.118 0.000 1.219 95 E HN 0.032 nan 8.360 nan 0.000 0.434 96 A N 2.707 125.543 122.820 0.028 0.000 2.679 96 A HA 0.552 4.872 4.320 0.000 0.000 0.288 96 A C -1.102 176.523 177.584 0.069 0.000 1.160 96 A CA -0.265 51.762 52.037 -0.016 0.000 0.763 96 A CB 0.688 19.399 19.000 -0.482 0.000 1.270 96 A HN 0.513 nan 8.150 nan 0.000 0.417 97 S N 0.287 116.103 115.700 0.192 0.000 2.595 97 S HA 0.873 5.343 4.470 0.000 0.000 0.281 97 S C -0.936 173.838 174.600 0.290 0.000 1.117 97 S CA -0.747 57.609 58.200 0.259 0.000 0.873 97 S CB 1.933 65.288 63.200 0.258 0.000 1.108 97 S HN 0.934 nan 8.310 nan 0.000 0.477 98 V N 1.615 121.735 119.914 0.342 0.000 2.588 98 V HA 0.679 4.799 4.120 0.000 0.000 0.304 98 V C -0.479 175.876 176.094 0.435 0.000 1.042 98 V CA -0.366 62.175 62.300 0.401 0.000 0.877 98 V CB 1.957 34.020 31.823 0.399 0.000 0.996 98 V HN 1.083 nan 8.190 nan 0.000 0.425 99 T N 4.327 119.091 114.554 0.350 0.000 2.824 99 T HA 0.575 4.925 4.350 0.000 0.000 0.282 99 T C -1.489 173.331 174.700 0.199 0.000 0.993 99 T CA -0.382 61.863 62.100 0.242 0.000 0.967 99 T CB 1.265 70.186 68.868 0.088 0.000 0.960 99 T HN 0.578 nan 8.240 nan 0.000 0.441 100 Y N 1.811 122.073 120.300 -0.064 0.000 2.346 100 Y HA 0.459 5.009 4.550 0.000 0.000 0.332 100 Y C 0.857 176.626 175.900 -0.218 0.000 0.985 100 Y CA -0.231 57.629 58.100 -0.400 0.000 1.112 100 Y CB 1.251 39.201 38.460 -0.851 0.000 1.170 100 Y HN 0.826 nan 8.280 nan 0.000 0.447 101 T N 1.802 116.108 114.554 -0.413 0.000 11.540 101 T HA -0.244 4.107 4.350 0.000 0.000 0.374 101 T C 1.266 175.454 174.700 -0.853 0.000 1.748 101 T CA 1.203 62.958 62.100 -0.575 0.000 2.871 101 T CB -1.572 67.046 68.868 -0.417 0.000 2.347 101 T HN 0.889 nan 8.240 nan 0.000 0.592 102 G N 0.041 107.760 108.800 -1.802 0.000 2.448 102 G HA2 0.049 4.009 3.960 0.000 0.000 0.219 102 G HA3 0.049 4.009 3.960 0.000 0.000 0.219 102 G C 0.761 175.221 174.900 -0.733 0.000 1.127 102 G CA 0.910 45.172 45.100 -1.396 0.000 0.766 102 G HN 0.572 nan 8.290 nan 0.000 0.552 103 F N 1.136 120.916 119.950 -0.284 0.000 2.664 103 F HA 0.257 4.784 4.527 0.000 0.000 0.301 103 F C 1.138 176.876 175.800 -0.103 0.000 1.126 103 F CA -1.685 56.261 58.000 -0.091 0.000 1.373 103 F CB -0.855 38.148 39.000 0.005 0.000 1.042 103 F HN 0.024 nan 8.300 nan 0.000 0.535 104 N N 3.828 122.498 118.700 -0.050 0.000 2.131 104 N HA -0.133 4.607 4.740 0.000 0.000 0.276 104 N C -1.220 174.291 175.510 0.001 0.000 1.295 104 N CA -0.128 52.893 53.050 -0.047 0.000 0.818 104 N CB 0.937 39.362 38.487 -0.103 0.000 1.049 104 N HN 0.099 nan 8.380 nan 0.000 0.484 105 P HA 0.017 nan 4.420 nan 0.000 0.236 105 P C 0.131 177.435 177.300 0.007 0.000 1.177 105 P CA 0.186 63.285 63.100 -0.001 0.000 0.773 105 P CB 0.272 31.974 31.700 0.003 0.000 0.878 106 V N 1.837 121.768 119.914 0.029 0.000 2.479 106 V HA 0.048 4.168 4.120 0.000 0.000 0.281 106 V C 0.369 176.494 176.094 0.051 0.000 1.031 106 V CA -0.036 62.286 62.300 0.037 0.000 1.038 106 V CB -0.472 31.381 31.823 0.049 0.000 0.981 106 V HN 0.109 nan 8.190 nan 0.000 0.478 107 N N 4.724 123.433 118.700 0.015 0.000 2.399 107 N HA 0.666 5.406 4.740 0.000 0.000 0.295 107 N C -1.150 174.359 175.510 -0.003 0.000 1.048 107 N CA -0.712 52.336 53.050 -0.003 0.000 0.886 107 N CB 1.793 40.263 38.487 -0.027 0.000 1.185 107 N HN 0.532 nan 8.380 nan 0.000 0.487 108 L N 1.831 123.074 121.223 0.033 0.000 2.325 108 L HA 0.464 4.804 4.340 0.000 0.000 0.281 108 L C -0.178 176.591 176.870 -0.169 0.000 1.004 108 L CA -0.608 54.193 54.840 -0.065 0.000 0.823 108 L CB 1.410 43.543 42.059 0.123 0.000 1.236 108 L HN 0.405 nan 8.230 nan 0.000 0.415 109 K N 3.351 123.511 120.400 -0.400 0.000 2.244 109 K HA 0.653 4.973 4.320 0.000 0.000 0.260 109 K C -1.565 174.785 176.600 -0.417 0.000 0.951 109 K CA -0.470 55.616 56.287 -0.335 0.000 0.826 109 K CB 1.345 33.536 32.500 -0.514 0.000 1.108 109 K HN 0.263 nan 8.250 nan 0.000 0.433 110 F N 1.869 121.926 119.950 0.179 0.000 2.532 110 F HA 0.623 5.150 4.527 0.000 0.000 0.321 110 F C 0.910 176.913 175.800 0.337 0.000 1.089 110 F CA 0.045 58.214 58.000 0.281 0.000 0.926 110 F CB 2.300 41.418 39.000 0.197 0.000 1.168 110 F HN 0.839 nan 8.300 nan 0.000 0.459 111 G N 2.083 111.165 108.800 0.469 0.000 2.358 111 G HA2 -0.069 3.892 3.960 0.000 0.000 0.198 111 G HA3 -0.069 3.892 3.960 0.000 0.000 0.198 111 G C -1.424 173.504 174.900 0.046 0.000 1.220 111 G CA -1.165 44.066 45.100 0.217 0.000 1.187 111 G HN 0.739 nan 8.290 nan 0.000 0.544 112 R N 0.663 121.154 120.500 -0.015 0.000 2.229 112 R HA 0.693 5.033 4.340 0.000 0.000 0.332 112 R C -0.545 175.756 176.300 0.002 0.000 0.989 112 R CA -0.447 55.566 56.100 -0.144 0.000 0.842 112 R CB 0.012 30.167 30.300 -0.243 0.000 1.119 112 R HN 0.952 nan 8.270 nan 0.000 0.456 113 F N 0.951 120.913 119.950 0.020 0.000 2.713 113 F HA 0.392 4.919 4.527 0.000 0.000 0.311 113 F C -1.699 173.955 175.800 -0.242 0.000 1.141 113 F CA -1.648 56.276 58.000 -0.126 0.000 0.939 113 F CB 0.609 39.614 39.000 0.009 0.000 1.325 113 F HN 0.170 nan 8.300 nan 0.000 0.453 114 Y N 1.154 121.543 120.300 0.148 0.000 2.402 114 Y HA 0.386 4.937 4.550 0.000 0.000 0.333 114 Y C 1.163 177.058 175.900 -0.007 0.000 1.076 114 Y CA -0.369 57.701 58.100 -0.050 0.000 1.299 114 Y CB 0.523 38.966 38.460 -0.029 0.000 1.197 114 Y HN 0.751 nan 8.280 nan 0.000 0.517 115 T N -0.971 113.483 114.554 -0.168 0.000 2.932 115 T HA -0.000 4.350 4.350 0.000 0.000 0.312 115 T C -0.204 174.518 174.700 0.036 0.000 1.071 115 T CA -0.862 61.177 62.100 -0.102 0.000 1.128 115 T CB 0.709 69.368 68.868 -0.349 0.000 0.984 115 T HN 0.542 nan 8.240 nan 0.000 0.549 116 D N 1.450 121.907 120.400 0.096 0.000 2.393 116 D HA 0.328 4.968 4.640 0.000 0.000 0.232 116 D C -1.430 174.951 176.300 0.135 0.000 1.192 116 D CA -0.486 53.585 54.000 0.119 0.000 0.882 116 D CB -0.609 40.278 40.800 0.145 0.000 1.038 116 D HN 0.551 nan 8.370 nan 0.000 0.499 117 F N 3.025 122.936 119.950 -0.064 0.000 2.915 117 F HA 0.494 5.021 4.527 0.000 0.000 0.350 117 F C -0.110 175.655 175.800 -0.059 0.000 1.248 117 F CA 0.141 58.096 58.000 -0.074 0.000 1.084 117 F CB 1.204 40.088 39.000 -0.193 0.000 1.391 117 F HN 0.490 nan 8.300 nan 0.000 0.548 118 G N 4.945 113.817 108.800 0.120 0.000 3.069 118 G HA2 -0.135 3.826 3.960 0.000 0.000 0.686 118 G HA3 -0.135 3.826 3.960 0.000 0.000 0.686 118 G C -0.353 174.703 174.900 0.259 0.000 1.161 118 G CA -0.418 44.861 45.100 0.299 0.000 0.804 118 G HN 1.138 nan 8.290 nan 0.000 0.608 119 L N 1.289 122.680 121.223 0.280 0.000 2.046 119 L HA 0.132 4.472 4.340 0.000 0.000 0.208 119 L C 2.353 179.366 176.870 0.239 0.000 1.077 119 L CA 3.052 58.030 54.840 0.229 0.000 0.747 119 L CB -0.340 41.823 42.059 0.172 0.000 0.896 119 L HN 0.858 nan 8.230 nan 0.000 0.432 120 E N -0.825 119.567 120.200 0.320 0.000 2.204 120 E HA -0.265 4.085 4.350 0.000 0.000 0.194 120 E C 1.970 178.697 176.600 0.212 0.000 0.989 120 E CA 0.797 57.337 56.400 0.233 0.000 0.824 120 E CB 0.094 29.857 29.700 0.105 0.000 0.756 120 E HN 0.291 nan 8.360 nan 0.000 0.477 121 K N 0.528 121.077 120.400 0.248 0.000 2.116 121 K HA 0.044 4.364 4.320 0.000 0.000 0.203 121 K C 1.645 178.229 176.600 -0.027 0.000 1.052 121 K CA 1.163 57.448 56.287 -0.004 0.000 0.952 121 K CB -0.297 32.022 32.500 -0.302 0.000 0.729 121 K HN 0.114 nan 8.250 nan 0.000 0.446 122 A N 0.130 122.975 122.820 0.041 0.000 1.969 122 A HA -0.026 4.294 4.320 0.000 0.000 0.218 122 A C 0.881 178.475 177.584 0.016 0.000 1.169 122 A CA 1.346 53.399 52.037 0.027 0.000 0.635 122 A CB -0.939 18.081 19.000 0.034 0.000 0.810 122 A HN 0.329 nan 8.150 nan 0.000 0.445 123 T N 1.547 116.132 114.554 0.051 0.000 2.867 123 T HA 0.243 4.594 4.350 0.000 0.000 0.297 123 T C 0.468 175.197 174.700 0.048 0.000 0.989 123 T CA 0.393 62.539 62.100 0.077 0.000 1.159 123 T CB 0.465 69.411 68.868 0.129 0.000 0.928 123 T HN 0.389 nan 8.240 nan 0.000 0.538 124 S N 2.556 118.302 115.700 0.077 0.000 2.573 124 S HA -0.028 4.443 4.470 0.000 0.000 0.297 124 S C 1.723 176.274 174.600 -0.081 0.000 1.280 124 S CA -0.109 58.101 58.200 0.016 0.000 1.061 124 S CB 0.195 63.433 63.200 0.063 0.000 0.812 124 S HN 0.842 nan 8.310 nan 0.000 0.500 125 S N 4.396 120.016 115.700 -0.134 0.000 2.469 125 S HA -0.069 4.401 4.470 0.000 0.000 0.238 125 S C 1.437 175.834 174.600 -0.338 0.000 0.998 125 S CA 0.718 58.803 58.200 -0.190 0.000 0.957 125 S CB -0.272 62.832 63.200 -0.161 0.000 0.764 125 S HN 0.823 nan 8.310 nan 0.000 0.514 126 K N 0.115 120.182 120.400 -0.555 0.000 2.147 126 K HA -0.055 4.265 4.320 0.000 0.000 0.205 126 K C 0.900 176.918 176.600 -0.970 0.000 1.049 126 K CA 1.579 57.240 56.287 -1.044 0.000 0.936 126 K CB -0.188 31.278 32.500 -1.724 0.000 0.722 126 K HN 0.688 nan 8.250 nan 0.000 0.446 127 W N 0.115 121.388 121.300 -0.044 0.000 2.714 127 W HA 0.204 4.864 4.660 0.000 0.000 0.353 127 W C -0.217 176.274 176.519 -0.045 0.000 0.999 127 W CA -0.770 56.567 57.345 -0.013 0.000 1.629 127 W CB 0.447 29.913 29.460 0.010 0.000 1.106 127 W HN -0.335 nan 8.180 nan 0.000 0.545 128 V N 2.416 122.357 119.914 0.046 0.000 2.584 128 V HA -0.161 3.959 4.120 0.000 0.000 0.303 128 V C 1.384 177.401 176.094 -0.128 0.000 1.035 128 V CA 1.486 63.755 62.300 -0.052 0.000 1.172 128 V CB 0.610 32.371 31.823 -0.103 0.000 0.896 128 V HN 0.227 nan 8.190 nan 0.000 0.486 129 T N 3.865 118.284 114.554 -0.225 0.000 2.708 129 T HA -0.053 4.297 4.350 0.000 0.000 0.266 129 T C 1.002 175.238 174.700 -0.775 0.000 1.037 129 T CA 1.327 63.177 62.100 -0.417 0.000 1.146 129 T CB -0.016 68.553 68.868 -0.499 0.000 0.865 129 T HN 0.881 nan 8.240 nan 0.000 0.435 130 A N 0.464 122.815 122.820 -0.783 0.000 2.287 130 A HA 0.579 4.899 4.320 0.000 0.000 0.273 130 A C 1.343 178.786 177.584 -0.234 0.000 1.091 130 A CA -0.486 51.189 52.037 -0.603 0.000 0.817 130 A CB 0.206 19.002 19.000 -0.340 0.000 1.069 130 A HN 0.394 nan 8.150 nan 0.000 0.492 131 L N -0.610 120.574 121.223 -0.066 0.000 2.313 131 L HA 0.049 4.389 4.340 0.000 0.000 0.214 131 L C 0.314 177.139 176.870 -0.075 0.000 1.119 131 L CA 0.867 55.672 54.840 -0.058 0.000 0.809 131 L CB -0.164 41.889 42.059 -0.011 0.000 0.933 131 L HN 0.573 nan 8.230 nan 0.000 0.449 132 E N -0.462 119.686 120.200 -0.087 0.000 2.317 132 E HA 0.400 4.751 4.350 0.000 0.000 0.270 132 E C -0.607 175.902 176.600 -0.151 0.000 0.885 132 E CA -0.620 55.720 56.400 -0.101 0.000 0.760 132 E CB 1.934 31.580 29.700 -0.089 0.000 1.227 132 E HN 0.033 nan 8.360 nan 0.000 0.434 133 R N 1.222 121.637 120.500 -0.141 0.000 2.726 133 R HA 0.148 4.488 4.340 0.000 0.000 0.272 133 R C 0.942 177.060 176.300 -0.303 0.000 1.097 133 R CA -0.380 55.603 56.100 -0.196 0.000 1.198 133 R CB 0.311 30.593 30.300 -0.029 0.000 1.114 133 R HN 0.597 nan 8.270 nan 0.000 0.550 134 N N 0.762 119.135 118.700 -0.545 0.000 2.399 134 N HA -0.071 4.670 4.740 0.000 0.000 0.250 134 N C 0.724 175.980 175.510 -0.423 0.000 1.272 134 N CA -0.294 52.398 53.050 -0.597 0.000 0.928 134 N CB 0.632 38.556 38.487 -0.939 0.000 1.158 134 N HN 0.265 nan 8.380 nan 0.000 0.463 135 L N 0.853 121.884 121.223 -0.320 0.000 2.131 135 L HA -0.160 4.181 4.340 0.000 0.000 0.210 135 L C 2.875 179.616 176.870 -0.215 0.000 1.092 135 L CA 1.950 56.641 54.840 -0.247 0.000 0.759 135 L CB -1.505 40.406 42.059 -0.247 0.000 0.903 135 L HN 0.928 nan 8.230 nan 0.000 0.435 136 T N -4.059 110.365 114.554 -0.216 0.000 2.881 136 T HA -0.246 4.104 4.350 0.000 0.000 0.270 136 T C 1.842 176.525 174.700 -0.028 0.000 1.068 136 T CA 1.115 63.143 62.100 -0.120 0.000 1.131 136 T CB -0.545 68.296 68.868 -0.045 0.000 0.871 136 T HN 0.227 nan 8.240 nan 0.000 0.479 137 Y N 2.135 122.368 120.300 -0.111 0.000 2.352 137 Y HA 0.104 4.654 4.550 0.000 0.000 0.292 137 Y C 2.183 177.984 175.900 -0.165 0.000 1.136 137 Y CA -0.155 57.854 58.100 -0.153 0.000 1.227 137 Y CB -0.953 37.427 38.460 -0.135 0.000 0.991 137 Y HN 0.289 nan 8.280 nan 0.000 0.545 138 D N 0.276 120.661 120.400 -0.026 0.000 2.218 138 D HA -0.112 4.528 4.640 0.000 0.000 0.204 138 D C 1.948 178.183 176.300 -0.107 0.000 0.976 138 D CA 1.322 55.269 54.000 -0.090 0.000 0.853 138 D CB -0.317 40.386 40.800 -0.161 0.000 0.939 138 D HN 0.570 nan 8.370 nan 0.000 0.481 139 I N -3.341 117.164 120.570 -0.108 0.000 3.883 139 I HA 0.376 4.546 4.170 0.000 0.000 0.326 139 I C 0.673 176.743 176.117 -0.078 0.000 1.283 139 I CA -0.016 61.227 61.300 -0.094 0.000 1.161 139 I CB 0.422 38.367 38.000 -0.091 0.000 1.012 139 I HN -0.151 nan 8.210 nan 0.000 0.421 140 A N 1.964 124.710 122.820 -0.124 0.000 3.339 140 A HA 0.241 4.561 4.320 0.000 0.000 0.219 140 A C 0.432 177.790 177.584 -0.377 0.000 0.974 140 A CA -0.139 51.744 52.037 -0.258 0.000 1.050 140 A CB -0.472 18.282 19.000 -0.410 0.000 1.271 140 A HN 0.399 nan 8.150 nan 0.000 0.565 141 D N -0.025 120.282 120.400 -0.155 0.000 2.312 141 D HA -0.200 4.440 4.640 0.000 0.000 0.211 141 D C 1.501 177.708 176.300 -0.155 0.000 0.964 141 D CA 1.049 54.963 54.000 -0.144 0.000 0.877 141 D CB -0.398 40.375 40.800 -0.045 0.000 0.924 141 D HN 0.772 nan 8.370 nan 0.000 0.515 142 W N 1.848 123.034 121.300 -0.190 0.000 2.519 142 W HA -0.022 4.638 4.660 0.000 0.000 0.266 142 W C 1.510 177.879 176.519 -0.250 0.000 1.253 142 W CA 1.098 58.329 57.345 -0.189 0.000 1.274 142 W CB -1.010 28.343 29.460 -0.178 0.000 1.114 142 W HN 0.004 nan 8.180 nan 0.000 0.596 143 V N 1.760 121.038 119.914 -1.061 0.000 2.626 143 V HA -0.169 3.951 4.120 0.000 0.000 0.252 143 V C 1.063 176.806 176.094 -0.586 0.000 1.067 143 V CA 2.279 63.879 62.300 -1.166 0.000 1.081 143 V CB -1.233 29.573 31.823 -1.694 0.000 0.686 143 V HN 0.294 nan 8.190 nan 0.000 0.468 144 N N 0.253 118.676 118.700 -0.463 0.000 2.307 144 N HA 0.129 4.869 4.740 0.000 0.000 0.248 144 N C -0.351 175.077 175.510 -0.137 0.000 1.322 144 N CA 0.020 52.899 53.050 -0.284 0.000 0.861 144 N CB -0.390 37.899 38.487 -0.330 0.000 1.303 144 N HN 0.721 nan 8.380 nan 0.000 0.498 145 D N 0.140 120.472 120.400 -0.113 0.000 2.411 145 D HA 0.141 4.781 4.640 0.000 0.000 0.251 145 D C 0.509 176.785 176.300 -0.040 0.000 1.201 145 D CA -0.443 53.593 54.000 0.060 0.000 0.996 145 D CB 0.490 41.316 40.800 0.043 0.000 1.101 145 D HN 0.163 nan 8.370 nan 0.000 0.504 146 N N -0.519 118.159 118.700 -0.037 0.000 2.338 146 N HA 0.039 4.779 4.740 0.000 0.000 0.251 146 N C -0.773 174.780 175.510 0.072 0.000 1.199 146 N CA -0.469 52.469 53.050 -0.187 0.000 0.879 146 N CB 0.044 38.139 38.487 -0.654 0.000 1.159 146 N HN 0.187 nan 8.380 nan 0.000 0.514 147 V N 0.528 120.528 119.914 0.144 0.000 2.055 147 V HA 0.666 4.786 4.120 0.000 0.000 0.248 147 V C 1.004 177.186 176.094 0.147 0.000 1.476 147 V CA 0.312 62.679 62.300 0.112 0.000 1.417 147 V CB -0.912 30.955 31.823 0.073 0.000 1.465 147 V HN 0.660 nan 8.190 nan 0.000 0.502 148 G N 2.283 111.087 108.800 0.007 0.000 2.351 148 G HA2 0.407 4.367 3.960 0.000 0.000 0.279 148 G HA3 0.407 4.367 3.960 0.000 0.000 0.279 148 G C -0.852 173.523 174.900 -0.874 0.000 1.297 148 G CA -0.176 44.662 45.100 -0.437 0.000 0.886 148 G HN 0.283 nan 8.290 nan 0.000 0.493 149 T N -0.528 113.241 114.554 -1.307 0.000 2.993 149 T HA 0.818 5.168 4.350 0.000 0.000 0.312 149 T C 0.188 174.302 174.700 -0.978 0.000 1.115 149 T CA 0.240 61.780 62.100 -0.934 0.000 1.027 149 T CB 1.661 70.270 68.868 -0.433 0.000 1.116 149 T HN 1.937 nan 8.240 nan 0.000 0.464 150 G N 1.058 109.533 108.800 -0.542 0.000 2.650 150 G HA2 0.761 4.721 3.960 0.000 0.000 0.310 150 G HA3 0.761 4.721 3.960 0.000 0.000 0.310 150 G C -2.025 173.010 174.900 0.226 0.000 1.270 150 G CA -0.713 44.315 45.100 -0.120 0.000 0.810 150 G HN 0.752 nan 8.290 nan 0.000 0.493 151 I N 0.563 121.294 120.570 0.268 0.000 2.534 151 I HA 0.441 4.611 4.170 0.000 0.000 0.288 151 I C -0.644 175.558 176.117 0.142 0.000 1.077 151 I CA -0.496 60.871 61.300 0.111 0.000 1.051 151 I CB 2.444 40.426 38.000 -0.029 0.000 1.234 151 I HN 0.490 nan 8.210 nan 0.000 0.425 152 Q N 4.708 124.492 119.800 -0.027 0.000 2.365 152 Q HA 0.839 5.179 4.340 0.000 0.000 0.269 152 Q C -1.609 174.287 176.000 -0.173 0.000 1.061 152 Q CA -0.747 55.016 55.803 -0.068 0.000 0.816 152 Q CB 2.664 31.286 28.738 -0.193 0.000 1.325 152 Q HN 0.806 nan 8.270 nan 0.000 0.446 153 A N 2.152 124.910 122.820 -0.104 0.000 2.330 153 A HA 0.805 5.125 4.320 0.000 0.000 0.327 153 A C -0.976 176.537 177.584 -0.118 0.000 1.155 153 A CA -0.293 51.684 52.037 -0.100 0.000 0.803 153 A CB 1.440 20.399 19.000 -0.068 0.000 1.208 153 A HN 0.787 nan 8.150 nan 0.000 0.477 154 S N 0.415 116.046 115.700 -0.114 0.000 2.579 154 S HA 0.862 5.332 4.470 0.000 0.000 0.272 154 S C -0.723 173.808 174.600 -0.115 0.000 1.141 154 S CA -0.356 57.734 58.200 -0.182 0.000 0.843 154 S CB 1.649 64.805 63.200 -0.074 0.000 1.122 154 S HN 1.729 nan 8.310 nan 0.000 0.468 155 S N 0.630 116.206 115.700 -0.206 0.000 2.548 155 S HA 0.520 4.990 4.470 0.000 0.000 0.278 155 S C -1.206 173.394 174.600 0.001 0.000 1.150 155 S CA -0.573 57.592 58.200 -0.058 0.000 0.907 155 S CB 1.315 64.471 63.200 -0.072 0.000 1.108 155 S HN 0.947 nan 8.310 nan 0.000 0.459 156 V N 4.107 124.108 119.914 0.145 0.000 2.637 156 V HA 0.409 4.529 4.120 0.000 0.000 0.296 156 V C -0.125 175.994 176.094 0.042 0.000 1.046 156 V CA -0.113 62.273 62.300 0.143 0.000 1.066 156 V CB 1.304 33.176 31.823 0.081 0.000 0.968 156 V HN 0.663 nan 8.190 nan 0.000 0.483 157 V N 3.710 123.645 119.914 0.035 0.000 2.444 157 V HA 0.657 4.777 4.120 0.000 0.000 0.294 157 V C 0.893 177.006 176.094 0.032 0.000 1.022 157 V CA 0.240 62.550 62.300 0.016 0.000 0.850 157 V CB 1.048 32.869 31.823 -0.003 0.000 0.992 157 V HN 1.146 nan 8.190 nan 0.000 0.426 158 G N 3.612 112.428 108.800 0.025 0.000 2.233 158 G HA2 -0.076 3.884 3.960 0.000 0.000 0.270 158 G HA3 -0.076 3.884 3.960 0.000 0.000 0.270 158 G C 1.254 176.182 174.900 0.047 0.000 1.011 158 G CA 0.812 45.935 45.100 0.038 0.000 0.762 158 G HN 2.355 nan 8.290 nan 0.000 0.511 159 G N -0.989 107.822 108.800 0.020 0.000 2.186 159 G HA2 -0.210 3.751 3.960 0.000 0.000 0.266 159 G HA3 -0.210 3.751 3.960 0.000 0.000 0.266 159 G C 0.955 175.828 174.900 -0.044 0.000 0.982 159 G CA 1.797 46.891 45.100 -0.009 0.000 0.670 159 G HN 2.041 nan 8.290 nan 0.000 0.533 160 M N -2.778 116.832 119.600 0.017 0.000 2.314 160 M HA 0.772 5.252 4.480 0.000 0.000 0.383 160 M C 0.260 176.617 176.300 0.096 0.000 0.984 160 M CA 0.425 55.761 55.300 0.061 0.000 0.982 160 M CB 0.964 33.677 32.600 0.188 0.000 1.745 160 M HN 1.080 nan 8.290 nan 0.000 0.600 161 A N 0.951 123.825 122.820 0.091 0.000 2.594 161 A HA 0.856 5.176 4.320 0.000 0.000 0.291 161 A C -2.177 175.502 177.584 0.158 0.000 1.105 161 A CA -0.541 51.587 52.037 0.152 0.000 0.694 161 A CB 1.806 20.922 19.000 0.192 0.000 1.291 161 A HN 0.382 nan 8.150 nan 0.000 0.410 162 F N 0.522 120.463 119.950 -0.015 0.000 2.574 162 F HA 0.757 5.284 4.527 0.000 0.000 0.313 162 F C -1.746 174.042 175.800 -0.020 0.000 1.130 162 F CA -0.814 57.166 58.000 -0.033 0.000 0.936 162 F CB 1.503 40.472 39.000 -0.051 0.000 1.219 162 F HN 0.503 nan 8.300 nan 0.000 0.445 163 L N 5.302 126.039 121.223 -0.809 0.000 2.386 163 L HA 0.753 5.093 4.340 0.000 0.000 0.271 163 L C -0.758 175.593 176.870 -0.864 0.000 0.993 163 L CA -0.745 53.724 54.840 -0.619 0.000 0.819 163 L CB 2.234 44.114 42.059 -0.299 0.000 1.294 163 L HN 0.735 nan 8.230 nan 0.000 0.414 164 S N 0.870 116.250 115.700 -0.534 0.000 2.595 164 S HA 0.991 5.461 4.470 0.000 0.000 0.281 164 S C -0.609 173.916 174.600 -0.126 0.000 1.117 164 S CA -0.595 57.409 58.200 -0.327 0.000 0.873 164 S CB 2.508 65.585 63.200 -0.205 0.000 1.108 164 S HN 0.896 nan 8.310 nan 0.000 0.477 165 G N 0.260 109.023 108.800 -0.061 0.000 2.732 165 G HA2 0.664 4.624 3.960 0.000 0.000 0.296 165 G HA3 0.664 4.624 3.960 0.000 0.000 0.296 165 G C -1.110 173.822 174.900 0.053 0.000 1.448 165 G CA -0.274 44.837 45.100 0.018 0.000 0.911 165 G HN 1.620 nan 8.290 nan 0.000 0.528 166 S N -1.273 114.491 115.700 0.107 0.000 2.579 166 S HA 0.795 5.265 4.470 0.000 0.000 0.272 166 S C -1.454 173.214 174.600 0.112 0.000 1.141 166 S CA -0.861 57.422 58.200 0.138 0.000 0.843 166 S CB 1.908 65.245 63.200 0.227 0.000 1.122 166 S HN 1.729 nan 8.310 nan 0.000 0.468 167 V N 2.258 122.215 119.914 0.072 0.000 2.555 167 V HA 0.852 4.972 4.120 0.000 0.000 0.302 167 V C -1.910 174.200 176.094 0.028 0.000 1.038 167 V CA -0.748 61.477 62.300 -0.126 0.000 0.887 167 V CB 1.399 33.125 31.823 -0.161 0.000 0.991 167 V HN 0.886 nan 8.190 nan 0.000 0.434 168 F N 4.615 124.409 119.950 -0.260 0.000 2.539 168 F HA 0.544 5.071 4.527 0.000 0.000 0.318 168 F C 0.170 175.853 175.800 -0.195 0.000 1.135 168 F CA -0.368 57.510 58.000 -0.204 0.000 0.915 168 F CB 2.272 41.160 39.000 -0.187 0.000 1.176 168 F HN 0.479 nan 8.300 nan 0.000 0.440 169 S N 5.275 120.710 115.700 -0.441 0.000 2.400 169 S HA 0.250 4.720 4.470 0.000 0.000 0.295 169 S C -0.129 174.251 174.600 -0.366 0.000 1.113 169 S CA -0.490 57.515 58.200 -0.325 0.000 1.064 169 S CB -0.263 62.768 63.200 -0.282 0.000 0.990 169 S HN 0.694 nan 8.310 nan 0.000 0.502 170 E N 3.294 123.405 120.200 -0.149 0.000 2.392 170 E HA 0.096 4.446 4.350 0.000 0.000 0.259 170 E C 0.180 176.720 176.600 -0.099 0.000 1.108 170 E CA -0.438 55.924 56.400 -0.063 0.000 0.916 170 E CB 0.329 30.024 29.700 -0.008 0.000 0.989 170 E HN 0.608 nan 8.360 nan 0.000 0.432 171 N N 1.777 120.436 118.700 -0.068 0.000 2.416 171 N HA 0.028 4.768 4.740 0.000 0.000 0.215 171 N C -1.047 174.433 175.510 -0.050 0.000 1.208 171 N CA 0.196 53.206 53.050 -0.066 0.000 0.834 171 N CB -0.273 38.181 38.487 -0.056 0.000 1.072 171 N HN 0.328 nan 8.380 nan 0.000 0.472 172 N N 0.167 118.834 118.700 -0.055 0.000 2.372 172 N HA 0.295 5.035 4.740 0.000 0.000 0.291 172 N C -0.876 174.602 175.510 -0.052 0.000 1.024 172 N CA -0.673 52.346 53.050 -0.052 0.000 0.873 172 N CB 1.034 39.480 38.487 -0.069 0.000 1.206 172 N HN -0.075 nan 8.380 nan 0.000 0.486 173 N N 0.877 119.553 118.700 -0.040 0.000 2.430 173 N HA 0.215 4.955 4.740 0.000 0.000 0.298 173 N C -0.861 174.633 175.510 -0.026 0.000 1.130 173 N CA -0.598 52.432 53.050 -0.034 0.000 0.894 173 N CB 1.142 39.612 38.487 -0.028 0.000 1.209 173 N HN 0.629 nan 8.380 nan 0.000 0.503 174 D N -1.491 118.896 120.400 -0.022 0.000 2.447 174 D HA 0.046 4.686 4.640 0.000 0.000 0.265 174 D C 1.079 177.372 176.300 -0.011 0.000 1.250 174 D CA -0.235 53.757 54.000 -0.013 0.000 1.046 174 D CB -0.209 40.586 40.800 -0.008 0.000 1.095 174 D HN 0.343 nan 8.370 nan 0.000 0.555 175 T N -1.813 112.737 114.554 -0.007 0.000 3.007 175 T HA -0.111 4.240 4.350 0.000 0.000 0.270 175 T C 0.604 175.300 174.700 -0.007 0.000 1.107 175 T CA 1.081 63.177 62.100 -0.007 0.000 1.118 175 T CB -0.476 68.388 68.868 -0.006 0.000 0.889 175 T HN 0.297 nan 8.240 nan 0.000 0.506 176 D N 0.048 120.444 120.400 -0.007 0.000 2.339 176 D HA 0.225 4.865 4.640 0.000 0.000 0.217 176 D C 1.549 177.843 176.300 -0.010 0.000 1.050 176 D CA 0.784 54.780 54.000 -0.006 0.000 0.856 176 D CB -0.052 40.746 40.800 -0.003 0.000 0.922 176 D HN 0.557 nan 8.370 nan 0.000 0.518 177 G N 1.661 110.453 108.800 -0.013 0.000 2.136 177 G HA2 -0.251 3.709 3.960 0.000 0.000 0.242 177 G HA3 -0.251 3.709 3.960 0.000 0.000 0.242 177 G C -0.059 174.828 174.900 -0.021 0.000 0.989 177 G CA 0.042 45.131 45.100 -0.018 0.000 0.682 177 G HN 0.297 nan 8.290 nan 0.000 0.522 178 D N 1.192 121.581 120.400 -0.018 0.000 2.249 178 D HA 0.529 5.169 4.640 0.000 0.000 0.246 178 D C 1.066 177.350 176.300 -0.027 0.000 1.114 178 D CA 0.482 54.471 54.000 -0.018 0.000 0.854 178 D CB 0.953 41.749 40.800 -0.007 0.000 1.132 178 D HN 0.461 nan 8.370 nan 0.000 0.461 179 S N 1.946 117.622 115.700 -0.039 0.000 2.562 179 S HA 0.185 4.655 4.470 0.000 0.000 0.281 179 S C 0.330 174.900 174.600 -0.050 0.000 1.333 179 S CA -0.967 57.200 58.200 -0.055 0.000 1.052 179 S CB 0.911 64.062 63.200 -0.081 0.000 0.884 179 S HN 0.260 nan 8.310 nan 0.000 0.506 180 V N 3.914 123.791 119.914 -0.062 0.000 2.540 180 V HA 0.099 4.219 4.120 0.000 0.000 0.297 180 V C 0.462 176.514 176.094 -0.070 0.000 1.024 180 V CA 0.124 62.381 62.300 -0.071 0.000 1.105 180 V CB -0.205 31.549 31.823 -0.115 0.000 0.938 180 V HN 0.748 nan 8.190 nan 0.000 0.482 181 K N 5.474 125.849 120.400 -0.041 0.000 2.234 181 K HA 0.448 4.768 4.320 0.000 0.000 0.277 181 K C -0.190 176.344 176.600 -0.110 0.000 1.038 181 K CA -0.495 55.740 56.287 -0.087 0.000 0.888 181 K CB 1.452 33.940 32.500 -0.021 0.000 1.091 181 K HN 0.593 nan 8.250 nan 0.000 0.467 182 R N 2.581 122.987 120.500 -0.158 0.000 2.346 182 R HA 0.315 4.655 4.340 0.000 0.000 0.311 182 R C -1.061 175.119 176.300 -0.200 0.000 0.983 182 R CA -0.430 55.652 56.100 -0.030 0.000 0.880 182 R CB 0.618 31.000 30.300 0.135 0.000 1.100 182 R HN 0.454 nan 8.270 nan 0.000 0.453 183 Y N 2.420 122.830 120.300 0.183 0.000 2.341 183 Y HA 0.404 4.954 4.550 0.000 0.000 0.338 183 Y C 0.083 176.046 175.900 0.105 0.000 0.965 183 Y CA -0.735 57.463 58.100 0.164 0.000 1.108 183 Y CB 1.955 40.538 38.460 0.205 0.000 1.180 183 Y HN 0.476 nan 8.280 nan 0.000 0.458 184 N N 3.893 122.713 118.700 0.199 0.000 2.238 184 N HA 0.625 5.365 4.740 0.000 0.000 0.302 184 N C -1.612 173.978 175.510 0.132 0.000 1.072 184 N CA -0.626 52.498 53.050 0.123 0.000 0.792 184 N CB 2.569 41.100 38.487 0.073 0.000 1.425 184 N HN 0.499 nan 8.380 nan 0.000 0.478 185 L N 1.313 122.604 121.223 0.113 0.000 2.422 185 L HA 0.570 4.910 4.340 0.000 0.000 0.264 185 L C -0.457 176.427 176.870 0.023 0.000 0.984 185 L CA -0.645 54.238 54.840 0.071 0.000 0.819 185 L CB 2.880 44.994 42.059 0.092 0.000 1.330 185 L HN 0.398 nan 8.230 nan 0.000 0.410 186 R N 1.223 121.714 120.500 -0.014 0.000 2.548 186 R HA 0.710 5.050 4.340 0.000 0.000 0.280 186 R C -1.276 174.999 176.300 -0.041 0.000 1.061 186 R CA -0.490 55.593 56.100 -0.028 0.000 0.915 186 R CB 2.313 32.613 30.300 0.001 0.000 1.210 186 R HN 0.748 nan 8.270 nan 0.000 0.442 187 G N 2.301 111.098 108.800 -0.005 0.000 2.707 187 G HA2 0.518 4.478 3.960 0.000 0.000 0.299 187 G HA3 0.518 4.478 3.960 0.000 0.000 0.299 187 G C -1.619 173.306 174.900 0.042 0.000 1.442 187 G CA -0.342 44.757 45.100 -0.002 0.000 1.009 187 G HN 0.356 nan 8.290 nan 0.000 0.515 188 V N 2.877 122.831 119.914 0.067 0.000 2.487 188 V HA 0.484 4.604 4.120 0.000 0.000 0.298 188 V C -1.053 175.098 176.094 0.096 0.000 1.028 188 V CA -0.852 61.455 62.300 0.013 0.000 0.860 188 V CB 1.643 33.424 31.823 -0.071 0.000 0.991 188 V HN 0.683 nan 8.190 nan 0.000 0.427 189 F N 4.980 124.873 119.950 -0.095 0.000 2.391 189 F HA 0.738 5.265 4.527 0.000 0.000 0.359 189 F C 0.331 176.089 175.800 -0.070 0.000 1.122 189 F CA -1.260 56.708 58.000 -0.054 0.000 1.120 189 F CB 1.082 40.063 39.000 -0.032 0.000 1.142 189 F HN 0.512 nan 8.300 nan 0.000 0.483 190 A N 9.043 131.658 122.820 -0.343 0.000 3.030 190 A HA 0.431 4.751 4.320 0.000 0.000 0.335 190 A C -2.193 175.226 177.584 -0.274 0.000 1.089 190 A CA -1.011 50.839 52.037 -0.312 0.000 0.807 190 A CB -0.040 18.924 19.000 -0.061 0.000 1.099 190 A HN 0.526 nan 8.150 nan 0.000 0.474 191 P HA -0.032 nan 4.420 nan 0.000 0.223 191 P C 0.125 177.348 177.300 -0.129 0.000 1.151 191 P CA 0.854 63.750 63.100 -0.340 0.000 0.787 191 P CB 0.279 31.683 31.700 -0.493 0.000 0.788 192 L N 1.483 122.605 121.223 -0.168 0.000 2.319 192 L HA 0.353 4.693 4.340 0.000 0.000 0.281 192 L C 0.867 177.618 176.870 -0.199 0.000 1.005 192 L CA -0.575 54.143 54.840 -0.203 0.000 0.828 192 L CB 1.215 43.195 42.059 -0.131 0.000 1.227 192 L HN 0.116 nan 8.230 nan 0.000 0.415 193 H N 0.404 119.399 119.070 -0.125 0.000 2.907 193 H HA 0.392 4.948 4.556 0.000 0.000 0.233 193 H C -0.840 174.501 175.328 0.022 0.000 1.285 193 H CA -0.631 55.355 56.048 -0.104 0.000 0.981 193 H CB 0.457 30.261 29.762 0.069 0.000 2.255 193 H HN 0.410 nan 8.280 nan 0.000 0.601 194 E N 1.894 122.029 120.200 -0.108 0.000 2.212 194 E HA 0.345 4.695 4.350 0.000 0.000 0.270 194 E C -2.721 173.884 176.600 0.008 0.000 0.956 194 E CA -2.522 53.865 56.400 -0.022 0.000 0.825 194 E CB 1.804 31.457 29.700 -0.078 0.000 1.167 194 E HN 0.156 nan 8.360 nan 0.000 0.400 195 P HA -0.014 nan 4.420 nan 0.000 0.260 195 P C 0.703 178.010 177.300 0.013 0.000 1.172 195 P CA 1.224 64.352 63.100 0.047 0.000 0.760 195 P CB 0.160 31.867 31.700 0.011 0.000 0.773 196 G N 2.261 111.077 108.800 0.026 0.000 2.162 196 G HA2 -0.268 3.693 3.960 0.000 0.000 0.260 196 G HA3 -0.268 3.693 3.960 0.000 0.000 0.260 196 G C 0.324 175.225 174.900 0.001 0.000 0.976 196 G CA 0.099 45.198 45.100 -0.002 0.000 0.655 196 G HN 0.666 nan 8.290 nan 0.000 0.533 197 N N -0.654 118.044 118.700 -0.003 0.000 2.824 197 N HA 0.421 5.161 4.740 0.000 0.000 0.224 197 N C -0.932 174.550 175.510 -0.048 0.000 1.418 197 N CA -0.025 53.027 53.050 0.002 0.000 0.743 197 N CB 1.068 39.545 38.487 -0.017 0.000 1.395 197 N HN 0.267 nan 8.380 nan 0.000 0.548 198 V N 1.300 121.204 119.914 -0.017 0.000 2.540 198 V HA 0.632 4.753 4.120 0.000 0.000 0.302 198 V C -0.293 175.831 176.094 0.050 0.000 1.035 198 V CA -0.767 61.436 62.300 -0.162 0.000 0.873 198 V CB 2.005 33.578 31.823 -0.417 0.000 0.992 198 V HN 0.119 nan 8.190 nan 0.000 0.428 199 V N 4.430 124.312 119.914 -0.053 0.000 2.482 199 V HA 0.483 4.603 4.120 0.000 0.000 0.295 199 V C -0.814 175.245 176.094 -0.058 0.000 1.026 199 V CA -0.485 61.807 62.300 -0.013 0.000 0.856 199 V CB 1.551 33.319 31.823 -0.092 0.000 1.001 199 V HN 0.943 nan 8.190 nan 0.000 0.424 200 H N 5.771 124.793 119.070 -0.080 0.000 2.823 200 H HA 0.617 5.173 4.556 0.000 0.000 0.332 200 H C -2.031 173.320 175.328 0.039 0.000 0.980 200 H CA -0.679 55.345 56.048 -0.040 0.000 1.286 200 H CB 2.028 31.773 29.762 -0.029 0.000 1.541 200 H HN 0.560 nan 8.280 nan 0.000 0.521 201 L N 5.144 126.375 121.223 0.013 0.000 2.349 201 L HA 0.685 5.025 4.340 0.000 0.000 0.278 201 L C -0.626 176.266 176.870 0.036 0.000 0.996 201 L CA -0.160 54.747 54.840 0.111 0.000 0.825 201 L CB 1.658 43.800 42.059 0.139 0.000 1.243 201 L HN 0.754 nan 8.230 nan 0.000 0.412 202 G N 4.360 113.231 108.800 0.118 0.000 2.524 202 G HA2 0.636 4.596 3.960 0.000 0.000 0.310 202 G HA3 0.636 4.596 3.960 0.000 0.000 0.310 202 G C -2.198 172.765 174.900 0.104 0.000 1.279 202 G CA -0.532 44.624 45.100 0.095 0.000 0.974 202 G HN 0.620 nan 8.290 nan 0.000 0.484 203 L N 0.947 122.218 121.223 0.079 0.000 2.401 203 L HA 0.723 5.063 4.340 0.000 0.000 0.266 203 L C -0.477 176.410 176.870 0.028 0.000 0.991 203 L CA -0.559 54.344 54.840 0.104 0.000 0.818 203 L CB 2.091 44.248 42.059 0.163 0.000 1.321 203 L HN 0.737 nan 8.230 nan 0.000 0.413 204 Q N 3.474 123.254 119.800 -0.034 0.000 2.418 204 Q HA 0.440 4.780 4.340 0.000 0.000 0.282 204 Q C -1.982 173.960 176.000 -0.096 0.000 1.044 204 Q CA -0.869 54.793 55.803 -0.236 0.000 0.813 204 Q CB 2.643 30.895 28.738 -0.810 0.000 1.428 204 Q HN 0.601 nan 8.270 nan 0.000 0.402 205 Y N 0.345 120.521 120.300 -0.207 0.000 2.470 205 Y HA 0.722 5.272 4.550 0.000 0.000 0.341 205 Y C -2.014 173.863 175.900 -0.037 0.000 1.021 205 Y CA -0.400 57.502 58.100 -0.330 0.000 1.025 205 Y CB 2.242 40.212 38.460 -0.815 0.000 1.266 205 Y HN 0.992 nan 8.280 nan 0.000 0.448 206 A N 5.091 127.506 122.820 -0.676 0.000 2.414 206 A HA 0.753 5.074 4.320 0.000 0.000 0.306 206 A C -2.537 174.784 177.584 -0.439 0.000 1.054 206 A CA -0.631 51.118 52.037 -0.479 0.000 0.724 206 A CB 1.291 19.973 19.000 -0.529 0.000 1.267 206 A HN 0.833 nan 8.150 nan 0.000 0.418 207 Y N 1.641 121.862 120.300 -0.130 0.000 2.513 207 Y HA 0.696 5.246 4.550 0.000 0.000 0.340 207 Y C -0.547 175.445 175.900 0.153 0.000 1.055 207 Y CA -0.642 57.465 58.100 0.013 0.000 1.020 207 Y CB 1.658 40.089 38.460 -0.049 0.000 1.301 207 Y HN 0.895 nan 8.280 nan 0.000 0.453 208 R N 3.246 123.218 120.500 -0.880 0.000 2.584 208 R HA 0.392 4.732 4.340 0.000 0.000 0.276 208 R C -2.080 173.645 176.300 -0.959 0.000 1.046 208 R CA -0.945 54.718 56.100 -0.728 0.000 0.906 208 R CB 1.825 31.750 30.300 -0.626 0.000 1.215 208 R HN 0.566 nan 8.270 nan 0.000 0.449 209 D N 3.348 123.457 120.400 -0.486 0.000 2.317 209 D HA 0.157 4.797 4.640 0.000 0.000 0.252 209 D C 0.313 176.513 176.300 -0.166 0.000 1.174 209 D CA -0.439 53.431 54.000 -0.217 0.000 0.866 209 D CB 1.160 42.000 40.800 0.067 0.000 1.127 209 D HN 0.676 nan 8.370 nan 0.000 0.467 210 L N 2.753 123.894 121.223 -0.136 0.000 2.728 210 L HA 0.153 4.493 4.340 0.000 0.000 0.238 210 L C 0.705 177.578 176.870 0.006 0.000 1.143 210 L CA -0.237 54.554 54.840 -0.082 0.000 0.937 210 L CB 0.109 42.122 42.059 -0.077 0.000 1.225 210 L HN 0.275 nan 8.230 nan 0.000 0.507 211 E N 1.727 121.937 120.200 0.016 0.000 2.480 211 E HA -0.097 4.254 4.350 0.000 0.000 0.258 211 E C -0.067 176.543 176.600 0.017 0.000 0.984 211 E CA 0.508 56.926 56.400 0.030 0.000 0.930 211 E CB 0.371 30.093 29.700 0.037 0.000 0.936 211 E HN 0.180 nan 8.360 nan 0.000 0.466 212 D N 1.276 121.684 120.400 0.013 0.000 2.945 212 D HA -0.145 4.495 4.640 0.000 0.000 0.225 212 D C -0.666 175.636 176.300 0.002 0.000 1.158 212 D CA 0.988 54.990 54.000 0.003 0.000 0.805 212 D CB -1.130 39.672 40.800 0.003 0.000 1.098 212 D HN 0.189 nan 8.370 nan 0.000 0.426 213 S N -0.550 115.155 115.700 0.009 0.000 2.578 213 S HA 0.745 5.215 4.470 0.000 0.000 0.301 213 S C 0.090 174.703 174.600 0.021 0.000 1.091 213 S CA -0.384 57.817 58.200 0.003 0.000 1.032 213 S CB 2.322 65.512 63.200 -0.017 0.000 1.064 213 S HN 0.350 nan 8.310 nan 0.000 0.508 214 A N 2.228 125.054 122.820 0.010 0.000 2.256 214 A HA 0.698 5.018 4.320 0.000 0.000 0.317 214 A C -0.833 176.760 177.584 0.015 0.000 1.318 214 A CA -0.523 51.527 52.037 0.023 0.000 0.894 214 A CB 0.059 19.065 19.000 0.009 0.000 1.165 214 A HN 0.590 nan 8.150 nan 0.000 0.525 215 V N 2.606 122.545 119.914 0.042 0.000 2.686 215 V HA 0.252 4.372 4.120 0.000 0.000 0.306 215 V C -0.771 175.342 176.094 0.031 0.000 1.065 215 V CA -0.823 61.475 62.300 -0.004 0.000 0.894 215 V CB 2.110 33.881 31.823 -0.087 0.000 1.004 215 V HN 0.918 nan 8.190 nan 0.000 0.424 216 D N 3.046 123.450 120.400 0.008 0.000 2.358 216 D HA 0.179 4.819 4.640 0.000 0.000 0.258 216 D C 1.037 177.333 176.300 -0.007 0.000 1.223 216 D CA 0.362 54.377 54.000 0.026 0.000 0.886 216 D CB 1.518 42.330 40.800 0.020 0.000 1.120 216 D HN 0.774 nan 8.370 nan 0.000 0.482 217 T N 0.638 115.203 114.554 0.018 0.000 3.129 217 T HA 0.227 4.577 4.350 0.000 0.000 0.267 217 T C 0.843 175.547 174.700 0.007 0.000 1.018 217 T CA -0.556 61.508 62.100 -0.061 0.000 0.903 217 T CB -0.019 68.707 68.868 -0.237 0.000 1.067 217 T HN 0.205 nan 8.240 nan 0.000 0.549 218 R N 1.306 121.836 120.500 0.050 0.000 2.458 218 R HA 0.328 4.668 4.340 0.000 0.000 0.303 218 R C -0.415 175.912 176.300 0.045 0.000 1.013 218 R CA 0.100 56.240 56.100 0.066 0.000 1.026 218 R CB 0.183 30.524 30.300 0.067 0.000 0.948 218 R HN 0.441 nan 8.270 nan 0.000 0.417 219 I N 4.508 125.113 120.570 0.060 0.000 2.297 219 I HA 0.204 4.374 4.170 0.000 0.000 0.291 219 I C 0.448 176.589 176.117 0.040 0.000 1.033 219 I CA -0.072 61.244 61.300 0.026 0.000 1.253 219 I CB 0.783 38.799 38.000 0.027 0.000 1.396 219 I HN 0.417 nan 8.210 nan 0.000 0.476 220 R N 6.531 127.023 120.500 -0.013 0.000 2.629 220 R HA 0.316 4.656 4.340 0.000 0.000 0.277 220 R C -2.667 173.594 176.300 -0.065 0.000 1.637 220 R CA -1.660 54.448 56.100 0.013 0.000 1.663 220 R CB 0.809 31.133 30.300 0.041 0.000 1.228 220 R HN 0.270 nan 8.270 nan 0.000 0.632 221 P HA 0.128 nan 4.420 nan 0.000 0.271 221 P C 0.103 177.363 177.300 -0.067 0.000 1.216 221 P CA -0.286 62.678 63.100 -0.226 0.000 0.771 221 P CB 0.850 32.250 31.700 -0.500 0.000 0.864 222 R N 2.629 123.101 120.500 -0.046 0.000 2.307 222 R HA 0.122 4.462 4.340 0.000 0.000 0.199 222 R C 0.341 176.711 176.300 0.116 0.000 1.000 222 R CA 0.227 56.334 56.100 0.012 0.000 1.023 222 R CB -0.322 29.938 30.300 -0.068 0.000 0.908 222 R HN 0.394 nan 8.270 nan 0.000 0.473 223 M N -0.619 119.016 119.600 0.057 0.000 2.653 223 M HA -0.200 4.280 4.480 0.000 0.000 0.203 223 M C 0.676 177.082 176.300 0.176 0.000 0.502 223 M CA 1.371 56.734 55.300 0.105 0.000 0.601 223 M CB -2.356 30.354 32.600 0.182 0.000 2.228 223 M HN 0.606 nan 8.290 nan 0.000 0.711 224 G N -1.176 107.644 108.800 0.033 0.000 2.175 224 G HA2 -0.227 3.733 3.960 0.000 0.000 0.244 224 G HA3 -0.227 3.733 3.960 0.000 0.000 0.244 224 G C 0.044 174.879 174.900 -0.108 0.000 0.982 224 G CA 0.360 45.446 45.100 -0.022 0.000 0.641 224 G HN 0.406 nan 8.290 nan 0.000 0.527 225 M N 0.096 119.569 119.600 -0.213 0.000 2.022 225 M HA 0.471 4.951 4.480 0.000 0.000 0.298 225 M C 1.043 177.089 176.300 -0.424 0.000 0.909 225 M CA -0.910 54.099 55.300 -0.485 0.000 0.914 225 M CB 1.424 33.348 32.600 -1.127 0.000 1.486 225 M HN 0.151 nan 8.290 nan 0.000 0.415 226 R N 2.765 123.095 120.500 -0.283 0.000 2.105 226 R HA -0.062 4.278 4.340 0.000 0.000 0.239 226 R C 1.721 177.785 176.300 -0.393 0.000 1.135 226 R CA 2.369 58.316 56.100 -0.254 0.000 0.967 226 R CB -0.568 29.661 30.300 -0.118 0.000 0.861 226 R HN 0.885 nan 8.270 nan 0.000 0.442 227 G N -0.206 108.331 108.800 -0.439 0.000 2.586 227 G HA2 -0.161 3.799 3.960 0.000 0.000 0.215 227 G HA3 -0.161 3.799 3.960 0.000 0.000 0.215 227 G C 1.346 176.073 174.900 -0.289 0.000 1.128 227 G CA 0.807 45.701 45.100 -0.343 0.000 0.774 227 G HN 0.371 nan 8.290 nan 0.000 0.543 228 V N -2.317 117.292 119.914 -0.508 0.000 2.594 228 V HA 0.167 4.287 4.120 0.000 0.000 0.253 228 V C 0.926 176.970 176.094 -0.082 0.000 1.069 228 V CA 1.494 63.671 62.300 -0.205 0.000 1.082 228 V CB -0.035 31.687 31.823 -0.168 0.000 0.680 228 V HN 0.280 nan 8.190 nan 0.000 0.469 229 S N -1.214 114.397 115.700 -0.147 0.000 2.599 229 S HA 0.537 5.007 4.470 0.000 0.000 0.269 229 S C -0.695 173.802 174.600 -0.172 0.000 1.135 229 S CA 0.314 58.447 58.200 -0.112 0.000 1.027 229 S CB 1.270 64.432 63.200 -0.064 0.000 1.129 229 S HN 0.883 nan 8.310 nan 0.000 0.458 230 T N 3.778 118.212 114.554 -0.199 0.000 2.885 230 T HA 0.503 4.853 4.350 0.000 0.000 0.322 230 T C -1.148 173.458 174.700 -0.157 0.000 1.387 230 T CA -0.580 61.369 62.100 -0.251 0.000 1.041 230 T CB 1.076 69.602 68.868 -0.570 0.000 1.287 230 T HN 0.543 nan 8.240 nan 0.000 0.491 231 N N 0.386 119.039 118.700 -0.079 0.000 2.364 231 N HA 0.615 5.355 4.740 0.000 0.000 0.264 231 N C 1.323 176.861 175.510 0.047 0.000 1.263 231 N CA 1.059 54.104 53.050 -0.009 0.000 0.959 231 N CB 0.680 39.175 38.487 0.015 0.000 1.204 231 N HN 1.176 nan 8.380 nan 0.000 0.550 232 G N -2.404 106.457 108.800 0.103 0.000 2.176 232 G HA2 -0.059 3.901 3.960 0.000 0.000 0.232 232 G HA3 -0.059 3.901 3.960 0.000 0.000 0.232 232 G C 0.501 175.539 174.900 0.231 0.000 0.986 232 G CA 0.735 45.966 45.100 0.218 0.000 0.643 232 G HN 1.050 nan 8.290 nan 0.000 0.522 233 G N 0.058 108.951 108.800 0.155 0.000 2.229 233 G HA2 0.512 4.472 3.960 0.000 0.000 0.089 233 G HA3 0.512 4.472 3.960 0.000 0.000 0.089 233 G C -0.493 174.463 174.900 0.093 0.000 0.832 233 G CA 0.700 45.870 45.100 0.116 0.000 1.234 233 G HN 1.793 nan 8.290 nan 0.000 0.466 234 N N 1.002 119.773 118.700 0.119 0.000 2.455 234 N HA 0.673 5.413 4.740 0.000 0.000 0.278 234 N C -1.329 174.234 175.510 0.089 0.000 1.291 234 N CA 0.038 53.140 53.050 0.087 0.000 0.780 234 N CB 2.886 41.419 38.487 0.078 0.000 1.520 234 N HN 0.662 nan 8.380 nan 0.000 0.486 235 D N -1.372 119.060 120.400 0.053 0.000 2.867 235 D HA 0.445 5.085 4.640 0.000 0.000 0.308 235 D C 0.169 176.522 176.300 0.088 0.000 1.202 235 D CA -0.640 53.394 54.000 0.056 0.000 1.035 235 D CB 0.379 41.155 40.800 -0.040 0.000 1.427 235 D HN 0.592 nan 8.370 nan 0.000 0.570 236 A N -0.626 122.285 122.820 0.151 0.000 2.216 236 A HA 0.416 4.736 4.320 0.000 0.000 0.214 236 A C 1.674 179.299 177.584 0.068 0.000 1.160 236 A CA 1.602 53.719 52.037 0.134 0.000 0.725 236 A CB -1.585 17.594 19.000 0.298 0.000 0.784 236 A HN 1.301 nan 8.150 nan 0.000 0.472 237 G N -0.004 108.826 108.800 0.049 0.000 2.651 237 G HA2 -0.442 3.518 3.960 0.000 0.000 0.315 237 G HA3 -0.442 3.518 3.960 0.000 0.000 0.315 237 G C 1.443 176.360 174.900 0.027 0.000 1.258 237 G CA 1.967 47.085 45.100 0.030 0.000 1.002 237 G HN 1.512 nan 8.290 nan 0.000 0.551 238 S N 0.179 115.892 115.700 0.021 0.000 2.507 238 S HA 0.007 4.477 4.470 0.000 0.000 0.235 238 S C 1.599 176.210 174.600 0.019 0.000 0.988 238 S CA 1.725 59.936 58.200 0.017 0.000 0.944 238 S CB -0.007 63.201 63.200 0.013 0.000 0.762 238 S HN 0.746 nan 8.310 nan 0.000 0.526 239 N N 1.696 120.412 118.700 0.027 0.000 2.230 239 N HA 0.239 4.979 4.740 0.000 0.000 0.202 239 N C 0.300 175.847 175.510 0.061 0.000 1.119 239 N CA 0.101 53.170 53.050 0.032 0.000 0.851 239 N CB 0.215 38.715 38.487 0.021 0.000 0.990 239 N HN 0.486 nan 8.380 nan 0.000 0.497 240 G N 0.466 109.307 108.800 0.068 0.000 2.355 240 G HA2 0.097 4.057 3.960 0.000 0.000 0.276 240 G HA3 0.097 4.057 3.960 0.000 0.000 0.276 240 G C -0.425 174.492 174.900 0.028 0.000 1.198 240 G CA -0.466 44.687 45.100 0.089 0.000 0.876 240 G HN 0.265 nan 8.290 nan 0.000 0.478 241 N N 1.550 120.251 118.700 0.002 0.000 2.500 241 N HA 0.132 4.872 4.740 0.000 0.000 0.236 241 N C -0.027 175.441 175.510 -0.069 0.000 1.022 241 N CA -0.415 52.578 53.050 -0.095 0.000 0.935 241 N CB 0.539 38.859 38.487 -0.278 0.000 1.147 241 N HN 0.418 nan 8.380 nan 0.000 0.512 242 R N 2.856 123.346 120.500 -0.016 0.000 2.471 242 R HA 0.388 4.728 4.340 0.000 0.000 0.292 242 R C -0.015 176.329 176.300 0.073 0.000 1.192 242 R CA -0.632 55.486 56.100 0.031 0.000 1.257 242 R CB 0.071 30.381 30.300 0.017 0.000 1.130 242 R HN 0.615 nan 8.270 nan 0.000 0.558 243 G N 2.503 111.391 108.800 0.146 0.000 2.442 243 G HA2 0.150 4.110 3.960 0.000 0.000 0.249 243 G HA3 0.150 4.110 3.960 0.000 0.000 0.249 243 G C -0.631 174.453 174.900 0.307 0.000 1.263 243 G CA -0.579 44.651 45.100 0.215 0.000 0.846 243 G HN 0.449 nan 8.290 nan 0.000 0.555 244 L N 2.847 124.202 121.223 0.220 0.000 2.295 244 L HA 0.432 4.772 4.340 0.000 0.000 0.288 244 L C 0.461 177.499 176.870 0.280 0.000 1.079 244 L CA -0.406 54.567 54.840 0.223 0.000 0.830 244 L CB 0.167 42.304 42.059 0.130 0.000 1.200 244 L HN 0.482 nan 8.230 nan 0.000 0.438 245 F N 3.449 123.433 119.950 0.056 0.000 2.293 245 F HA 0.387 4.914 4.527 0.000 0.000 0.297 245 F C 1.562 177.392 175.800 0.050 0.000 1.089 245 F CA 0.444 58.474 58.000 0.049 0.000 1.377 245 F CB -0.217 38.803 39.000 0.034 0.000 1.051 245 F HN 0.629 nan 8.300 nan 0.000 0.511 246 G N -2.247 106.694 108.800 0.234 0.000 2.313 246 G HA2 0.482 4.442 3.960 0.000 0.000 0.296 246 G HA3 0.482 4.442 3.960 0.000 0.000 0.296 246 G C -0.462 174.526 174.900 0.148 0.000 1.356 246 G CA 0.082 45.280 45.100 0.164 0.000 0.833 246 G HN 0.670 nan 8.290 nan 0.000 0.552 247 G N -1.450 107.449 108.800 0.165 0.000 2.710 247 G HA2 0.433 4.393 3.960 0.000 0.000 0.668 247 G HA3 0.433 4.393 3.960 0.000 0.000 0.668 247 G C -0.217 174.810 174.900 0.213 0.000 1.320 247 G CA 0.452 45.666 45.100 0.190 0.000 0.860 247 G HN 1.909 nan 8.290 nan 0.000 0.538 248 S N -0.901 114.957 115.700 0.263 0.000 2.632 248 S HA 0.827 5.297 4.470 0.000 0.000 0.289 248 S C 0.387 175.086 174.600 0.165 0.000 1.115 248 S CA -0.052 58.280 58.200 0.220 0.000 0.889 248 S CB 1.898 65.257 63.200 0.265 0.000 1.116 248 S HN 1.169 nan 8.310 nan 0.000 0.486 249 S N 1.505 117.272 115.700 0.111 0.000 2.596 249 S HA 0.348 4.818 4.470 0.000 0.000 0.260 249 S C 0.557 175.212 174.600 0.093 0.000 1.336 249 S CA -0.452 57.797 58.200 0.082 0.000 0.993 249 S CB 0.286 63.518 63.200 0.054 0.000 0.923 249 S HN 0.889 nan 8.310 nan 0.000 0.567 250 A N 2.010 124.869 122.820 0.066 0.000 2.981 250 A HA 0.382 4.702 4.320 0.000 0.000 0.280 250 A C -0.180 177.430 177.584 0.044 0.000 1.797 250 A CA -0.321 51.753 52.037 0.062 0.000 1.456 250 A CB -0.901 18.120 19.000 0.035 0.000 1.057 250 A HN 0.491 nan 8.150 nan 0.000 0.602 251 V N 2.750 122.692 119.914 0.046 0.000 2.394 251 V HA 0.165 4.285 4.120 0.000 0.000 0.282 251 V C 0.659 176.751 176.094 -0.003 0.000 1.031 251 V CA -0.796 61.508 62.300 0.007 0.000 0.881 251 V CB 1.561 33.373 31.823 -0.019 0.000 0.982 251 V HN 0.838 nan 8.190 nan 0.000 0.451 252 E N 3.399 123.593 120.200 -0.010 0.000 2.376 252 E HA 0.214 4.564 4.350 0.000 0.000 0.266 252 E C 1.071 177.647 176.600 -0.040 0.000 1.009 252 E CA 1.031 57.424 56.400 -0.012 0.000 0.902 252 E CB 0.942 30.635 29.700 -0.011 0.000 0.972 252 E HN 1.067 nan 8.360 nan 0.000 0.439 253 G N 4.209 112.987 108.800 -0.037 0.000 2.141 253 G HA2 -0.250 3.710 3.960 0.000 0.000 0.242 253 G HA3 -0.250 3.710 3.960 0.000 0.000 0.242 253 G C 0.821 175.633 174.900 -0.148 0.000 0.982 253 G CA 0.396 45.458 45.100 -0.063 0.000 0.662 253 G HN 0.547 nan 8.290 nan 0.000 0.527 254 L N -2.172 118.895 121.223 -0.260 0.000 2.240 254 L HA 0.232 4.572 4.340 0.000 0.000 0.211 254 L C 1.279 177.677 176.870 -0.788 0.000 1.106 254 L CA 0.802 55.262 54.840 -0.633 0.000 0.793 254 L CB -0.097 41.397 42.059 -0.941 0.000 0.927 254 L HN 0.389 nan 8.230 nan 0.000 0.446 255 W N -1.570 119.711 121.300 -0.032 0.000 2.864 255 W HA 0.377 5.037 4.660 0.000 0.000 0.343 255 W C 0.972 177.469 176.519 -0.038 0.000 1.109 255 W CA -0.807 56.516 57.345 -0.038 0.000 1.192 255 W CB 1.573 30.993 29.460 -0.066 0.000 1.426 255 W HN -0.397 nan 8.180 nan 0.000 0.529 256 K N -0.035 120.509 120.400 0.240 0.000 2.108 256 K HA 0.007 4.327 4.320 0.000 0.000 0.204 256 K C -0.274 176.381 176.600 0.090 0.000 1.036 256 K CA 1.420 57.789 56.287 0.136 0.000 0.965 256 K CB 0.200 32.781 32.500 0.135 0.000 0.804 256 K HN 0.627 nan 8.250 nan 0.000 0.454 257 D N -1.581 118.863 120.400 0.073 0.000 2.692 257 D HA 0.230 4.870 4.640 0.000 0.000 0.303 257 D C -1.619 174.596 176.300 -0.142 0.000 1.278 257 D CA -0.803 53.147 54.000 -0.085 0.000 0.852 257 D CB 1.025 41.817 40.800 -0.013 0.000 1.375 257 D HN -0.122 nan 8.370 nan 0.000 0.453 258 D N -1.090 119.119 120.400 -0.317 0.000 2.855 258 D HA 0.560 5.200 4.640 0.000 0.000 0.241 258 D C -1.544 174.721 176.300 -0.059 0.000 1.277 258 D CA -0.351 53.488 54.000 -0.267 0.000 0.918 258 D CB 1.860 42.275 40.800 -0.641 0.000 1.462 258 D HN 0.368 nan 8.370 nan 0.000 0.559 259 S N 1.251 117.069 115.700 0.196 0.000 2.547 259 S HA 0.713 5.183 4.470 0.000 0.000 0.281 259 S C -0.763 173.980 174.600 0.239 0.000 1.118 259 S CA -0.722 57.648 58.200 0.283 0.000 0.947 259 S CB 2.010 65.469 63.200 0.430 0.000 1.053 259 S HN 0.264 nan 8.310 nan 0.000 0.482 260 V N 2.031 121.977 119.914 0.053 0.000 2.638 260 V HA 0.531 4.651 4.120 0.000 0.000 0.306 260 V C -1.407 174.769 176.094 0.137 0.000 1.052 260 V CA -0.674 61.651 62.300 0.041 0.000 0.885 260 V CB 1.471 33.109 31.823 -0.309 0.000 0.999 260 V HN 0.957 nan 8.190 nan 0.000 0.424 261 W N 1.807 123.313 121.300 0.343 0.000 2.606 261 W HA 0.781 5.441 4.660 0.000 0.000 0.332 261 W C 0.425 177.169 176.519 0.376 0.000 1.052 261 W CA -0.420 57.165 57.345 0.400 0.000 1.223 261 W CB 2.363 32.016 29.460 0.321 0.000 1.383 261 W HN 0.789 nan 8.180 nan 0.000 0.524 262 G N 2.531 111.651 108.800 0.533 0.000 2.662 262 G HA2 0.632 4.592 3.960 0.000 0.000 0.302 262 G HA3 0.632 4.592 3.960 0.000 0.000 0.302 262 G C -2.537 172.499 174.900 0.227 0.000 1.389 262 G CA -0.770 44.521 45.100 0.317 0.000 0.998 262 G HN 0.374 nan 8.290 nan 0.000 0.502 263 L N 1.201 122.589 121.223 0.274 0.000 2.386 263 L HA 0.816 5.157 4.340 0.000 0.000 0.271 263 L C -0.241 176.742 176.870 0.189 0.000 0.993 263 L CA -0.732 54.238 54.840 0.216 0.000 0.819 263 L CB 1.913 44.103 42.059 0.219 0.000 1.294 263 L HN 0.809 nan 8.230 nan 0.000 0.414 264 E N 2.970 123.269 120.200 0.165 0.000 2.383 264 E HA 0.848 5.198 4.350 0.000 0.000 0.275 264 E C -1.236 175.491 176.600 0.212 0.000 0.918 264 E CA -1.174 55.330 56.400 0.172 0.000 0.764 264 E CB 2.182 32.001 29.700 0.198 0.000 1.252 264 E HN 0.748 nan 8.360 nan 0.000 0.449 265 G N -0.008 108.898 108.800 0.176 0.000 2.667 265 G HA2 0.716 4.676 3.960 0.000 0.000 0.298 265 G HA3 0.716 4.676 3.960 0.000 0.000 0.298 265 G C -1.609 173.391 174.900 0.166 0.000 1.377 265 G CA -0.458 44.767 45.100 0.207 0.000 0.964 265 G HN 0.692 nan 8.290 nan 0.000 0.493 266 A N 0.305 123.247 122.820 0.204 0.000 2.520 266 A HA 0.769 5.089 4.320 0.000 0.000 0.298 266 A C -2.305 175.467 177.584 0.314 0.000 1.051 266 A CA -0.563 51.599 52.037 0.209 0.000 0.690 266 A CB 1.897 20.985 19.000 0.146 0.000 1.281 266 A HN 1.220 nan 8.150 nan 0.000 0.402 267 W N 1.915 123.270 121.300 0.091 0.000 2.830 267 W HA 0.705 5.365 4.660 0.000 0.000 0.335 267 W C -0.895 175.667 176.519 0.071 0.000 1.043 267 W CA -0.770 56.624 57.345 0.082 0.000 1.239 267 W CB 1.591 31.121 29.460 0.117 0.000 1.378 267 W HN 1.198 nan 8.180 nan 0.000 0.456 268 A N 6.583 129.479 122.820 0.127 0.000 2.343 268 A HA 0.830 5.150 4.320 0.000 0.000 0.316 268 A C -2.200 175.309 177.584 -0.125 0.000 1.104 268 A CA -0.742 51.254 52.037 -0.068 0.000 0.768 268 A CB 1.465 20.543 19.000 0.130 0.000 1.213 268 A HN 0.761 nan 8.150 nan 0.000 0.456 269 L N 3.420 124.536 121.223 -0.179 0.000 2.457 269 L HA 0.580 4.920 4.340 0.000 0.000 0.266 269 L C 0.885 177.744 176.870 -0.019 0.000 0.979 269 L CA 0.665 55.453 54.840 -0.087 0.000 0.857 269 L CB 1.106 43.066 42.059 -0.166 0.000 1.213 269 L HN 1.453 nan 8.230 nan 0.000 0.418 270 G N 3.149 111.938 108.800 -0.018 0.000 2.622 270 G HA2 -0.430 3.530 3.960 0.000 0.000 0.307 270 G HA3 -0.430 3.530 3.960 0.000 0.000 0.307 270 G C 0.819 175.673 174.900 -0.077 0.000 1.226 270 G CA 0.599 45.680 45.100 -0.032 0.000 0.997 270 G HN 1.043 nan 8.290 nan 0.000 0.551 271 A N -0.600 122.139 122.820 -0.135 0.000 2.167 271 A HA 0.545 4.865 4.320 0.000 0.000 0.214 271 A C 0.958 178.369 177.584 -0.288 0.000 1.151 271 A CA 1.514 53.355 52.037 -0.327 0.000 0.735 271 A CB -0.150 18.472 19.000 -0.630 0.000 0.802 271 A HN 1.372 nan 8.150 nan 0.000 0.467 272 F N 1.415 121.262 119.950 -0.172 0.000 2.399 272 F HA 0.540 5.067 4.527 0.000 0.000 0.334 272 F C 0.206 175.933 175.800 -0.122 0.000 1.097 272 F CA -0.450 57.542 58.000 -0.014 0.000 1.076 272 F CB 1.406 40.445 39.000 0.066 0.000 1.162 272 F HN 0.041 nan 8.300 nan 0.000 0.495 273 S N 4.150 119.173 115.700 -1.128 0.000 2.546 273 S HA 0.913 5.383 4.470 0.000 0.000 0.274 273 S C -1.249 172.658 174.600 -1.155 0.000 1.121 273 S CA -0.690 56.905 58.200 -1.008 0.000 0.887 273 S CB 1.368 64.203 63.200 -0.608 0.000 1.094 273 S HN 1.136 nan 8.310 nan 0.000 0.474 274 A N 2.039 124.485 122.820 -0.623 0.000 2.371 274 A HA 0.853 5.173 4.320 0.000 0.000 0.311 274 A C -0.693 176.899 177.584 0.012 0.000 1.068 274 A CA -0.810 51.116 52.037 -0.184 0.000 0.744 274 A CB 1.506 20.579 19.000 0.121 0.000 1.239 274 A HN 1.063 nan 8.150 nan 0.000 0.435 275 Q N 0.734 120.569 119.800 0.057 0.000 2.418 275 Q HA 0.827 5.167 4.340 0.000 0.000 0.282 275 Q C -1.115 174.888 176.000 0.004 0.000 1.044 275 Q CA -0.924 54.933 55.803 0.090 0.000 0.813 275 Q CB 2.278 31.096 28.738 0.133 0.000 1.428 275 Q HN 1.643 nan 8.270 nan 0.000 0.402 276 A N 1.670 124.416 122.820 -0.124 0.000 2.547 276 A HA 0.662 4.982 4.320 0.000 0.000 0.297 276 A C -1.622 175.762 177.584 -0.333 0.000 1.056 276 A CA -0.651 51.161 52.037 -0.374 0.000 0.688 276 A CB 2.032 20.989 19.000 -0.072 0.000 1.282 276 A HN 0.757 nan 8.150 nan 0.000 0.400 277 E N 0.244 120.123 120.200 -0.535 0.000 2.272 277 E HA 0.490 4.840 4.350 0.000 0.000 0.269 277 E C -1.968 174.708 176.600 0.128 0.000 0.877 277 E CA -0.531 55.822 56.400 -0.078 0.000 0.755 277 E CB 2.698 32.450 29.700 0.087 0.000 1.192 277 E HN 0.616 nan 8.360 nan 0.000 0.422 278 Y N 3.239 123.606 120.300 0.111 0.000 2.409 278 Y HA 0.582 5.132 4.550 0.000 0.000 0.343 278 Y C -1.769 174.270 175.900 0.232 0.000 0.973 278 Y CA -1.073 57.133 58.100 0.176 0.000 1.064 278 Y CB 0.963 39.490 38.460 0.111 0.000 1.207 278 Y HN 0.500 nan 8.280 nan 0.000 0.452 279 L N 3.543 124.477 121.223 -0.482 0.000 2.376 279 L HA 0.777 5.117 4.340 0.000 0.000 0.258 279 L C -1.689 174.898 176.870 -0.471 0.000 1.013 279 L CA -1.312 53.385 54.840 -0.238 0.000 0.822 279 L CB 2.502 44.633 42.059 0.119 0.000 1.388 279 L HN 0.652 nan 8.230 nan 0.000 0.413 280 R N 1.198 121.657 120.500 -0.069 0.000 2.575 280 R HA 0.654 4.994 4.340 0.000 0.000 0.293 280 R C -1.290 175.097 176.300 0.145 0.000 0.983 280 R CA -0.818 55.307 56.100 0.043 0.000 0.887 280 R CB 2.593 33.015 30.300 0.204 0.000 1.184 280 R HN 0.838 nan 8.270 nan 0.000 0.445 281 R N 1.485 122.047 120.500 0.104 0.000 2.621 281 R HA 0.463 4.803 4.340 0.000 0.000 0.292 281 R C -1.419 174.959 176.300 0.130 0.000 0.969 281 R CA -0.339 55.831 56.100 0.116 0.000 0.887 281 R CB 2.170 32.501 30.300 0.051 0.000 1.180 281 R HN 0.509 nan 8.270 nan 0.000 0.450 282 T N 3.488 118.136 114.554 0.156 0.000 2.881 282 T HA 0.292 4.642 4.350 0.000 0.000 0.291 282 T C -0.957 173.787 174.700 0.073 0.000 0.990 282 T CA -0.558 61.618 62.100 0.127 0.000 0.976 282 T CB 1.607 70.578 68.868 0.172 0.000 0.970 282 T HN 0.299 nan 8.240 nan 0.000 0.438 283 V N 4.263 124.165 119.914 -0.020 0.000 2.333 283 V HA 0.349 4.469 4.120 0.000 0.000 0.274 283 V C 0.452 176.601 176.094 0.092 0.000 1.028 283 V CA -0.953 61.263 62.300 -0.141 0.000 0.851 283 V CB 0.672 32.116 31.823 -0.631 0.000 1.000 283 V HN 0.709 nan 8.190 nan 0.000 0.456 284 K N 3.605 124.107 120.400 0.170 0.000 2.379 284 K HA 0.552 4.872 4.320 0.000 0.000 0.284 284 K C 0.440 177.272 176.600 0.387 0.000 1.044 284 K CA -0.040 56.394 56.287 0.244 0.000 0.974 284 K CB 1.248 33.860 32.500 0.187 0.000 0.962 284 K HN 0.837 nan 8.250 nan 0.000 0.474 285 A N 3.187 126.220 122.820 0.354 0.000 2.322 285 A HA 0.141 4.461 4.320 0.000 0.000 0.269 285 A C -0.030 177.596 177.584 0.070 0.000 1.094 285 A CA -0.365 51.803 52.037 0.219 0.000 0.807 285 A CB 0.549 19.593 19.000 0.073 0.000 1.047 285 A HN 0.713 nan 8.150 nan 0.000 0.487 286 E N 0.401 120.567 120.200 -0.056 0.000 2.318 286 E HA 0.368 4.718 4.350 0.000 0.000 0.265 286 E C 0.234 176.794 176.600 -0.066 0.000 1.069 286 E CA -0.383 55.988 56.400 -0.049 0.000 0.893 286 E CB 0.474 30.125 29.700 -0.081 0.000 1.076 286 E HN 0.556 nan 8.360 nan 0.000 0.414 287 R N 2.629 123.108 120.500 -0.035 0.000 3.036 287 R HA -0.340 4.000 4.340 0.000 0.000 0.186 287 R C -0.655 175.618 176.300 -0.045 0.000 0.923 287 R CA 0.972 57.052 56.100 -0.034 0.000 0.922 287 R CB -0.932 29.346 30.300 -0.036 0.000 2.283 287 R HN 0.798 nan 8.270 nan 0.000 0.400 288 D N -0.538 119.846 120.400 -0.026 0.000 2.394 288 D HA -0.231 4.409 4.640 0.000 0.000 0.169 288 D C -0.026 176.255 176.300 -0.031 0.000 1.214 288 D CA 2.150 56.135 54.000 -0.023 0.000 1.131 288 D CB -0.518 40.266 40.800 -0.027 0.000 1.157 288 D HN 0.685 nan 8.370 nan 0.000 0.455 289 R N 0.848 121.311 120.500 -0.061 0.000 2.707 289 R HA 0.349 4.689 4.340 0.000 0.000 0.270 289 R C 0.625 176.914 176.300 -0.017 0.000 1.083 289 R CA -0.195 55.858 56.100 -0.078 0.000 1.182 289 R CB 0.599 30.781 30.300 -0.197 0.000 1.084 289 R HN 0.073 nan 8.270 nan 0.000 0.528 290 E N 1.384 121.592 120.200 0.014 0.000 2.277 290 E HA 0.099 4.449 4.350 0.000 0.000 0.274 290 E C -0.646 176.060 176.600 0.175 0.000 1.022 290 E CA -0.485 55.964 56.400 0.082 0.000 0.853 290 E CB 0.944 30.693 29.700 0.081 0.000 1.086 290 E HN 0.367 nan 8.360 nan 0.000 0.397 291 D N 1.198 121.719 120.400 0.202 0.000 2.382 291 D HA 0.082 4.722 4.640 0.000 0.000 0.240 291 D C -0.129 176.343 176.300 0.286 0.000 1.146 291 D CA -0.214 53.960 54.000 0.291 0.000 0.897 291 D CB 0.718 41.638 40.800 0.199 0.000 1.197 291 D HN 0.097 nan 8.370 nan 0.000 0.432 292 L N 1.575 122.958 121.223 0.266 0.000 2.264 292 L HA 0.289 4.629 4.340 0.000 0.000 0.289 292 L C -0.424 176.479 176.870 0.056 0.000 1.044 292 L CA -0.042 54.866 54.840 0.113 0.000 0.807 292 L CB 0.405 42.415 42.059 -0.082 0.000 1.192 292 L HN 0.162 nan 8.230 nan 0.000 0.425 293 K N 4.390 124.841 120.400 0.084 0.000 2.316 293 K HA 0.910 5.230 4.320 0.000 0.000 0.251 293 K C -1.310 175.337 176.600 0.079 0.000 0.934 293 K CA -0.800 55.538 56.287 0.085 0.000 0.802 293 K CB 2.123 34.685 32.500 0.104 0.000 1.171 293 K HN 0.693 nan 8.250 nan 0.000 0.426 294 A N 1.254 124.115 122.820 0.068 0.000 2.488 294 A HA 0.688 5.008 4.320 0.000 0.000 0.298 294 A C -1.133 176.473 177.584 0.036 0.000 1.044 294 A CA -0.690 51.380 52.037 0.055 0.000 0.693 294 A CB 1.464 20.482 19.000 0.029 0.000 1.272 294 A HN 0.674 nan 8.150 nan 0.000 0.402 295 S N 0.400 116.121 115.700 0.035 0.000 2.579 295 S HA 0.992 5.462 4.470 0.000 0.000 0.272 295 S C -0.200 174.397 174.600 -0.005 0.000 1.141 295 S CA -0.235 57.951 58.200 -0.023 0.000 0.843 295 S CB 1.627 64.856 63.200 0.049 0.000 1.122 295 S HN 2.478 nan 8.310 nan 0.000 0.468 296 G N -0.041 108.709 108.800 -0.082 0.000 2.441 296 G HA2 0.620 4.580 3.960 0.000 0.000 0.294 296 G HA3 0.620 4.580 3.960 0.000 0.000 0.294 296 G C -1.941 173.063 174.900 0.172 0.000 1.393 296 G CA -0.248 44.890 45.100 0.064 0.000 0.796 296 G HN 1.848 nan 8.290 nan 0.000 0.494 297 Y N -1.575 118.770 120.300 0.076 0.000 2.656 297 Y HA 0.825 5.375 4.550 0.000 0.000 0.334 297 Y C -1.365 174.598 175.900 0.106 0.000 1.179 297 Y CA -2.130 56.043 58.100 0.121 0.000 1.050 297 Y CB 1.126 39.743 38.460 0.261 0.000 1.308 297 Y HN 1.397 nan 8.280 nan 0.000 0.456 298 Y N 0.489 120.804 120.300 0.025 0.000 2.581 298 Y HA 1.015 5.565 4.550 0.000 0.000 0.345 298 Y C -1.532 174.479 175.900 0.185 0.000 1.036 298 Y CA -1.547 56.494 58.100 -0.098 0.000 1.042 298 Y CB 1.881 40.241 38.460 -0.166 0.000 1.289 298 Y HN 1.061 nan 8.280 nan 0.000 0.471 299 A N 3.030 126.021 122.820 0.284 0.000 2.374 299 A HA 0.614 4.934 4.320 0.000 0.000 0.305 299 A C -1.580 176.214 177.584 0.350 0.000 1.053 299 A CA -0.751 51.442 52.037 0.259 0.000 0.726 299 A CB 1.850 21.058 19.000 0.346 0.000 1.229 299 A HN 0.865 nan 8.150 nan 0.000 0.431 300 Q N 1.738 121.731 119.800 0.321 0.000 2.337 300 Q HA 0.674 5.014 4.340 0.000 0.000 0.270 300 Q C -1.726 174.399 176.000 0.208 0.000 1.043 300 Q CA -0.811 55.156 55.803 0.274 0.000 0.794 300 Q CB 1.614 30.497 28.738 0.242 0.000 1.281 300 Q HN 0.896 nan 8.270 nan 0.000 0.446 301 L N 0.836 122.222 121.223 0.272 0.000 2.346 301 L HA 1.067 5.407 4.340 0.000 0.000 0.274 301 L C -1.219 175.780 176.870 0.214 0.000 1.007 301 L CA -0.585 54.377 54.840 0.203 0.000 0.818 301 L CB 2.075 44.368 42.059 0.389 0.000 1.284 301 L HN 0.576 nan 8.230 nan 0.000 0.424 302 A N 2.204 125.052 122.820 0.048 0.000 2.515 302 A HA 0.805 5.125 4.320 0.000 0.000 0.298 302 A C -1.985 175.715 177.584 0.194 0.000 1.059 302 A CA -0.475 51.647 52.037 0.141 0.000 0.698 302 A CB 1.402 20.402 19.000 -0.001 0.000 1.289 302 A HN 0.824 nan 8.150 nan 0.000 0.404 303 Y N 0.822 121.207 120.300 0.143 0.000 2.362 303 Y HA 0.452 5.003 4.550 0.000 0.000 0.326 303 Y C -0.271 175.719 175.900 0.151 0.000 1.083 303 Y CA -0.180 58.014 58.100 0.156 0.000 1.073 303 Y CB 2.030 40.616 38.460 0.209 0.000 1.211 303 Y HN 0.638 nan 8.280 nan 0.000 0.433 304 T N 7.199 121.581 114.554 -0.287 0.000 2.738 304 T HA 0.195 4.545 4.350 0.000 0.000 0.294 304 T C 1.563 176.172 174.700 -0.152 0.000 0.914 304 T CA -0.264 61.757 62.100 -0.132 0.000 1.052 304 T CB 0.430 69.194 68.868 -0.174 0.000 0.897 304 T HN 0.719 nan 8.240 nan 0.000 0.522 305 L N 2.700 124.028 121.223 0.175 0.000 2.131 305 L HA -0.096 4.244 4.340 0.000 0.000 0.210 305 L C 2.793 179.762 176.870 0.165 0.000 1.092 305 L CA 1.180 56.176 54.840 0.259 0.000 0.759 305 L CB -0.744 41.481 42.059 0.277 0.000 0.903 305 L HN 0.732 nan 8.230 nan 0.000 0.435 306 T N -4.219 110.426 114.554 0.151 0.000 3.100 306 T HA 0.267 4.617 4.350 0.000 0.000 0.253 306 T C 1.437 176.156 174.700 0.032 0.000 1.118 306 T CA 0.523 62.697 62.100 0.123 0.000 1.058 306 T CB 0.670 69.654 68.868 0.193 0.000 0.953 306 T HN 0.481 nan 8.240 nan 0.000 0.515 307 G N 1.022 109.794 108.800 -0.046 0.000 2.238 307 G HA2 -0.192 3.768 3.960 0.000 0.000 0.217 307 G HA3 -0.192 3.768 3.960 0.000 0.000 0.217 307 G C -0.245 174.582 174.900 -0.121 0.000 0.996 307 G CA -0.358 44.688 45.100 -0.091 0.000 0.632 307 G HN 0.580 nan 8.290 nan 0.000 0.503 308 E N 2.779 122.907 120.200 -0.121 0.000 2.344 308 E HA 0.457 4.808 4.350 0.000 0.000 0.270 308 E C -1.926 174.571 176.600 -0.172 0.000 1.021 308 E CA -1.202 55.113 56.400 -0.142 0.000 0.887 308 E CB 1.108 30.706 29.700 -0.169 0.000 0.997 308 E HN 0.324 nan 8.360 nan 0.000 0.429 309 P HA 0.097 nan 4.420 nan 0.000 0.274 309 P C -0.678 176.543 177.300 -0.133 0.000 1.231 309 P CA -0.372 62.656 63.100 -0.120 0.000 0.790 309 P CB 0.732 32.392 31.700 -0.066 0.000 0.951 310 R N 1.307 121.746 120.500 -0.101 0.000 2.489 310 R HA 0.191 4.531 4.340 0.000 0.000 0.287 310 R C 0.193 176.547 176.300 0.089 0.000 1.053 310 R CA -0.617 55.453 56.100 -0.051 0.000 1.036 310 R CB -0.247 30.016 30.300 -0.062 0.000 0.966 310 R HN 0.391 nan 8.270 nan 0.000 0.432 311 L N 3.576 124.803 121.223 0.006 0.000 2.485 311 L HA 0.037 4.377 4.340 0.000 0.000 0.275 311 L C -0.383 176.587 176.870 0.166 0.000 1.207 311 L CA 0.846 55.702 54.840 0.027 0.000 0.855 311 L CB -0.049 41.947 42.059 -0.105 0.000 1.114 311 L HN 0.455 nan 8.230 nan 0.000 0.485 312 Y N 2.654 122.921 120.300 -0.055 0.000 2.442 312 Y HA 0.513 5.063 4.550 0.000 0.000 0.344 312 Y C -0.743 175.067 175.900 -0.149 0.000 0.976 312 Y CA -1.013 56.967 58.100 -0.200 0.000 1.040 312 Y CB 1.395 39.645 38.460 -0.350 0.000 1.228 312 Y HN 0.500 nan 8.280 nan 0.000 0.451 313 K N 6.415 126.336 120.400 -0.799 0.000 2.450 313 K HA 0.212 4.532 4.320 0.000 0.000 0.257 313 K C 0.008 176.167 176.600 -0.736 0.000 0.953 313 K CA -0.658 55.306 56.287 -0.538 0.000 0.844 313 K CB 2.139 34.409 32.500 -0.383 0.000 1.103 313 K HN 0.669 nan 8.250 nan 0.000 0.429 314 L N 1.730 122.748 121.223 -0.343 0.000 2.083 314 L HA -0.080 4.260 4.340 0.000 0.000 0.209 314 L C 0.427 177.048 176.870 -0.415 0.000 1.083 314 L CA 1.901 56.590 54.840 -0.252 0.000 0.752 314 L CB -0.149 41.778 42.059 -0.219 0.000 0.899 314 L HN 0.635 nan 8.230 nan 0.000 0.433 315 D N -0.221 119.948 120.400 -0.385 0.000 2.348 315 D HA 0.381 5.021 4.640 0.000 0.000 0.259 315 D C 1.125 176.981 176.300 -0.740 0.000 1.296 315 D CA 0.962 54.688 54.000 -0.457 0.000 0.931 315 D CB -0.083 40.596 40.800 -0.202 0.000 1.067 315 D HN 0.480 nan 8.370 nan 0.000 0.503 316 G N 3.077 110.918 108.800 -1.597 0.000 2.259 316 G HA2 -0.102 3.858 3.960 0.000 0.000 0.217 316 G HA3 -0.102 3.858 3.960 0.000 0.000 0.217 316 G C 0.629 174.980 174.900 -0.916 0.000 1.001 316 G CA 0.146 44.540 45.100 -1.175 0.000 0.627 316 G HN 1.556 nan 8.290 nan 0.000 0.501 317 A N -0.195 122.114 122.820 -0.851 0.000 2.251 317 A HA 0.216 4.536 4.320 0.000 0.000 0.283 317 A C 0.502 177.921 177.584 -0.275 0.000 1.415 317 A CA 2.658 54.467 52.037 -0.380 0.000 0.742 317 A CB -1.806 17.198 19.000 0.008 0.000 1.151 317 A HN 2.227 nan 8.150 nan 0.000 0.354 318 K N -0.242 119.759 120.400 -0.665 0.000 2.532 318 K HA 0.805 5.125 4.320 0.000 0.000 0.265 318 K C -0.714 175.562 176.600 -0.540 0.000 0.948 318 K CA -1.111 54.945 56.287 -0.386 0.000 0.842 318 K CB 1.319 33.688 32.500 -0.217 0.000 1.392 318 K HN 0.105 nan 8.250 nan 0.000 0.436 319 F N 0.942 120.846 119.950 -0.077 0.000 2.368 319 F HA 0.324 4.851 4.527 0.000 0.000 0.308 319 F C 0.848 176.631 175.800 -0.028 0.000 1.198 319 F CA 0.697 58.697 58.000 0.000 0.000 1.130 319 F CB 1.066 40.106 39.000 0.067 0.000 1.300 319 F HN 0.911 nan 8.300 nan 0.000 0.537 320 D N -1.765 118.758 120.400 0.206 0.000 3.798 320 D HA 0.173 4.813 4.640 0.000 0.000 0.296 320 D C -0.853 175.369 176.300 -0.130 0.000 1.489 320 D CA -0.259 53.784 54.000 0.071 0.000 0.988 320 D CB 0.885 41.656 40.800 -0.049 0.000 1.360 320 D HN 0.452 nan 8.370 nan 0.000 0.641 321 T N -0.287 113.898 114.554 -0.616 0.000 2.754 321 T HA 0.529 4.879 4.350 0.000 0.000 0.286 321 T C -0.191 174.115 174.700 -0.657 0.000 0.997 321 T CA -0.259 61.173 62.100 -1.114 0.000 0.982 321 T CB 0.149 67.926 68.868 -1.820 0.000 1.027 321 T HN 0.180 nan 8.240 nan 0.000 0.529 322 I N 2.711 122.799 120.570 -0.803 0.000 2.389 322 I HA 0.351 4.521 4.170 0.000 0.000 0.288 322 I C -0.056 175.658 176.117 -0.672 0.000 0.999 322 I CA -0.755 60.104 61.300 -0.735 0.000 1.129 322 I CB 1.736 39.114 38.000 -1.037 0.000 1.288 322 I HN 0.494 nan 8.210 nan 0.000 0.444 323 K N 7.421 127.557 120.400 -0.441 0.000 2.264 323 K HA 0.388 4.708 4.320 0.000 0.000 0.277 323 K C -2.489 173.966 176.600 -0.242 0.000 1.067 323 K CA -1.665 54.432 56.287 -0.316 0.000 0.900 323 K CB 0.677 33.036 32.500 -0.236 0.000 1.124 323 K HN 0.199 nan 8.250 nan 0.000 0.469 324 P HA -0.026 nan 4.420 nan 0.000 0.268 324 P C 0.254 177.506 177.300 -0.080 0.000 1.204 324 P CA -0.006 63.018 63.100 -0.128 0.000 0.768 324 P CB 0.787 32.429 31.700 -0.097 0.000 0.842 325 E N 1.006 121.178 120.200 -0.047 0.000 2.140 325 E HA -0.027 4.323 4.350 0.000 0.000 0.191 325 E C 0.459 177.061 176.600 0.003 0.000 0.973 325 E CA 0.799 57.183 56.400 -0.026 0.000 0.829 325 E CB -0.084 29.603 29.700 -0.020 0.000 0.781 325 E HN 0.413 nan 8.360 nan 0.000 0.466 326 N N 1.967 120.687 118.700 0.033 0.000 2.420 326 N HA -0.017 4.723 4.740 0.000 0.000 0.249 326 N C 0.915 176.463 175.510 0.062 0.000 1.033 326 N CA 0.072 53.158 53.050 0.059 0.000 0.944 326 N CB 1.006 39.553 38.487 0.099 0.000 1.113 326 N HN 0.050 nan 8.380 nan 0.000 0.502 327 K N 2.439 122.866 120.400 0.045 0.000 2.288 327 K HA -0.067 4.253 4.320 0.000 0.000 0.201 327 K C 1.146 177.786 176.600 0.067 0.000 1.048 327 K CA 0.979 57.288 56.287 0.036 0.000 0.956 327 K CB 0.357 32.868 32.500 0.020 0.000 0.746 327 K HN 0.532 nan 8.250 nan 0.000 0.461 328 E N 0.697 120.954 120.200 0.095 0.000 2.065 328 E HA -0.038 4.312 4.350 0.000 0.000 0.191 328 E C 1.947 178.674 176.600 0.212 0.000 0.960 328 E CA 0.236 56.713 56.400 0.129 0.000 0.824 328 E CB 0.233 29.996 29.700 0.105 0.000 0.793 328 E HN 0.180 nan 8.360 nan 0.000 0.459 329 I N 1.076 121.782 120.570 0.226 0.000 2.252 329 I HA -0.030 4.140 4.170 0.000 0.000 0.245 329 I C 1.689 178.114 176.117 0.513 0.000 1.102 329 I CA 1.658 63.168 61.300 0.349 0.000 1.385 329 I CB -1.748 36.428 38.000 0.294 0.000 1.064 329 I HN 0.390 nan 8.210 nan 0.000 0.414 330 G N 0.098 109.084 108.800 0.310 0.000 2.681 330 G HA2 -0.008 3.952 3.960 0.000 0.000 0.220 330 G HA3 -0.008 3.952 3.960 0.000 0.000 0.220 330 G C -0.313 174.709 174.900 0.203 0.000 1.353 330 G CA -0.214 44.994 45.100 0.181 0.000 0.872 330 G HN 0.773 nan 8.290 nan 0.000 0.557 331 A N -0.998 121.868 122.820 0.077 0.000 2.337 331 A HA 0.759 5.079 4.320 0.000 0.000 0.329 331 A C -0.945 176.768 177.584 0.216 0.000 1.146 331 A CA -0.236 51.890 52.037 0.147 0.000 0.800 331 A CB 0.947 19.927 19.000 -0.033 0.000 1.220 331 A HN 1.173 nan 8.150 nan 0.000 0.472 332 W N 0.701 122.184 121.300 0.305 0.000 2.532 332 W HA 0.593 5.253 4.660 0.000 0.000 0.321 332 W C 0.152 176.827 176.519 0.261 0.000 1.037 332 W CA -0.074 57.467 57.345 0.326 0.000 1.220 332 W CB 1.596 31.201 29.460 0.240 0.000 1.361 332 W HN 0.754 nan 8.180 nan 0.000 0.468 333 E N 3.954 124.466 120.200 0.521 0.000 2.256 333 E HA 0.538 4.888 4.350 0.000 0.000 0.268 333 E C -1.488 175.369 176.600 0.428 0.000 0.877 333 E CA -0.547 56.102 56.400 0.414 0.000 0.757 333 E CB 1.398 31.353 29.700 0.424 0.000 1.183 333 E HN 0.468 nan 8.360 nan 0.000 0.418 334 L N 4.909 126.364 121.223 0.388 0.000 2.331 334 L HA 0.657 4.997 4.340 0.000 0.000 0.275 334 L C -0.524 176.584 176.870 0.397 0.000 1.022 334 L CA -1.030 54.010 54.840 0.334 0.000 0.812 334 L CB 0.966 43.181 42.059 0.259 0.000 1.257 334 L HN 0.544 nan 8.230 nan 0.000 0.435 335 F N 1.259 121.335 119.950 0.210 0.000 2.645 335 F HA 0.655 5.183 4.527 0.000 0.000 0.310 335 F C -1.636 174.316 175.800 0.253 0.000 1.102 335 F CA -1.151 56.966 58.000 0.195 0.000 0.952 335 F CB 1.444 40.514 39.000 0.118 0.000 1.326 335 F HN 0.339 nan 8.300 nan 0.000 0.456 336 Y N 2.241 122.689 120.300 0.247 0.000 2.457 336 Y HA 0.702 5.252 4.550 0.000 0.000 0.343 336 Y C -1.413 174.690 175.900 0.338 0.000 0.994 336 Y CA -1.092 57.114 58.100 0.177 0.000 1.031 336 Y CB 1.750 40.294 38.460 0.140 0.000 1.246 336 Y HN 1.016 nan 8.280 nan 0.000 0.449 337 R N 5.095 125.262 120.500 -0.554 0.000 2.628 337 R HA 0.391 4.731 4.340 0.000 0.000 0.288 337 R C -2.320 173.600 176.300 -0.633 0.000 0.980 337 R CA -0.833 55.041 56.100 -0.378 0.000 0.891 337 R CB 1.474 31.743 30.300 -0.052 0.000 1.188 337 R HN 0.790 nan 8.270 nan 0.000 0.450 338 Y N 2.588 122.649 120.300 -0.398 0.000 2.341 338 Y HA 0.395 4.945 4.550 0.000 0.000 0.337 338 Y C -1.319 174.466 175.900 -0.192 0.000 1.014 338 Y CA -0.459 57.495 58.100 -0.244 0.000 1.111 338 Y CB 1.559 40.034 38.460 0.025 0.000 1.194 338 Y HN 0.643 nan 8.280 nan 0.000 0.462 339 D N 2.616 122.510 120.400 -0.844 0.000 2.481 339 D HA 0.529 5.170 4.640 0.000 0.000 0.244 339 D C -1.401 174.309 176.300 -0.984 0.000 1.057 339 D CA -0.511 53.060 54.000 -0.714 0.000 0.848 339 D CB 2.048 42.594 40.800 -0.423 0.000 1.388 339 D HN 0.348 nan 8.370 nan 0.000 0.475 340 S N 1.274 116.517 115.700 -0.763 0.000 2.668 340 S HA 0.659 5.129 4.470 0.000 0.000 0.277 340 S C -1.320 173.142 174.600 -0.230 0.000 1.170 340 S CA -0.723 57.165 58.200 -0.520 0.000 0.994 340 S CB 0.088 62.986 63.200 -0.504 0.000 1.051 340 S HN 0.465 nan 8.310 nan 0.000 0.484 341 I N 1.338 121.843 120.570 -0.108 0.000 2.785 341 I HA 0.760 4.930 4.170 0.000 0.000 0.302 341 I C -1.056 175.115 176.117 0.089 0.000 1.069 341 I CA -0.987 60.303 61.300 -0.017 0.000 1.045 341 I CB 2.230 40.178 38.000 -0.086 0.000 1.236 341 I HN 0.571 nan 8.210 nan 0.000 0.429 342 K N 3.764 124.231 120.400 0.112 0.000 2.482 342 K HA 0.724 5.044 4.320 0.000 0.000 0.251 342 K C -2.147 174.543 176.600 0.150 0.000 0.936 342 K CA -0.612 55.763 56.287 0.146 0.000 0.791 342 K CB 2.671 35.250 32.500 0.132 0.000 1.213 342 K HN 0.636 nan 8.250 nan 0.000 0.428 343 V N 3.731 123.758 119.914 0.189 0.000 2.483 343 V HA 0.312 4.432 4.120 0.000 0.000 0.297 343 V C -1.032 175.139 176.094 0.128 0.000 1.027 343 V CA -0.793 61.611 62.300 0.173 0.000 0.855 343 V CB 1.622 33.605 31.823 0.267 0.000 0.995 343 V HN 0.809 nan 8.190 nan 0.000 0.424 344 E N 3.417 123.683 120.200 0.110 0.000 2.092 344 E HA 0.470 4.821 4.350 0.000 0.000 0.271 344 E C -1.162 175.502 176.600 0.108 0.000 0.919 344 E CA -0.487 55.971 56.400 0.098 0.000 0.760 344 E CB 1.836 31.592 29.700 0.095 0.000 1.106 344 E HN 0.541 nan 8.360 nan 0.000 0.408 345 D N 3.036 123.498 120.400 0.103 0.000 2.363 345 D HA 0.118 4.758 4.640 0.000 0.000 0.258 345 D C -0.483 175.876 176.300 0.097 0.000 1.259 345 D CA -0.439 53.634 54.000 0.122 0.000 0.921 345 D CB 0.760 41.641 40.800 0.135 0.000 1.201 345 D HN 0.192 nan 8.370 nan 0.000 0.524 346 D N 1.355 121.811 120.400 0.093 0.000 2.363 346 D HA -0.026 4.614 4.640 0.000 0.000 0.226 346 D C 1.313 177.650 176.300 0.061 0.000 1.020 346 D CA 0.172 54.214 54.000 0.069 0.000 0.892 346 D CB 0.311 41.150 40.800 0.065 0.000 0.900 346 D HN 0.394 nan 8.370 nan 0.000 0.531 347 N N 0.296 119.040 118.700 0.073 0.000 2.381 347 N HA -0.059 4.681 4.740 0.000 0.000 0.182 347 N C 0.570 176.107 175.510 0.044 0.000 1.025 347 N CA 0.340 53.421 53.050 0.052 0.000 0.888 347 N CB 0.552 39.075 38.487 0.059 0.000 0.965 347 N HN 0.311 nan 8.380 nan 0.000 0.438 348 I N 1.996 122.598 120.570 0.052 0.000 2.347 348 I HA -0.021 4.149 4.170 0.000 0.000 0.294 348 I C 1.301 177.436 176.117 0.030 0.000 1.090 348 I CA -0.238 61.086 61.300 0.040 0.000 1.314 348 I CB 0.864 38.889 38.000 0.043 0.000 1.423 348 I HN -0.142 nan 8.210 nan 0.000 0.503 349 V N 4.119 124.047 119.914 0.023 0.000 3.604 349 V HA 0.298 4.418 4.120 0.000 0.000 0.277 349 V C 0.305 176.408 176.094 0.015 0.000 1.399 349 V CA -0.058 62.253 62.300 0.019 0.000 1.034 349 V CB 0.408 32.241 31.823 0.017 0.000 0.824 349 V HN 0.360 nan 8.190 nan 0.000 0.439 350 V N 1.522 121.444 119.914 0.014 0.000 2.656 350 V HA 0.535 4.655 4.120 0.000 0.000 0.307 350 V C -0.782 175.319 176.094 0.011 0.000 1.051 350 V CA -0.562 61.745 62.300 0.011 0.000 0.893 350 V CB 1.766 33.595 31.823 0.010 0.000 0.999 350 V HN 0.227 nan 8.190 nan 0.000 0.426 351 D N 2.276 122.681 120.400 0.008 0.000 2.382 351 D HA 0.446 5.086 4.640 0.000 0.000 0.240 351 D C 0.352 176.656 176.300 0.007 0.000 1.146 351 D CA 0.394 54.397 54.000 0.006 0.000 0.897 351 D CB 1.373 42.176 40.800 0.005 0.000 1.197 351 D HN 0.790 nan 8.370 nan 0.000 0.432 352 S N -0.618 115.086 115.700 0.006 0.000 2.811 352 S HA 0.658 5.128 4.470 0.000 0.000 0.311 352 S C 0.827 175.431 174.600 0.007 0.000 1.152 352 S CA -0.264 57.941 58.200 0.008 0.000 0.864 352 S CB 1.386 64.592 63.200 0.010 0.000 1.226 352 S HN 0.288 nan 8.310 nan 0.000 0.541 353 A N 0.501 123.326 122.820 0.008 0.000 2.070 353 A HA 0.090 4.410 4.320 0.000 0.000 0.220 353 A C 1.945 179.535 177.584 0.011 0.000 1.159 353 A CA 2.000 54.042 52.037 0.009 0.000 0.656 353 A CB -1.331 17.674 19.000 0.009 0.000 0.800 353 A HN 1.317 nan 8.150 nan 0.000 0.453 354 T N -4.885 109.676 114.554 0.011 0.000 3.003 354 T HA 0.412 4.762 4.350 0.000 0.000 0.261 354 T C 0.414 175.118 174.700 0.007 0.000 1.003 354 T CA -0.022 62.087 62.100 0.015 0.000 0.917 354 T CB 0.126 69.004 68.868 0.016 0.000 1.084 354 T HN 0.233 nan 8.240 nan 0.000 0.522 355 R N 1.404 121.903 120.500 -0.002 0.000 2.514 355 R HA 0.508 4.848 4.340 0.000 0.000 0.296 355 R C -1.503 174.788 176.300 -0.016 0.000 1.012 355 R CA -0.451 55.637 56.100 -0.019 0.000 0.897 355 R CB 1.401 31.694 30.300 -0.012 0.000 1.184 355 R HN 0.327 nan 8.270 nan 0.000 0.440 356 E N 3.445 123.629 120.200 -0.027 0.000 2.204 356 E HA 0.319 4.669 4.350 0.000 0.000 0.276 356 E C -0.667 175.923 176.600 -0.015 0.000 0.974 356 E CA -0.951 55.439 56.400 -0.017 0.000 0.815 356 E CB 1.480 31.169 29.700 -0.020 0.000 1.119 356 E HN 0.409 nan 8.360 nan 0.000 0.393 357 V N 3.477 123.389 119.914 -0.003 0.000 2.617 357 V HA 0.373 4.493 4.120 0.000 0.000 0.304 357 V C 0.847 176.943 176.094 0.004 0.000 1.040 357 V CA 1.436 63.739 62.300 0.005 0.000 1.149 357 V CB 0.092 31.922 31.823 0.011 0.000 0.914 357 V HN 0.947 nan 8.190 nan 0.000 0.487 358 G N 4.545 113.351 108.800 0.009 0.000 2.343 358 G HA2 -0.018 3.942 3.960 0.000 0.000 0.465 358 G HA3 -0.018 3.942 3.960 0.000 0.000 0.465 358 G C -1.315 173.591 174.900 0.010 0.000 1.282 358 G CA -0.890 44.217 45.100 0.013 0.000 0.996 358 G HN 0.588 nan 8.290 nan 0.000 0.521 359 D N 1.184 121.595 120.400 0.018 0.000 2.401 359 D HA 0.514 5.154 4.640 0.000 0.000 0.254 359 D C 0.907 177.195 176.300 -0.019 0.000 1.192 359 D CA 1.085 55.100 54.000 0.025 0.000 0.885 359 D CB 1.277 42.107 40.800 0.049 0.000 1.147 359 D HN 0.916 nan 8.370 nan 0.000 0.478 360 A N 3.712 126.503 122.820 -0.049 0.000 2.409 360 A HA 0.310 4.630 4.320 0.000 0.000 0.262 360 A C 0.387 177.926 177.584 -0.074 0.000 1.113 360 A CA -0.155 51.753 52.037 -0.216 0.000 0.790 360 A CB 0.401 19.124 19.000 -0.461 0.000 1.046 360 A HN 0.431 nan 8.150 nan 0.000 0.496 361 K N 1.062 121.396 120.400 -0.110 0.000 2.375 361 K HA 0.668 4.988 4.320 0.000 0.000 0.249 361 K C -0.290 176.381 176.600 0.119 0.000 0.942 361 K CA -0.546 55.785 56.287 0.073 0.000 0.806 361 K CB 2.693 35.215 32.500 0.036 0.000 1.227 361 K HN 0.845 nan 8.250 nan 0.000 0.430 362 G N 1.765 110.687 108.800 0.204 0.000 2.701 362 G HA2 0.519 4.479 3.960 0.000 0.000 0.300 362 G HA3 0.519 4.479 3.960 0.000 0.000 0.300 362 G C -1.593 173.265 174.900 -0.069 0.000 1.410 362 G CA -0.687 44.474 45.100 0.102 0.000 1.014 362 G HN 0.550 nan 8.290 nan 0.000 0.509 363 K N -0.332 119.986 120.400 -0.137 0.000 2.502 363 K HA 0.841 5.161 4.320 0.000 0.000 0.257 363 K C -1.040 175.402 176.600 -0.262 0.000 0.938 363 K CA -0.856 55.265 56.287 -0.277 0.000 0.819 363 K CB 2.345 34.705 32.500 -0.235 0.000 1.333 363 K HN 0.644 nan 8.250 nan 0.000 0.434 364 T N -1.221 113.093 114.554 -0.400 0.000 2.900 364 T HA 0.402 4.752 4.350 0.000 0.000 0.295 364 T C -0.855 173.650 174.700 -0.324 0.000 1.044 364 T CA -0.872 61.088 62.100 -0.233 0.000 0.995 364 T CB 1.188 69.983 68.868 -0.122 0.000 1.072 364 T HN 0.602 nan 8.240 nan 0.000 0.473 365 H N 1.391 120.514 119.070 0.088 0.000 2.481 365 H HA 0.521 5.077 4.556 0.000 0.000 0.333 365 H C -0.478 174.900 175.328 0.083 0.000 1.066 365 H CA -0.521 55.620 56.048 0.156 0.000 1.209 365 H CB 1.883 31.842 29.762 0.328 0.000 1.445 365 H HN 0.678 nan 8.280 nan 0.000 0.488 366 T N 4.331 118.915 114.554 0.049 0.000 2.809 366 T HA 0.286 4.636 4.350 0.000 0.000 0.284 366 T C -0.405 174.302 174.700 0.011 0.000 0.992 366 T CA -0.624 61.513 62.100 0.063 0.000 0.957 366 T CB 1.185 70.101 68.868 0.080 0.000 0.942 366 T HN 0.185 nan 8.240 nan 0.000 0.439 367 L N 3.172 124.415 121.223 0.033 0.000 2.362 367 L HA 0.903 5.243 4.340 0.000 0.000 0.275 367 L C -0.040 176.656 176.870 -0.290 0.000 0.998 367 L CA 0.135 54.922 54.840 -0.088 0.000 0.820 367 L CB 1.424 43.547 42.059 0.107 0.000 1.270 367 L HN 0.819 nan 8.230 nan 0.000 0.415 368 G N 2.643 110.978 108.800 -0.776 0.000 2.684 368 G HA2 0.609 4.569 3.960 0.000 0.000 0.290 368 G HA3 0.609 4.569 3.960 0.000 0.000 0.290 368 G C -2.228 172.548 174.900 -0.208 0.000 1.425 368 G CA -0.462 44.297 45.100 -0.569 0.000 0.822 368 G HN 0.652 nan 8.290 nan 0.000 0.482 369 V N 0.414 120.409 119.914 0.135 0.000 2.709 369 V HA 0.694 4.814 4.120 0.000 0.000 0.308 369 V C -1.528 174.745 176.094 0.299 0.000 1.062 369 V CA -1.131 61.342 62.300 0.288 0.000 0.901 369 V CB 2.067 34.084 31.823 0.325 0.000 1.003 369 V HN 0.672 nan 8.190 nan 0.000 0.425 370 N N 5.232 124.107 118.700 0.291 0.000 2.372 370 N HA 0.349 5.089 4.740 0.000 0.000 0.285 370 N C -1.641 173.857 175.510 -0.019 0.000 1.008 370 N CA -0.220 52.859 53.050 0.048 0.000 0.880 370 N CB 2.036 40.474 38.487 -0.082 0.000 1.239 370 N HN 0.834 nan 8.380 nan 0.000 0.484 371 W N 4.404 125.419 121.300 -0.475 0.000 2.294 371 W HA 0.373 5.034 4.660 0.000 0.000 0.314 371 W C -1.217 174.966 176.519 -0.560 0.000 1.044 371 W CA -1.025 55.840 57.345 -0.800 0.000 1.284 371 W CB 0.066 28.779 29.460 -1.245 0.000 1.231 371 W HN 0.408 nan 8.180 nan 0.000 0.419 372 Y N 6.240 126.155 120.300 -0.643 0.000 2.600 372 Y HA 0.342 4.892 4.550 0.000 0.000 0.351 372 Y C 1.447 176.740 175.900 -1.010 0.000 1.042 372 Y CA 0.050 57.776 58.100 -0.622 0.000 1.333 372 Y CB 0.465 38.731 38.460 -0.324 0.000 1.172 372 Y HN 0.640 nan 8.280 nan 0.000 0.517 373 A N 3.303 125.306 122.820 -1.363 0.000 1.972 373 A HA -0.147 4.174 4.320 0.000 0.000 0.219 373 A C 0.678 177.961 177.584 -0.502 0.000 1.169 373 A CA 2.030 53.265 52.037 -1.336 0.000 0.635 373 A CB -0.487 17.685 19.000 -1.380 0.000 0.810 373 A HN 0.907 nan 8.150 nan 0.000 0.446 374 N N -3.858 114.616 118.700 -0.376 0.000 3.387 374 N HA 0.150 4.890 4.740 0.000 0.000 0.294 374 N C -0.339 175.080 175.510 -0.152 0.000 1.519 374 N CA -0.209 52.717 53.050 -0.206 0.000 0.875 374 N CB -0.073 38.309 38.487 -0.176 0.000 1.657 374 N HN -0.032 nan 8.380 nan 0.000 0.527 375 E N -0.906 119.227 120.200 -0.112 0.000 2.418 375 E HA 0.049 4.399 4.350 0.000 0.000 0.197 375 E C 0.909 177.514 176.600 0.009 0.000 1.026 375 E CA 0.938 57.301 56.400 -0.062 0.000 0.862 375 E CB -0.073 29.580 29.700 -0.079 0.000 0.799 375 E HN 0.547 nan 8.360 nan 0.000 0.518 376 A N 0.517 123.268 122.820 -0.115 0.000 1.973 376 A HA 0.115 4.435 4.320 0.000 0.000 0.210 376 A C 0.977 178.357 177.584 -0.340 0.000 1.200 376 A CA 0.195 52.093 52.037 -0.231 0.000 0.707 376 A CB 0.720 19.462 19.000 -0.430 0.000 0.862 376 A HN 0.033 nan 8.150 nan 0.000 0.461 377 V N 0.632 120.339 119.914 -0.345 0.000 2.495 377 V HA 0.455 4.575 4.120 0.000 0.000 0.298 377 V C -0.442 175.441 176.094 -0.352 0.000 1.031 377 V CA -0.666 61.415 62.300 -0.365 0.000 0.871 377 V CB 1.568 33.149 31.823 -0.404 0.000 0.988 377 V HN 0.411 nan 8.190 nan 0.000 0.432 378 K N 3.785 124.007 120.400 -0.296 0.000 2.471 378 K HA 0.748 5.068 4.320 0.000 0.000 0.252 378 K C -1.765 174.673 176.600 -0.270 0.000 0.938 378 K CA -0.469 55.588 56.287 -0.383 0.000 0.796 378 K CB 2.149 34.432 32.500 -0.362 0.000 1.161 378 K HN 0.474 nan 8.250 nan 0.000 0.425 379 V N 2.660 122.437 119.914 -0.229 0.000 2.459 379 V HA 0.521 4.641 4.120 0.000 0.000 0.295 379 V C -0.578 175.499 176.094 -0.028 0.000 1.029 379 V CA -0.630 61.648 62.300 -0.036 0.000 0.874 379 V CB 1.632 33.560 31.823 0.174 0.000 0.985 379 V HN 0.835 nan 8.190 nan 0.000 0.438 380 S N 2.221 117.916 115.700 -0.010 0.000 2.569 380 S HA 0.932 5.402 4.470 0.000 0.000 0.280 380 S C -0.577 174.049 174.600 0.043 0.000 1.111 380 S CA -0.513 57.700 58.200 0.022 0.000 0.887 380 S CB 2.102 65.295 63.200 -0.012 0.000 1.095 380 S HN 1.192 nan 8.310 nan 0.000 0.476 381 A N 2.198 125.062 122.820 0.073 0.000 2.459 381 A HA 0.809 5.130 4.320 0.000 0.000 0.296 381 A C -1.539 176.055 177.584 0.017 0.000 1.039 381 A CA -0.784 51.258 52.037 0.008 0.000 0.698 381 A CB 1.020 20.012 19.000 -0.014 0.000 1.261 381 A HN 0.613 nan 8.150 nan 0.000 0.405 382 N N 0.486 119.158 118.700 -0.046 0.000 2.296 382 N HA 0.556 5.296 4.740 0.000 0.000 0.294 382 N C -1.798 173.644 175.510 -0.114 0.000 1.033 382 N CA -0.133 52.914 53.050 -0.005 0.000 0.839 382 N CB 1.170 39.716 38.487 0.098 0.000 1.395 382 N HN 0.552 nan 8.380 nan 0.000 0.479 383 Y N 0.474 120.787 120.300 0.021 0.000 2.320 383 Y HA 0.500 5.050 4.550 0.000 0.000 0.334 383 Y C 0.151 176.092 175.900 0.069 0.000 1.055 383 Y CA -0.542 57.586 58.100 0.046 0.000 1.143 383 Y CB 1.138 39.624 38.460 0.044 0.000 1.193 383 Y HN 0.119 nan 8.280 nan 0.000 0.477 384 V N 4.225 124.284 119.914 0.242 0.000 2.604 384 V HA 0.479 4.599 4.120 0.000 0.000 0.305 384 V C -0.702 175.566 176.094 0.290 0.000 1.043 384 V CA -1.496 60.937 62.300 0.221 0.000 0.888 384 V CB 1.884 33.793 31.823 0.145 0.000 0.995 384 V HN 0.608 nan 8.190 nan 0.000 0.429 385 K N 2.974 123.543 120.400 0.282 0.000 2.413 385 K HA 0.823 5.143 4.320 0.000 0.000 0.257 385 K C -0.606 176.125 176.600 0.218 0.000 0.946 385 K CA -0.391 56.057 56.287 0.269 0.000 0.823 385 K CB 2.445 35.095 32.500 0.249 0.000 1.109 385 K HN 0.837 nan 8.250 nan 0.000 0.427 386 A N 2.735 125.632 122.820 0.129 0.000 2.324 386 A HA 0.660 4.980 4.320 0.000 0.000 0.330 386 A C -0.976 176.561 177.584 -0.080 0.000 1.165 386 A CA -0.535 51.483 52.037 -0.032 0.000 0.813 386 A CB 1.121 19.986 19.000 -0.226 0.000 1.197 386 A HN 0.548 nan 8.150 nan 0.000 0.484 387 K N 0.917 121.254 120.400 -0.105 0.000 2.507 387 K HA 0.603 4.923 4.320 0.000 0.000 0.251 387 K C -0.459 176.036 176.600 -0.175 0.000 0.943 387 K CA 0.041 56.264 56.287 -0.107 0.000 0.794 387 K CB 1.556 34.058 32.500 0.005 0.000 1.188 387 K HN 0.888 nan 8.250 nan 0.000 0.428 388 T N -0.424 113.977 114.554 -0.255 0.000 2.942 388 T HA 0.649 4.999 4.350 0.000 0.000 0.289 388 T C -1.034 173.564 174.700 -0.170 0.000 1.044 388 T CA -0.746 61.191 62.100 -0.272 0.000 1.023 388 T CB 1.628 70.176 68.868 -0.533 0.000 1.123 388 T HN 0.437 nan 8.240 nan 0.000 0.512 389 D N -0.613 119.688 120.400 -0.165 0.000 2.896 389 D HA 0.376 5.016 4.640 0.000 0.000 0.241 389 D C -0.298 175.912 176.300 -0.150 0.000 1.188 389 D CA -0.580 53.353 54.000 -0.111 0.000 0.879 389 D CB 1.098 41.865 40.800 -0.056 0.000 1.553 389 D HN 0.777 nan 8.370 nan 0.000 0.515 390 K N 0.919 121.254 120.400 -0.107 0.000 3.407 390 K HA -0.213 4.107 4.320 0.000 0.000 0.312 390 K C -0.357 176.159 176.600 -0.139 0.000 1.302 390 K CA 0.775 57.001 56.287 -0.102 0.000 0.931 390 K CB -1.380 31.068 32.500 -0.087 0.000 1.257 390 K HN 0.587 nan 8.250 nan 0.000 0.454 391 I N 0.055 120.524 120.570 -0.169 0.000 2.752 391 I HA 0.355 4.525 4.170 0.000 0.000 0.295 391 I C -0.744 175.393 176.117 0.033 0.000 1.219 391 I CA -0.326 60.900 61.300 -0.123 0.000 1.030 391 I CB 2.015 39.822 38.000 -0.322 0.000 1.259 391 I HN 0.189 nan 8.210 nan 0.000 0.423 392 S N 3.967 119.761 115.700 0.155 0.000 2.705 392 S HA 0.584 5.055 4.470 0.000 0.000 0.280 392 S C -1.000 173.689 174.600 0.148 0.000 1.174 392 S CA -0.938 57.416 58.200 0.256 0.000 0.823 392 S CB 1.467 64.735 63.200 0.114 0.000 1.162 392 S HN 0.744 nan 8.310 nan 0.000 0.487 393 N N 0.494 119.214 118.700 0.034 0.000 2.327 393 N HA 0.486 5.226 4.740 0.000 0.000 0.257 393 N C 1.259 176.757 175.510 -0.019 0.000 1.281 393 N CA -0.145 52.847 53.050 -0.096 0.000 0.942 393 N CB -0.301 38.094 38.487 -0.154 0.000 1.199 393 N HN 0.908 nan 8.380 nan 0.000 0.532 394 A N -0.589 122.215 122.820 -0.026 0.000 2.070 394 A HA -0.187 4.133 4.320 0.000 0.000 0.220 394 A C 1.785 179.371 177.584 0.004 0.000 1.159 394 A CA 1.550 53.584 52.037 -0.006 0.000 0.656 394 A CB -1.059 17.937 19.000 -0.007 0.000 0.800 394 A HN 0.792 nan 8.150 nan 0.000 0.453 395 N N -1.029 117.675 118.700 0.006 0.000 2.467 395 N HA 0.138 4.878 4.740 0.000 0.000 0.184 395 N C 1.045 176.570 175.510 0.024 0.000 1.106 395 N CA 1.274 54.333 53.050 0.016 0.000 0.892 395 N CB 0.005 38.503 38.487 0.019 0.000 0.969 395 N HN 0.572 nan 8.380 nan 0.000 0.454 396 G N -0.387 108.431 108.800 0.030 0.000 2.157 396 G HA2 -0.220 3.740 3.960 0.000 0.000 0.248 396 G HA3 -0.220 3.740 3.960 0.000 0.000 0.248 396 G C -0.753 174.179 174.900 0.055 0.000 0.979 396 G CA 0.069 45.192 45.100 0.038 0.000 0.650 396 G HN 0.385 nan 8.290 nan 0.000 0.529 397 D N 1.262 121.706 120.400 0.072 0.000 2.351 397 D HA 0.354 4.994 4.640 0.000 0.000 0.251 397 D C 0.747 177.142 176.300 0.159 0.000 1.137 397 D CA 0.552 54.611 54.000 0.098 0.000 0.879 397 D CB 1.191 42.052 40.800 0.102 0.000 1.181 397 D HN 0.437 nan 8.370 nan 0.000 0.448 398 D N -0.746 119.706 120.400 0.088 0.000 2.440 398 D HA -0.020 4.620 4.640 0.000 0.000 0.216 398 D C -0.162 176.101 176.300 -0.060 0.000 1.150 398 D CA -0.401 53.608 54.000 0.015 0.000 0.832 398 D CB 0.091 40.874 40.800 -0.028 0.000 0.992 398 D HN 0.143 nan 8.370 nan 0.000 0.502 399 S N -1.626 114.082 115.700 0.015 0.000 2.564 399 S HA 0.840 5.310 4.470 0.000 0.000 0.274 399 S C -0.147 174.475 174.600 0.037 0.000 1.124 399 S CA -0.567 57.627 58.200 -0.009 0.000 0.869 399 S CB 2.309 65.521 63.200 0.021 0.000 1.105 399 S HN 0.310 nan 8.310 nan 0.000 0.472 400 G N 0.519 109.312 108.800 -0.012 0.000 2.704 400 G HA2 0.645 4.605 3.960 0.000 0.000 0.293 400 G HA3 0.645 4.605 3.960 0.000 0.000 0.293 400 G C -2.249 172.804 174.900 0.254 0.000 1.421 400 G CA -0.715 44.423 45.100 0.062 0.000 0.870 400 G HN 0.659 nan 8.290 nan 0.000 0.492 401 D N -0.668 119.984 120.400 0.420 0.000 2.575 401 D HA 0.666 5.306 4.640 0.000 0.000 0.236 401 D C -0.179 176.375 176.300 0.424 0.000 1.075 401 D CA -0.163 54.079 54.000 0.403 0.000 0.860 401 D CB 2.445 43.401 40.800 0.259 0.000 1.475 401 D HN 0.738 nan 8.370 nan 0.000 0.474 402 G N 0.142 109.115 108.800 0.288 0.000 2.696 402 G HA2 0.528 4.488 3.960 0.000 0.000 0.295 402 G HA3 0.528 4.488 3.960 0.000 0.000 0.295 402 G C -1.937 173.011 174.900 0.080 0.000 1.398 402 G CA -0.503 44.670 45.100 0.122 0.000 0.920 402 G HN 0.285 nan 8.290 nan 0.000 0.492 403 L N 1.885 123.105 121.223 -0.006 0.000 2.406 403 L HA 0.819 5.160 4.340 0.000 0.000 0.272 403 L C -1.059 175.722 176.870 -0.149 0.000 0.980 403 L CA -1.036 53.697 54.840 -0.178 0.000 0.831 403 L CB 1.766 43.666 42.059 -0.264 0.000 1.253 403 L HN 0.586 nan 8.230 nan 0.000 0.406 404 V N 6.512 126.333 119.914 -0.155 0.000 2.735 404 V HA 0.686 4.806 4.120 0.000 0.000 0.310 404 V C -0.650 175.389 176.094 -0.092 0.000 1.061 404 V CA -0.503 61.733 62.300 -0.107 0.000 0.913 404 V CB 2.068 33.849 31.823 -0.071 0.000 1.005 404 V HN 0.890 nan 8.190 nan 0.000 0.428 405 M N 6.190 125.756 119.600 -0.057 0.000 2.602 405 M HA 0.659 5.139 4.480 0.000 0.000 0.312 405 M C -0.702 175.571 176.300 -0.045 0.000 1.181 405 M CA -0.691 54.592 55.300 -0.029 0.000 0.910 405 M CB 2.412 35.017 32.600 0.009 0.000 1.723 405 M HN 0.664 nan 8.290 nan 0.000 0.459 406 R N 1.987 122.462 120.500 -0.042 0.000 2.621 406 R HA 0.665 5.005 4.340 0.000 0.000 0.284 406 R C -2.207 174.065 176.300 -0.046 0.000 0.998 406 R CA -0.775 55.283 56.100 -0.069 0.000 0.895 406 R CB 1.855 32.103 30.300 -0.086 0.000 1.195 406 R HN 0.645 nan 8.270 nan 0.000 0.450 407 L N 3.556 124.754 121.223 -0.040 0.000 2.287 407 L HA 0.428 4.768 4.340 0.000 0.000 0.287 407 L C -1.036 175.827 176.870 -0.012 0.000 1.022 407 L CA 0.052 54.884 54.840 -0.013 0.000 0.814 407 L CB 1.575 43.648 42.059 0.023 0.000 1.217 407 L HN 0.739 nan 8.230 nan 0.000 0.420 408 Q N 4.294 124.067 119.800 -0.045 0.000 2.333 408 Q HA 0.355 4.695 4.340 0.000 0.000 0.267 408 Q C -2.098 173.903 176.000 0.002 0.000 1.012 408 Q CA -0.668 55.105 55.803 -0.051 0.000 0.824 408 Q CB 1.706 30.351 28.738 -0.155 0.000 1.290 408 Q HN 0.741 nan 8.270 nan 0.000 0.449 409 Y N 3.958 124.225 120.300 -0.055 0.000 2.331 409 Y HA 0.526 5.076 4.550 0.000 0.000 0.334 409 Y C -1.046 174.865 175.900 0.020 0.000 0.960 409 Y CA -0.945 57.156 58.100 0.001 0.000 1.130 409 Y CB 1.571 40.057 38.460 0.043 0.000 1.164 409 Y HN 0.552 nan 8.280 nan 0.000 0.458 410 V N 4.433 124.452 119.914 0.176 0.000 2.628 410 V HA 0.798 4.918 4.120 0.000 0.000 0.306 410 V C -1.102 175.180 176.094 0.312 0.000 1.045 410 V CA -0.762 61.608 62.300 0.116 0.000 0.905 410 V CB 1.401 33.163 31.823 -0.101 0.000 0.997 410 V HN 0.705 nan 8.190 nan 0.000 0.436 411 F N 0.000 120.017 119.950 0.112 0.000 2.286 411 F HA 0.000 4.527 4.527 0.000 0.000 0.279 411 F CA 0.000 58.058 58.000 0.096 0.000 1.383 411 F CB 0.000 39.082 39.000 0.137 0.000 1.145 411 F HN 0.000 nan 8.300 nan 0.000 0.574