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 3ab4_1_I DATA FIRST_RESID 2 DATA SEQUENCE ALVVQKYGGS SLESAERIRN VAERIVATKK AGNDVVVVCS AMGDTTDELL DATA SEQUENCE ELAAAVNPVP PAREMDMLLT AGERISNALV AMAIESLGAE AQSFTXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXPGRV REALDEGKIC IVAGXXXXXX XXXXXXXXXX DATA SEQUENCE XXSDTTAVAL AAALNADVCE IYSDVDGVYT ADPRIVPNAQ KLEKLSFEEM DATA SEQUENCE LELAAVGSKI LVLRSVEYAR AFNVPLRVRS SYSNDPGTLI AGSMEDIPVX DATA SEQUENCE XAVLTGVATD KSEAKVTVLG ISDKPGEAAK VFRALADAEI NIDMVLQNVF DATA SEQUENCE SXXXXTTDIT FTCPRSDGRR AMEILKKLQV QGNWTNVLYD DQVGKVSLVG DATA SEQUENCE AGMKSHPGVT AEFMEALRDV NVNIELISTS EIRISVLIRE DDLDAAARAL DATA SEQUENCE HEQFQ 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.597 177.584 0.021 0.000 1.274 2 A CA 0.000 52.049 52.037 0.020 0.000 0.836 2 A CB 0.000 19.014 19.000 0.023 0.000 0.831 3 L N 1.622 122.857 121.223 0.020 0.000 2.283 3 L HA 0.668 5.008 4.340 0.001 0.000 0.281 3 L C -0.255 176.629 176.870 0.025 0.000 1.033 3 L CA -0.498 54.353 54.840 0.019 0.000 0.848 3 L CB 0.868 42.933 42.059 0.009 0.000 1.226 3 L HN 1.380 nan 8.230 nan 0.000 0.429 4 V N 4.508 124.442 119.914 0.034 0.000 2.483 4 V HA 0.783 4.903 4.120 0.001 0.000 0.295 4 V C -0.567 175.556 176.094 0.049 0.000 1.035 4 V CA -0.497 61.830 62.300 0.045 0.000 0.896 4 V CB 1.737 33.596 31.823 0.059 0.000 0.986 4 V HN 0.406 nan 8.190 nan 0.000 0.447 5 V N 5.594 125.536 119.914 0.047 0.000 2.513 5 V HA 0.587 4.707 4.120 0.001 0.000 0.299 5 V C -0.113 176.021 176.094 0.067 0.000 1.035 5 V CA -0.419 61.909 62.300 0.046 0.000 0.889 5 V CB 1.462 33.297 31.823 0.020 0.000 0.988 5 V HN 1.058 nan 8.190 nan 0.000 0.440 6 Q N 3.131 122.982 119.800 0.084 0.000 2.372 6 Q HA 0.561 4.901 4.340 0.001 0.000 0.273 6 Q C -1.069 174.956 176.000 0.043 0.000 1.078 6 Q CA -0.860 54.999 55.803 0.093 0.000 0.806 6 Q CB 3.203 32.031 28.738 0.149 0.000 1.332 6 Q HN 0.561 nan 8.270 nan 0.000 0.435 7 K N 2.380 122.746 120.400 -0.057 0.000 2.397 7 K HA 0.420 4.741 4.320 0.001 0.000 0.253 7 K C -1.957 174.531 176.600 -0.187 0.000 0.932 7 K CA -0.483 55.785 56.287 -0.032 0.000 0.795 7 K CB 1.257 33.753 32.500 -0.006 0.000 1.159 7 K HN 0.624 nan 8.250 nan 0.000 0.424 8 Y N 0.557 120.900 120.300 0.071 0.000 2.391 8 Y HA 0.433 4.983 4.550 0.000 0.000 0.341 8 Y C 0.796 176.724 175.900 0.046 0.000 0.965 8 Y CA -0.567 57.568 58.100 0.058 0.000 1.067 8 Y CB 2.320 40.770 38.460 -0.016 0.000 1.199 8 Y HN 0.761 nan 8.280 nan 0.000 0.450 9 G N 0.482 109.395 108.800 0.188 0.000 2.537 9 G HA2 0.402 4.362 3.960 0.001 0.000 0.297 9 G HA3 0.402 4.362 3.960 0.001 0.000 0.297 9 G C 0.999 175.970 174.900 0.119 0.000 1.310 9 G CA -0.299 44.877 45.100 0.127 0.000 1.027 9 G HN 0.838 nan 8.290 nan 0.000 0.505 10 G N -0.231 108.622 108.800 0.088 0.000 2.446 10 G HA2 -0.199 3.762 3.960 0.001 0.000 0.217 10 G HA3 -0.199 3.762 3.960 0.001 0.000 0.217 10 G C 1.985 176.936 174.900 0.085 0.000 1.168 10 G CA 1.688 46.831 45.100 0.073 0.000 0.771 10 G HN 0.573 nan 8.290 nan 0.000 0.551 11 S N 0.999 116.762 115.700 0.106 0.000 2.399 11 S HA -0.083 4.388 4.470 0.001 0.000 0.231 11 S C 2.520 177.227 174.600 0.178 0.000 1.022 11 S CA 1.315 59.596 58.200 0.135 0.000 0.983 11 S CB -0.162 63.127 63.200 0.148 0.000 0.803 11 S HN 0.337 nan 8.310 nan 0.000 0.480 12 S N 1.057 116.857 115.700 0.168 0.000 2.515 12 S HA 0.214 4.684 4.470 0.001 0.000 0.231 12 S C 0.915 175.531 174.600 0.027 0.000 0.987 12 S CA 0.576 58.841 58.200 0.108 0.000 0.936 12 S CB -0.118 63.192 63.200 0.183 0.000 0.766 12 S HN 0.399 nan 8.310 nan 0.000 0.528 13 L N 1.415 122.664 121.223 0.043 0.000 3.288 13 L HA 0.261 4.601 4.340 0.001 0.000 0.293 13 L C 1.330 178.210 176.870 0.016 0.000 1.294 13 L CA -0.045 54.795 54.840 0.000 0.000 1.006 13 L CB 0.127 42.185 42.059 -0.001 0.000 1.407 13 L HN 0.300 nan 8.230 nan 0.000 0.592 14 E N -0.466 119.756 120.200 0.037 0.000 2.502 14 E HA 0.048 4.399 4.350 0.001 0.000 0.194 14 E C 0.538 177.153 176.600 0.026 0.000 1.062 14 E CA 0.109 56.533 56.400 0.040 0.000 0.867 14 E CB 0.544 30.281 29.700 0.061 0.000 0.888 14 E HN 0.224 nan 8.360 nan 0.000 0.510 15 S N -1.682 114.026 115.700 0.013 0.000 2.578 15 S HA 0.507 4.978 4.470 0.001 0.000 0.272 15 S C 0.066 174.659 174.600 -0.012 0.000 1.145 15 S CA -0.113 58.090 58.200 0.006 0.000 0.835 15 S CB 1.087 64.298 63.200 0.019 0.000 1.104 15 S HN 0.116 nan 8.310 nan 0.000 0.458 16 A N 1.684 124.496 122.820 -0.013 0.000 1.930 16 A HA 0.040 4.361 4.320 0.001 0.000 0.217 16 A C 1.781 179.347 177.584 -0.030 0.000 1.175 16 A CA 1.803 53.826 52.037 -0.024 0.000 0.627 16 A CB -0.887 18.102 19.000 -0.018 0.000 0.815 16 A HN 0.910 nan 8.150 nan 0.000 0.443 17 E N -0.806 119.383 120.200 -0.018 0.000 2.110 17 E HA -0.229 4.121 4.350 0.001 0.000 0.193 17 E C 2.260 178.839 176.600 -0.035 0.000 0.988 17 E CA 0.984 57.372 56.400 -0.019 0.000 0.804 17 E CB -0.001 29.698 29.700 -0.002 0.000 0.745 17 E HN 0.342 nan 8.360 nan 0.000 0.458 18 R N 0.492 120.972 120.500 -0.033 0.000 2.066 18 R HA -0.020 4.321 4.340 0.001 0.000 0.232 18 R C 2.209 178.442 176.300 -0.111 0.000 1.131 18 R CA 0.999 57.062 56.100 -0.063 0.000 0.955 18 R CB -0.550 29.733 30.300 -0.028 0.000 0.851 18 R HN 0.235 nan 8.270 nan 0.000 0.432 19 I N 0.238 120.751 120.570 -0.095 0.000 2.163 19 I HA -0.329 3.842 4.170 0.001 0.000 0.243 19 I C 2.320 178.354 176.117 -0.139 0.000 1.085 19 I CA 1.503 62.728 61.300 -0.125 0.000 1.347 19 I CB -0.250 37.697 38.000 -0.089 0.000 1.044 19 I HN 0.127 nan 8.210 nan 0.000 0.408 20 R N 0.399 120.840 120.500 -0.100 0.000 2.091 20 R HA -0.213 4.127 4.340 0.001 0.000 0.238 20 R C 2.242 178.476 176.300 -0.110 0.000 1.136 20 R CA 1.680 57.725 56.100 -0.092 0.000 0.959 20 R CB -0.737 29.526 30.300 -0.062 0.000 0.856 20 R HN 0.478 nan 8.270 nan 0.000 0.437 21 N N 0.885 119.518 118.700 -0.112 0.000 2.069 21 N HA -0.146 4.594 4.740 0.001 0.000 0.191 21 N C 1.766 177.169 175.510 -0.177 0.000 1.031 21 N CA 1.551 54.528 53.050 -0.120 0.000 0.852 21 N CB 0.028 38.448 38.487 -0.112 0.000 1.018 21 N HN 0.008 nan 8.380 nan 0.000 0.423 22 V N 1.778 121.538 119.914 -0.257 0.000 2.407 22 V HA -0.188 3.932 4.120 0.001 0.000 0.248 22 V C 2.635 178.503 176.094 -0.376 0.000 1.055 22 V CA 1.733 63.779 62.300 -0.422 0.000 1.049 22 V CB -1.052 30.378 31.823 -0.654 0.000 0.662 22 V HN 0.408 nan 8.190 nan 0.000 0.455 23 A N -0.445 122.215 122.820 -0.267 0.000 1.908 23 A HA -0.272 4.048 4.320 0.001 0.000 0.218 23 A C 2.343 179.841 177.584 -0.143 0.000 1.181 23 A CA 1.984 53.905 52.037 -0.193 0.000 0.627 23 A CB -0.471 18.447 19.000 -0.137 0.000 0.818 23 A HN 0.514 nan 8.150 nan 0.000 0.445 24 E N 0.154 120.281 120.200 -0.123 0.000 2.106 24 E HA -0.163 4.188 4.350 0.001 0.000 0.192 24 E C 2.237 178.792 176.600 -0.075 0.000 0.984 24 E CA 0.955 57.306 56.400 -0.082 0.000 0.806 24 E CB -0.244 29.417 29.700 -0.064 0.000 0.750 24 E HN 0.633 nan 8.360 nan 0.000 0.458 25 R N -0.013 120.425 120.500 -0.103 0.000 2.073 25 R HA -0.090 4.250 4.340 0.001 0.000 0.234 25 R C 2.654 178.918 176.300 -0.060 0.000 1.134 25 R CA 1.487 57.541 56.100 -0.077 0.000 0.952 25 R CB -0.317 29.913 30.300 -0.115 0.000 0.850 25 R HN 0.217 nan 8.270 nan 0.000 0.433 26 I N 0.018 120.527 120.570 -0.101 0.000 2.127 26 I HA -0.294 3.876 4.170 0.001 0.000 0.241 26 I C 2.219 178.320 176.117 -0.026 0.000 1.075 26 I CA 1.286 62.553 61.300 -0.055 0.000 1.334 26 I CB -0.243 37.700 38.000 -0.094 0.000 1.040 26 I HN -0.011 nan 8.210 nan 0.000 0.405 27 V N 0.881 120.771 119.914 -0.040 0.000 2.407 27 V HA -0.272 3.848 4.120 0.001 0.000 0.248 27 V C 2.653 178.741 176.094 -0.010 0.000 1.055 27 V CA 1.827 64.113 62.300 -0.023 0.000 1.049 27 V CB -1.063 30.742 31.823 -0.031 0.000 0.662 27 V HN 0.506 nan 8.190 nan 0.000 0.455 28 A N -0.089 122.724 122.820 -0.011 0.000 1.972 28 A HA -0.216 4.104 4.320 0.001 0.000 0.219 28 A C 2.388 179.982 177.584 0.016 0.000 1.169 28 A CA 2.410 54.448 52.037 0.002 0.000 0.635 28 A CB -0.860 18.142 19.000 0.003 0.000 0.810 28 A HN 0.509 nan 8.150 nan 0.000 0.446 29 T N -0.554 114.014 114.554 0.022 0.000 2.821 29 T HA -0.106 4.245 4.350 0.001 0.000 0.267 29 T C 1.962 176.681 174.700 0.031 0.000 1.046 29 T CA 1.526 63.649 62.100 0.039 0.000 1.139 29 T CB -0.107 68.795 68.868 0.057 0.000 0.871 29 T HN 0.570 nan 8.240 nan 0.000 0.454 30 K N 1.177 121.590 120.400 0.022 0.000 2.025 30 K HA -0.080 4.240 4.320 0.001 0.000 0.207 30 K C 2.270 178.880 176.600 0.015 0.000 1.049 30 K CA 1.102 57.400 56.287 0.019 0.000 0.933 30 K CB -0.033 32.475 32.500 0.014 0.000 0.714 30 K HN 0.200 nan 8.250 nan 0.000 0.438 31 K N 0.188 120.595 120.400 0.012 0.000 2.034 31 K HA -0.185 4.135 4.320 0.001 0.000 0.214 31 K C 1.920 178.528 176.600 0.013 0.000 1.051 31 K CA 1.645 57.938 56.287 0.010 0.000 0.931 31 K CB -0.329 32.176 32.500 0.008 0.000 0.715 31 K HN 0.205 nan 8.250 nan 0.000 0.446 32 A N 0.670 123.500 122.820 0.017 0.000 2.272 32 A HA 0.024 4.344 4.320 0.001 0.000 0.213 32 A C 0.963 178.558 177.584 0.018 0.000 1.183 32 A CA 1.125 53.174 52.037 0.019 0.000 0.719 32 A CB -0.803 18.212 19.000 0.025 0.000 0.771 32 A HN 0.533 nan 8.150 nan 0.000 0.484 33 G N -0.908 107.902 108.800 0.017 0.000 2.638 33 G HA2 -0.143 3.818 3.960 0.001 0.000 0.269 33 G HA3 -0.143 3.818 3.960 0.001 0.000 0.269 33 G C -0.670 174.241 174.900 0.019 0.000 1.141 33 G CA -0.000 45.109 45.100 0.016 0.000 1.081 33 G HN 0.708 nan 8.290 nan 0.000 0.527 34 N N 0.279 118.991 118.700 0.021 0.000 2.324 34 N HA 0.459 5.199 4.740 0.001 0.000 0.285 34 N C -1.666 173.858 175.510 0.024 0.000 1.076 34 N CA -1.034 52.030 53.050 0.024 0.000 0.864 34 N CB 1.575 40.081 38.487 0.031 0.000 1.632 34 N HN 0.083 nan 8.380 nan 0.000 0.478 35 D N 1.181 121.594 120.400 0.023 0.000 2.277 35 D HA 0.261 4.902 4.640 0.001 0.000 0.249 35 D C -0.664 175.653 176.300 0.028 0.000 1.134 35 D CA -0.083 53.931 54.000 0.023 0.000 0.863 35 D CB 1.632 42.443 40.800 0.018 0.000 1.143 35 D HN 0.178 nan 8.370 nan 0.000 0.458 36 V N 2.478 122.412 119.914 0.034 0.000 2.531 36 V HA 0.598 4.718 4.120 0.001 0.000 0.301 36 V C -0.674 175.448 176.094 0.046 0.000 1.034 36 V CA -0.723 61.603 62.300 0.042 0.000 0.865 36 V CB 1.773 33.626 31.823 0.050 0.000 0.995 36 V HN 0.323 nan 8.190 nan 0.000 0.424 37 V N 5.583 125.523 119.914 0.043 0.000 2.667 37 V HA 0.950 5.071 4.120 0.001 0.000 0.308 37 V C -0.604 175.529 176.094 0.066 0.000 1.048 37 V CA -0.077 62.251 62.300 0.046 0.000 0.928 37 V CB 1.605 33.430 31.823 0.004 0.000 1.004 37 V HN 1.796 nan 8.190 nan 0.000 0.444 38 V N 5.305 125.270 119.914 0.084 0.000 2.760 38 V HA 0.770 4.890 4.120 0.001 0.000 0.309 38 V C -0.896 175.261 176.094 0.105 0.000 1.077 38 V CA -0.323 62.046 62.300 0.115 0.000 0.910 38 V CB 2.139 34.058 31.823 0.160 0.000 1.008 38 V HN 0.973 nan 8.190 nan 0.000 0.424 39 V N 5.928 125.906 119.914 0.106 0.000 2.370 39 V HA 0.482 4.602 4.120 0.001 0.000 0.279 39 V C 0.119 176.285 176.094 0.121 0.000 1.029 39 V CA -0.289 62.062 62.300 0.086 0.000 0.870 39 V CB 1.110 32.960 31.823 0.046 0.000 0.984 39 V HN 1.069 nan 8.190 nan 0.000 0.451 40 C N 3.725 123.084 119.300 0.099 0.000 2.411 40 C HA 0.677 5.138 4.460 0.001 0.000 0.330 40 C C 0.975 176.008 174.990 0.071 0.000 1.224 40 C CA -0.439 58.640 59.018 0.101 0.000 1.770 40 C CB 1.372 29.151 27.740 0.064 0.000 2.297 40 C HN 0.926 nan 8.230 nan 0.000 0.507 41 S N 1.038 116.784 115.700 0.076 0.000 2.686 41 S HA 0.686 5.156 4.470 0.001 0.000 0.270 41 S C 0.326 174.953 174.600 0.045 0.000 1.194 41 S CA -0.497 57.736 58.200 0.055 0.000 0.990 41 S CB 0.696 63.932 63.200 0.060 0.000 1.029 41 S HN 1.011 nan 8.310 nan 0.000 0.560 42 A N 0.814 123.656 122.820 0.036 0.000 2.332 42 A HA 0.482 4.802 4.320 0.001 0.000 0.258 42 A C 0.257 177.860 177.584 0.031 0.000 1.087 42 A CA -0.420 51.634 52.037 0.028 0.000 0.802 42 A CB -0.255 18.759 19.000 0.023 0.000 1.042 42 A HN 0.769 nan 8.150 nan 0.000 0.489 43 M N 1.593 121.207 119.600 0.023 0.000 2.248 43 M HA 0.141 4.621 4.480 0.001 0.000 0.345 43 M C 1.280 177.599 176.300 0.031 0.000 1.243 43 M CA 0.599 55.914 55.300 0.024 0.000 1.090 43 M CB -0.091 32.517 32.600 0.014 0.000 1.683 43 M HN 0.900 nan 8.290 nan 0.000 0.450 44 G N 3.236 112.060 108.800 0.040 0.000 2.641 44 G HA2 -0.124 3.837 3.960 0.001 0.000 0.293 44 G HA3 -0.124 3.837 3.960 0.001 0.000 0.293 44 G C 0.251 175.172 174.900 0.035 0.000 0.541 44 G CA 0.113 45.240 45.100 0.045 0.000 1.196 44 G HN 1.009 nan 8.290 nan 0.000 0.237 45 D N -0.216 120.204 120.400 0.033 0.000 2.619 45 D HA -0.242 4.398 4.640 0.001 0.000 0.181 45 D C 1.898 178.211 176.300 0.022 0.000 0.913 45 D CA 1.840 55.856 54.000 0.027 0.000 0.996 45 D CB -1.534 39.281 40.800 0.024 0.000 1.043 45 D HN 0.799 nan 8.370 nan 0.000 0.466 46 T N -2.179 112.388 114.554 0.022 0.000 2.867 46 T HA -0.132 4.218 4.350 0.001 0.000 0.268 46 T C 1.854 176.565 174.700 0.017 0.000 1.057 46 T CA 2.365 64.476 62.100 0.018 0.000 1.136 46 T CB -0.301 68.577 68.868 0.016 0.000 0.874 46 T HN 0.162 nan 8.240 nan 0.000 0.466 47 T N 2.430 116.996 114.554 0.020 0.000 2.708 47 T HA -0.108 4.242 4.350 0.001 0.000 0.266 47 T C 1.736 176.447 174.700 0.018 0.000 1.037 47 T CA 1.810 63.921 62.100 0.019 0.000 1.146 47 T CB -0.649 68.231 68.868 0.022 0.000 0.865 47 T HN 0.847 nan 8.240 nan 0.000 0.435 48 D N 1.175 121.587 120.400 0.019 0.000 2.183 48 D HA -0.083 4.557 4.640 0.001 0.000 0.203 48 D C 1.838 178.147 176.300 0.016 0.000 0.969 48 D CA 0.989 55.000 54.000 0.018 0.000 0.842 48 D CB -0.571 40.240 40.800 0.019 0.000 0.957 48 D HN 0.387 nan 8.370 nan 0.000 0.484 49 E N -0.614 119.596 120.200 0.016 0.000 2.118 49 E HA -0.124 4.227 4.350 0.001 0.000 0.195 49 E C 1.788 178.395 176.600 0.012 0.000 0.992 49 E CA 0.549 56.957 56.400 0.014 0.000 0.804 49 E CB 0.003 29.710 29.700 0.013 0.000 0.741 49 E HN 0.181 nan 8.360 nan 0.000 0.458 50 L N 0.237 121.468 121.223 0.013 0.000 2.027 50 L HA -0.164 4.176 4.340 0.001 0.000 0.206 50 L C 2.109 178.986 176.870 0.012 0.000 1.074 50 L CA 1.242 56.089 54.840 0.012 0.000 0.745 50 L CB -0.829 41.237 42.059 0.012 0.000 0.898 50 L HN 0.203 nan 8.230 nan 0.000 0.433 51 L N -0.208 121.023 121.223 0.013 0.000 2.081 51 L HA -0.245 4.095 4.340 0.001 0.000 0.212 51 L C 2.589 179.466 176.870 0.012 0.000 1.080 51 L CA 1.512 56.359 54.840 0.013 0.000 0.754 51 L CB -1.142 40.926 42.059 0.015 0.000 0.893 51 L HN 0.474 nan 8.230 nan 0.000 0.433 52 E N -0.871 119.336 120.200 0.012 0.000 2.051 52 E HA -0.225 4.126 4.350 0.001 0.000 0.192 52 E C 2.219 178.825 176.600 0.010 0.000 0.991 52 E CA 0.791 57.197 56.400 0.011 0.000 0.799 52 E CB 0.090 29.797 29.700 0.011 0.000 0.748 52 E HN 0.204 nan 8.360 nan 0.000 0.449 53 L N 1.040 122.269 121.223 0.009 0.000 1.989 53 L HA -0.174 4.166 4.340 0.001 0.000 0.211 53 L C 2.511 179.386 176.870 0.008 0.000 1.071 53 L CA 2.103 56.948 54.840 0.008 0.000 0.749 53 L CB -1.507 40.557 42.059 0.008 0.000 0.890 53 L HN 0.170 nan 8.230 nan 0.000 0.431 54 A N -0.864 121.962 122.820 0.009 0.000 1.908 54 A HA -0.183 4.137 4.320 0.001 0.000 0.218 54 A C 2.470 180.059 177.584 0.009 0.000 1.181 54 A CA 2.068 54.110 52.037 0.009 0.000 0.627 54 A CB -0.897 18.108 19.000 0.010 0.000 0.818 54 A HN 0.441 nan 8.150 nan 0.000 0.445 55 A N -0.192 122.633 122.820 0.009 0.000 1.902 55 A HA 0.147 4.467 4.320 0.001 0.000 0.217 55 A C 2.494 180.083 177.584 0.008 0.000 1.181 55 A CA 2.092 54.135 52.037 0.009 0.000 0.623 55 A CB -1.032 17.974 19.000 0.010 0.000 0.818 55 A HN 1.149 nan 8.150 nan 0.000 0.443 56 A N -0.798 122.027 122.820 0.008 0.000 1.978 56 A HA 0.010 4.331 4.320 0.001 0.000 0.220 56 A C 2.031 179.619 177.584 0.006 0.000 1.170 56 A CA 2.084 54.126 52.037 0.007 0.000 0.636 56 A CB -0.518 18.486 19.000 0.007 0.000 0.810 56 A HN 0.540 nan 8.150 nan 0.000 0.448 57 V N -1.482 118.436 119.914 0.006 0.000 3.379 57 V HA 0.154 4.275 4.120 0.001 0.000 0.249 57 V C 0.686 176.783 176.094 0.006 0.000 1.184 57 V CA 0.893 63.197 62.300 0.006 0.000 1.106 57 V CB -0.492 31.335 31.823 0.006 0.000 0.826 57 V HN 0.664 nan 8.190 nan 0.000 0.465 58 N N 1.012 119.715 118.700 0.007 0.000 2.699 58 N HA 0.269 5.009 4.740 0.001 0.000 0.271 58 N C -3.139 172.375 175.510 0.007 0.000 1.216 58 N CA -0.951 52.103 53.050 0.007 0.000 0.844 58 N CB 2.510 41.001 38.487 0.006 0.000 1.462 58 N HN 0.048 nan 8.380 nan 0.000 0.555 59 P HA 0.087 nan 4.420 nan 0.000 0.275 59 P C 0.160 177.465 177.300 0.008 0.000 1.228 59 P CA 0.174 63.279 63.100 0.008 0.000 0.786 59 P CB 1.198 32.903 31.700 0.008 0.000 0.927 60 V N -1.227 118.693 119.914 0.009 0.000 5.957 60 V HA -0.131 3.990 4.120 0.001 0.000 0.225 60 V C -2.561 173.538 176.094 0.008 0.000 0.661 60 V CA -0.623 61.682 62.300 0.009 0.000 0.571 60 V CB -2.632 29.196 31.823 0.009 0.000 0.361 60 V HN 0.599 nan 8.190 nan 0.000 0.495 61 P HA 0.642 nan 4.420 nan 0.000 0.290 61 P C -2.235 175.070 177.300 0.008 0.000 1.275 61 P CA -1.742 61.362 63.100 0.008 0.000 0.841 61 P CB 0.869 32.574 31.700 0.008 0.000 1.042 62 P HA -0.018 nan 4.420 nan 0.000 0.267 62 P C 0.931 178.237 177.300 0.009 0.000 1.195 62 P CA 0.102 63.207 63.100 0.008 0.000 0.773 62 P CB 0.198 31.902 31.700 0.007 0.000 0.837 63 A N 3.089 125.915 122.820 0.009 0.000 1.883 63 A HA -0.217 4.104 4.320 0.001 0.000 0.217 63 A C 2.437 180.027 177.584 0.010 0.000 1.186 63 A CA 2.590 54.633 52.037 0.010 0.000 0.624 63 A CB -1.540 17.466 19.000 0.011 0.000 0.822 63 A HN 0.555 nan 8.150 nan 0.000 0.444 64 R N -0.128 120.377 120.500 0.009 0.000 2.103 64 R HA -0.191 4.149 4.340 0.001 0.000 0.242 64 R C 1.811 178.117 176.300 0.009 0.000 1.142 64 R CA 2.162 58.267 56.100 0.009 0.000 0.960 64 R CB -1.275 29.030 30.300 0.008 0.000 0.858 64 R HN 0.690 nan 8.270 nan 0.000 0.439 65 E N -0.189 120.016 120.200 0.008 0.000 2.107 65 E HA -0.085 4.266 4.350 0.001 0.000 0.191 65 E C 2.012 178.617 176.600 0.008 0.000 0.982 65 E CA 1.383 57.787 56.400 0.008 0.000 0.809 65 E CB -0.398 29.306 29.700 0.007 0.000 0.756 65 E HN 0.521 nan 8.360 nan 0.000 0.459 66 M N 2.240 121.845 119.600 0.009 0.000 2.132 66 M HA -0.138 4.343 4.480 0.001 0.000 0.263 66 M C 0.822 177.128 176.300 0.011 0.000 1.065 66 M CA 1.921 57.227 55.300 0.010 0.000 1.122 66 M CB -0.269 32.338 32.600 0.011 0.000 1.365 66 M HN 0.011 nan 8.290 nan 0.000 0.411 67 D N -1.271 119.136 120.400 0.011 0.000 2.354 67 D HA -0.085 4.555 4.640 0.001 0.000 0.209 67 D C 1.980 178.287 176.300 0.011 0.000 1.015 67 D CA 0.573 54.580 54.000 0.011 0.000 0.867 67 D CB -0.995 39.812 40.800 0.012 0.000 0.933 67 D HN 0.531 nan 8.370 nan 0.000 0.520 68 M N -0.196 119.410 119.600 0.010 0.000 2.159 68 M HA -0.081 4.399 4.480 0.001 0.000 0.263 68 M C 1.637 177.942 176.300 0.009 0.000 1.063 68 M CA 1.090 56.395 55.300 0.009 0.000 1.110 68 M CB 0.033 32.638 32.600 0.008 0.000 1.374 68 M HN 0.172 nan 8.290 nan 0.000 0.411 69 L N 0.598 121.826 121.223 0.009 0.000 2.023 69 L HA -0.078 4.263 4.340 0.001 0.000 0.205 69 L C 2.019 178.895 176.870 0.010 0.000 1.073 69 L CA 1.772 56.617 54.840 0.009 0.000 0.745 69 L CB -0.759 41.306 42.059 0.009 0.000 0.900 69 L HN 0.351 nan 8.230 nan 0.000 0.435 70 L N -1.063 120.167 121.223 0.011 0.000 2.083 70 L HA -0.203 4.137 4.340 0.001 0.000 0.209 70 L C 2.353 179.231 176.870 0.014 0.000 1.083 70 L CA 1.688 56.536 54.840 0.013 0.000 0.752 70 L CB -1.099 40.968 42.059 0.014 0.000 0.899 70 L HN 0.327 nan 8.230 nan 0.000 0.433 71 T N 0.115 114.677 114.554 0.013 0.000 2.684 71 T HA -0.191 4.159 4.350 0.001 0.000 0.267 71 T C 2.040 176.748 174.700 0.012 0.000 1.036 71 T CA 1.407 63.515 62.100 0.014 0.000 1.148 71 T CB -0.223 68.654 68.868 0.014 0.000 0.863 71 T HN 0.463 nan 8.240 nan 0.000 0.436 72 A N 1.429 124.254 122.820 0.010 0.000 1.883 72 A HA 0.027 4.347 4.320 0.001 0.000 0.217 72 A C 2.647 180.235 177.584 0.007 0.000 1.186 72 A CA 2.040 54.081 52.037 0.007 0.000 0.624 72 A CB -1.439 17.564 19.000 0.006 0.000 0.822 72 A HN 0.525 nan 8.150 nan 0.000 0.444 73 G N -0.746 108.060 108.800 0.009 0.000 2.422 73 G HA2 -0.200 3.760 3.960 0.001 0.000 0.218 73 G HA3 -0.200 3.760 3.960 0.001 0.000 0.218 73 G C 1.434 176.342 174.900 0.012 0.000 1.146 73 G CA 0.963 46.069 45.100 0.010 0.000 0.769 73 G HN 0.670 nan 8.290 nan 0.000 0.547 74 E N -0.252 119.957 120.200 0.014 0.000 2.216 74 E HA -0.024 4.326 4.350 0.001 0.000 0.192 74 E C 2.579 179.188 176.600 0.014 0.000 0.988 74 E CA 0.205 56.615 56.400 0.018 0.000 0.834 74 E CB 0.022 29.735 29.700 0.022 0.000 0.772 74 E HN 0.217 nan 8.360 nan 0.000 0.479 75 R N 1.060 121.566 120.500 0.010 0.000 2.096 75 R HA -0.124 4.217 4.340 0.001 0.000 0.235 75 R C 2.105 178.404 176.300 -0.001 0.000 1.127 75 R CA 0.879 56.982 56.100 0.005 0.000 0.968 75 R CB -0.209 30.092 30.300 0.002 0.000 0.861 75 R HN 0.091 nan 8.270 nan 0.000 0.440 76 I N 0.400 120.970 120.570 -0.000 0.000 2.091 76 I HA -0.306 3.865 4.170 0.001 0.000 0.239 76 I C 2.249 178.362 176.117 -0.008 0.000 1.061 76 I CA 2.178 63.476 61.300 -0.004 0.000 1.317 76 I CB -1.674 36.326 38.000 -0.001 0.000 1.031 76 I HN 0.322 nan 8.210 nan 0.000 0.401 77 S N 0.385 116.083 115.700 -0.004 0.000 2.402 77 S HA -0.190 4.281 4.470 0.001 0.000 0.229 77 S C 1.803 176.394 174.600 -0.015 0.000 1.021 77 S CA 1.350 59.544 58.200 -0.010 0.000 0.974 77 S CB -1.071 62.128 63.200 -0.002 0.000 0.800 77 S HN 0.512 nan 8.310 nan 0.000 0.484 78 N N 2.105 120.802 118.700 -0.005 0.000 2.043 78 N HA -0.122 4.619 4.740 0.001 0.000 0.193 78 N C 1.951 177.450 175.510 -0.018 0.000 1.037 78 N CA 1.459 54.507 53.050 -0.004 0.000 0.851 78 N CB -0.575 37.916 38.487 0.007 0.000 1.027 78 N HN 0.518 nan 8.380 nan 0.000 0.422 79 A N 0.598 123.406 122.820 -0.020 0.000 1.908 79 A HA -0.107 4.214 4.320 0.001 0.000 0.218 79 A C 2.218 179.783 177.584 -0.031 0.000 1.181 79 A CA 1.136 53.157 52.037 -0.027 0.000 0.627 79 A CB -0.811 18.175 19.000 -0.023 0.000 0.818 79 A HN 0.362 nan 8.150 nan 0.000 0.445 80 L N -0.691 120.514 121.223 -0.031 0.000 2.072 80 L HA -0.126 4.215 4.340 0.001 0.000 0.205 80 L C 2.528 179.367 176.870 -0.051 0.000 1.079 80 L CA 0.897 55.715 54.840 -0.037 0.000 0.752 80 L CB -0.612 41.426 42.059 -0.035 0.000 0.906 80 L HN 0.233 nan 8.230 nan 0.000 0.436 81 V N 0.421 120.300 119.914 -0.059 0.000 2.287 81 V HA -0.345 3.775 4.120 0.001 0.000 0.248 81 V C 2.828 178.882 176.094 -0.066 0.000 1.053 81 V CA 1.931 64.182 62.300 -0.081 0.000 1.027 81 V CB -1.030 30.738 31.823 -0.091 0.000 0.646 81 V HN 0.499 nan 8.190 nan 0.000 0.447 82 A N -0.585 122.206 122.820 -0.048 0.000 1.908 82 A HA -0.293 4.027 4.320 0.001 0.000 0.218 82 A C 2.247 179.805 177.584 -0.043 0.000 1.181 82 A CA 2.508 54.519 52.037 -0.043 0.000 0.627 82 A CB -0.530 18.446 19.000 -0.041 0.000 0.818 82 A HN 0.519 nan 8.150 nan 0.000 0.445 83 M N -0.706 118.869 119.600 -0.042 0.000 2.117 83 M HA -0.158 4.322 4.480 0.001 0.000 0.262 83 M C 2.538 178.813 176.300 -0.042 0.000 1.065 83 M CA 1.483 56.760 55.300 -0.039 0.000 1.114 83 M CB -0.417 32.162 32.600 -0.035 0.000 1.361 83 M HN 0.503 nan 8.290 nan 0.000 0.408 84 A N 0.785 123.575 122.820 -0.051 0.000 1.855 84 A HA -0.133 4.187 4.320 0.001 0.000 0.215 84 A C 2.006 179.556 177.584 -0.056 0.000 1.191 84 A CA 1.244 53.246 52.037 -0.058 0.000 0.613 84 A CB -0.752 18.203 19.000 -0.077 0.000 0.829 84 A HN 0.358 nan 8.150 nan 0.000 0.442 85 I N 0.305 120.839 120.570 -0.061 0.000 2.143 85 I HA -0.302 3.869 4.170 0.001 0.000 0.245 85 I C 2.339 178.434 176.117 -0.038 0.000 1.068 85 I CA 2.099 63.368 61.300 -0.051 0.000 1.326 85 I CB -1.628 36.344 38.000 -0.046 0.000 1.028 85 I HN 0.479 nan 8.210 nan 0.000 0.412 86 E N 0.523 120.702 120.200 -0.036 0.000 2.072 86 E HA -0.178 4.173 4.350 0.001 0.000 0.191 86 E C 2.283 178.867 176.600 -0.027 0.000 0.985 86 E CA 1.775 58.158 56.400 -0.029 0.000 0.801 86 E CB -0.087 29.595 29.700 -0.030 0.000 0.750 86 E HN 0.586 nan 8.360 nan 0.000 0.452 87 S N 0.488 116.170 115.700 -0.030 0.000 2.402 87 S HA -0.081 4.390 4.470 0.001 0.000 0.229 87 S C 1.684 176.269 174.600 -0.026 0.000 1.021 87 S CA 0.624 58.808 58.200 -0.027 0.000 0.974 87 S CB -0.029 63.153 63.200 -0.029 0.000 0.800 87 S HN 0.109 nan 8.310 nan 0.000 0.484 88 L N 1.498 122.702 121.223 -0.030 0.000 2.627 88 L HA 0.308 4.649 4.340 0.001 0.000 0.233 88 L C 1.976 178.832 176.870 -0.023 0.000 1.144 88 L CA 1.217 56.040 54.840 -0.028 0.000 0.892 88 L CB -1.141 40.896 42.059 -0.037 0.000 1.039 88 L HN 0.719 nan 8.230 nan 0.000 0.442 89 G N -0.718 108.070 108.800 -0.021 0.000 2.313 89 G HA2 -0.238 3.722 3.960 0.001 0.000 0.215 89 G HA3 -0.238 3.722 3.960 0.001 0.000 0.215 89 G C 0.661 175.552 174.900 -0.014 0.000 1.023 89 G CA 0.054 45.144 45.100 -0.016 0.000 0.626 89 G HN 0.585 nan 8.290 nan 0.000 0.503 90 A N 0.551 123.361 122.820 -0.016 0.000 2.386 90 A HA 0.605 4.926 4.320 0.001 0.000 0.248 90 A C 0.286 177.863 177.584 -0.012 0.000 1.082 90 A CA 0.345 52.376 52.037 -0.012 0.000 0.789 90 A CB 0.266 19.259 19.000 -0.012 0.000 1.025 90 A HN 0.454 nan 8.150 nan 0.000 0.490 91 E N 0.115 120.310 120.200 -0.007 0.000 2.227 91 E HA 0.479 4.830 4.350 0.001 0.000 0.282 91 E C -0.180 176.417 176.600 -0.005 0.000 1.015 91 E CA -0.262 56.133 56.400 -0.009 0.000 0.823 91 E CB 1.467 31.164 29.700 -0.005 0.000 1.081 91 E HN 0.735 nan 8.360 nan 0.000 0.396 92 A N 3.315 126.125 122.820 -0.016 0.000 2.325 92 A HA 0.475 4.795 4.320 0.001 0.000 0.333 92 A C -0.757 176.805 177.584 -0.037 0.000 1.155 92 A CA -0.585 51.443 52.037 -0.015 0.000 0.814 92 A CB 1.507 20.492 19.000 -0.025 0.000 1.206 92 A HN 0.484 nan 8.150 nan 0.000 0.482 93 Q N 0.747 120.528 119.800 -0.032 0.000 2.292 93 Q HA 0.551 4.891 4.340 0.001 0.000 0.270 93 Q C -1.198 174.651 176.000 -0.252 0.000 1.024 93 Q CA -0.035 55.675 55.803 -0.154 0.000 0.768 93 Q CB 1.790 30.473 28.738 -0.091 0.000 1.250 93 Q HN 0.642 nan 8.270 nan 0.000 0.447 94 S N 3.634 119.101 115.700 -0.389 0.000 2.508 94 S HA 0.684 5.154 4.470 0.001 0.000 0.284 94 S C -1.061 173.201 174.600 -0.565 0.000 1.192 94 S CA -0.309 57.719 58.200 -0.286 0.000 1.070 94 S CB 0.345 63.451 63.200 -0.156 0.000 1.004 94 S HN 0.478 nan 8.310 nan 0.000 0.493 95 F N 1.736 121.683 119.950 -0.005 0.000 2.553 95 F HA 0.493 5.021 4.527 0.001 0.000 0.335 95 F C 0.728 176.526 175.800 -0.004 0.000 1.148 95 F CA -0.554 57.443 58.000 -0.005 0.000 0.963 95 F CB 1.762 40.759 39.000 -0.005 0.000 1.217 95 F HN 0.618 nan 8.300 nan 0.000 0.441 119 G N 1.183 109.930 108.800 -0.089 0.000 2.432 119 G HA2 -0.213 3.748 3.960 0.001 0.000 0.219 119 G HA3 -0.213 3.748 3.960 0.001 0.000 0.219 119 G C 1.517 176.384 174.900 -0.054 0.000 1.135 119 G CA 1.466 46.531 45.100 -0.058 0.000 0.767 119 G HN 0.400 nan 8.290 nan 0.000 0.550 120 R N 0.179 120.634 120.500 -0.075 0.000 2.090 120 R HA 0.109 4.450 4.340 0.001 0.000 0.228 120 R C 2.475 178.706 176.300 -0.115 0.000 1.110 120 R CA 0.860 56.953 56.100 -0.011 0.000 0.973 120 R CB -0.978 29.373 30.300 0.086 0.000 0.869 120 R HN 0.255 nan 8.270 nan 0.000 0.440 121 V N 1.310 120.979 119.914 -0.410 0.000 2.261 121 V HA -0.226 3.894 4.120 0.001 0.000 0.246 121 V C 2.424 178.437 176.094 -0.135 0.000 1.047 121 V CA 2.008 64.030 62.300 -0.463 0.000 1.015 121 V CB -0.517 31.020 31.823 -0.477 0.000 0.642 121 V HN 0.171 nan 8.190 nan 0.000 0.446 122 R N 0.758 121.197 120.500 -0.102 0.000 2.096 122 R HA -0.207 4.134 4.340 0.001 0.000 0.240 122 R C 2.145 178.444 176.300 -0.002 0.000 1.139 122 R CA 2.047 58.122 56.100 -0.043 0.000 0.952 122 R CB -0.622 29.654 30.300 -0.041 0.000 0.854 122 R HN 0.640 nan 8.270 nan 0.000 0.436 123 E N -0.675 119.533 120.200 0.013 0.000 2.118 123 E HA -0.212 4.138 4.350 0.001 0.000 0.195 123 E C 1.873 178.515 176.600 0.070 0.000 0.992 123 E CA 1.447 57.872 56.400 0.043 0.000 0.804 123 E CB -0.203 29.532 29.700 0.057 0.000 0.741 123 E HN 0.520 nan 8.360 nan 0.000 0.458 124 A N 0.810 123.701 122.820 0.118 0.000 1.897 124 A HA -0.103 4.217 4.320 0.001 0.000 0.215 124 A C 2.151 179.789 177.584 0.090 0.000 1.181 124 A CA 0.848 52.974 52.037 0.150 0.000 0.620 124 A CB -0.498 18.695 19.000 0.321 0.000 0.821 124 A HN 0.126 nan 8.150 nan 0.000 0.443 125 L N -0.330 120.931 121.223 0.063 0.000 2.141 125 L HA -0.167 4.173 4.340 0.001 0.000 0.209 125 L C 1.705 178.592 176.870 0.029 0.000 1.094 125 L CA 1.129 55.993 54.840 0.039 0.000 0.763 125 L CB -0.624 41.446 42.059 0.018 0.000 0.908 125 L HN 0.273 nan 8.230 nan 0.000 0.437 126 D N 0.071 120.486 120.400 0.026 0.000 2.218 126 D HA -0.079 4.562 4.640 0.001 0.000 0.204 126 D C 0.812 177.124 176.300 0.021 0.000 0.976 126 D CA 0.796 54.807 54.000 0.019 0.000 0.853 126 D CB -0.030 40.780 40.800 0.017 0.000 0.939 126 D HN 0.451 nan 8.370 nan 0.000 0.481 127 E N -0.730 119.486 120.200 0.027 0.000 2.342 127 E HA 0.424 4.775 4.350 0.001 0.000 0.257 127 E C 1.119 177.734 176.600 0.024 0.000 1.150 127 E CA -0.293 56.121 56.400 0.024 0.000 0.926 127 E CB 0.567 30.282 29.700 0.026 0.000 1.074 127 E HN -0.002 nan 8.360 nan 0.000 0.449 128 G N 1.289 110.101 108.800 0.019 0.000 3.375 128 G HA2 -0.070 3.890 3.960 0.001 0.000 0.247 128 G HA3 -0.070 3.890 3.960 0.001 0.000 0.247 128 G C -0.166 174.747 174.900 0.022 0.000 1.343 128 G CA 0.025 45.136 45.100 0.018 0.000 1.368 128 G HN 0.128 nan 8.290 nan 0.000 0.549 129 K N 0.676 121.096 120.400 0.033 0.000 2.227 129 K HA 0.319 4.640 4.320 0.001 0.000 0.280 129 K C -0.030 176.602 176.600 0.053 0.000 1.041 129 K CA -0.488 55.824 56.287 0.041 0.000 0.905 129 K CB 1.960 34.493 32.500 0.055 0.000 1.068 129 K HN 0.113 nan 8.250 nan 0.000 0.470 130 I N 3.617 124.213 120.570 0.043 0.000 2.436 130 I HA 0.021 4.192 4.170 0.001 0.000 0.289 130 I C 0.130 176.298 176.117 0.084 0.000 1.083 130 I CA -0.488 60.842 61.300 0.050 0.000 1.372 130 I CB 0.420 38.436 38.000 0.027 0.000 1.408 130 I HN 0.520 nan 8.210 nan 0.000 0.516 131 C N 7.622 126.995 119.300 0.122 0.000 2.388 131 C HA 0.542 5.003 4.460 0.001 0.000 0.362 131 C C 0.367 175.470 174.990 0.187 0.000 1.266 131 C CA -0.494 58.662 59.018 0.229 0.000 2.028 131 C CB -0.071 27.815 27.740 0.243 0.000 2.440 131 C HN 0.542 nan 8.230 nan 0.000 0.547 132 I N 3.423 124.136 120.570 0.238 0.000 2.447 132 I HA 0.539 4.709 4.170 0.001 0.000 0.287 132 I C -0.428 175.811 176.117 0.204 0.000 1.023 132 I CA -0.244 61.149 61.300 0.155 0.000 1.083 132 I CB 1.417 39.460 38.000 0.072 0.000 1.245 132 I HN 0.354 nan 8.210 nan 0.000 0.434 133 V N 5.350 125.352 119.914 0.148 0.000 2.962 133 V HA 0.666 4.787 4.120 0.001 0.000 0.313 133 V C 0.663 176.805 176.094 0.081 0.000 1.099 133 V CA -0.136 62.246 62.300 0.137 0.000 0.971 133 V CB 2.132 34.010 31.823 0.093 0.000 1.028 133 V HN 0.873 nan 8.190 nan 0.000 0.430 134 A N 4.088 126.951 122.820 0.071 0.000 1.832 134 A HA 0.504 4.824 4.320 0.001 0.000 0.214 134 A C 1.516 179.120 177.584 0.033 0.000 1.200 134 A CA 1.571 53.636 52.037 0.047 0.000 0.610 134 A CB -1.309 17.716 19.000 0.042 0.000 0.842 134 A HN 2.711 nan 8.150 nan 0.000 0.444 155 D N 1.980 122.364 120.400 -0.027 0.000 2.097 155 D HA -0.035 4.606 4.640 0.001 0.000 0.195 155 D C 2.214 178.465 176.300 -0.081 0.000 0.989 155 D CA 2.297 56.275 54.000 -0.036 0.000 0.827 155 D CB -0.657 40.130 40.800 -0.021 0.000 0.966 155 D HN 0.681 nan 8.370 nan 0.000 0.456 156 T N -1.853 112.630 114.554 -0.118 0.000 2.915 156 T HA -0.151 4.200 4.350 0.001 0.000 0.269 156 T C 1.993 176.508 174.700 -0.308 0.000 1.071 156 T CA 1.946 63.897 62.100 -0.248 0.000 1.132 156 T CB -0.554 68.159 68.868 -0.259 0.000 0.878 156 T HN 0.204 nan 8.240 nan 0.000 0.479 157 T N -0.031 114.416 114.554 -0.179 0.000 2.937 157 T HA 0.324 4.675 4.350 0.001 0.000 0.260 157 T C 2.337 176.969 174.700 -0.115 0.000 1.051 157 T CA 1.012 63.024 62.100 -0.146 0.000 1.141 157 T CB -0.771 68.048 68.868 -0.082 0.000 0.879 157 T HN 0.470 nan 8.240 nan 0.000 0.459 158 A N 1.273 124.044 122.820 -0.081 0.000 1.873 158 A HA -0.011 4.310 4.320 0.001 0.000 0.218 158 A C 2.609 180.154 177.584 -0.066 0.000 1.193 158 A CA 2.171 54.176 52.037 -0.052 0.000 0.629 158 A CB -1.263 17.721 19.000 -0.026 0.000 0.826 158 A HN 0.467 nan 8.150 nan 0.000 0.447 159 V N -0.282 119.581 119.914 -0.085 0.000 2.626 159 V HA -0.177 3.944 4.120 0.001 0.000 0.252 159 V C 2.966 179.013 176.094 -0.079 0.000 1.067 159 V CA 1.642 63.906 62.300 -0.060 0.000 1.081 159 V CB -1.223 30.575 31.823 -0.041 0.000 0.686 159 V HN 0.641 nan 8.190 nan 0.000 0.468 160 A N 0.159 122.877 122.820 -0.170 0.000 1.877 160 A HA -0.160 4.161 4.320 0.001 0.000 0.216 160 A C 2.083 179.586 177.584 -0.135 0.000 1.186 160 A CA 1.756 53.707 52.037 -0.143 0.000 0.620 160 A CB -0.548 18.338 19.000 -0.189 0.000 0.822 160 A HN 0.410 nan 8.150 nan 0.000 0.443 161 L N -0.292 120.860 121.223 -0.119 0.000 2.046 161 L HA -0.114 4.227 4.340 0.001 0.000 0.208 161 L C 2.966 179.771 176.870 -0.107 0.000 1.077 161 L CA 1.868 56.639 54.840 -0.115 0.000 0.747 161 L CB -1.081 40.918 42.059 -0.099 0.000 0.896 161 L HN 0.402 nan 8.230 nan 0.000 0.432 162 A N -0.937 121.836 122.820 -0.079 0.000 2.019 162 A HA -0.086 4.235 4.320 0.001 0.000 0.219 162 A C 2.456 179.995 177.584 -0.074 0.000 1.164 162 A CA 1.692 53.698 52.037 -0.052 0.000 0.644 162 A CB -0.666 18.327 19.000 -0.012 0.000 0.805 162 A HN 0.391 nan 8.150 nan 0.000 0.449 163 A N -0.270 122.464 122.820 -0.142 0.000 1.861 163 A HA 0.334 4.654 4.320 0.001 0.000 0.212 163 A C 2.511 179.880 177.584 -0.359 0.000 1.199 163 A CA 1.571 53.436 52.037 -0.286 0.000 0.613 163 A CB -1.115 17.518 19.000 -0.612 0.000 0.846 163 A HN 1.009 nan 8.150 nan 0.000 0.446 164 A N -0.140 122.474 122.820 -0.344 0.000 1.892 164 A HA -0.130 4.190 4.320 0.001 0.000 0.218 164 A C 2.014 179.506 177.584 -0.154 0.000 1.188 164 A CA 1.750 53.639 52.037 -0.247 0.000 0.631 164 A CB -0.655 18.232 19.000 -0.187 0.000 0.822 164 A HN 0.466 nan 8.150 nan 0.000 0.447 165 L N -1.232 119.915 121.223 -0.126 0.000 2.591 165 L HA 0.127 4.467 4.340 0.001 0.000 0.228 165 L C 1.496 178.332 176.870 -0.057 0.000 1.133 165 L CA 0.523 55.312 54.840 -0.084 0.000 0.880 165 L CB -0.993 41.019 42.059 -0.079 0.000 1.033 165 L HN 0.743 nan 8.230 nan 0.000 0.450 166 N N 0.066 118.730 118.700 -0.059 0.000 2.740 166 N HA -0.163 4.577 4.740 0.001 0.000 0.248 166 N C 0.472 175.981 175.510 -0.002 0.000 1.062 166 N CA 0.521 53.559 53.050 -0.019 0.000 0.704 166 N CB -1.962 36.521 38.487 -0.008 0.000 0.968 166 N HN 0.479 nan 8.380 nan 0.000 0.547 167 A N -0.861 121.956 122.820 -0.005 0.000 2.429 167 A HA 0.437 4.757 4.320 0.001 0.000 0.242 167 A C 1.219 178.821 177.584 0.030 0.000 1.088 167 A CA 0.678 52.720 52.037 0.009 0.000 0.784 167 A CB 0.355 19.358 19.000 0.006 0.000 1.038 167 A HN 0.568 nan 8.150 nan 0.000 0.501 168 D N -1.299 119.119 120.400 0.031 0.000 2.240 168 D HA 0.132 4.773 4.640 0.001 0.000 0.206 168 D C 0.010 176.338 176.300 0.048 0.000 0.963 168 D CA 1.553 55.576 54.000 0.039 0.000 0.863 168 D CB 0.650 41.468 40.800 0.030 0.000 0.973 168 D HN 0.281 nan 8.370 nan 0.000 0.501 169 V N 0.302 120.243 119.914 0.045 0.000 2.950 169 V HA 0.212 4.333 4.120 0.001 0.000 0.295 169 V C -1.798 174.321 176.094 0.042 0.000 1.297 169 V CA -0.994 61.334 62.300 0.048 0.000 0.962 169 V CB 1.858 33.700 31.823 0.032 0.000 1.081 169 V HN 0.151 nan 8.190 nan 0.000 0.432 170 C N 6.553 125.880 119.300 0.045 0.000 2.255 170 C HA 0.670 5.131 4.460 0.001 0.000 0.326 170 C C 0.082 175.075 174.990 0.005 0.000 1.258 170 C CA -0.276 58.760 59.018 0.030 0.000 1.676 170 C CB -0.174 27.583 27.740 0.029 0.000 2.314 170 C HN 0.934 nan 8.230 nan 0.000 0.509 171 E N 4.984 125.181 120.200 -0.005 0.000 2.174 171 E HA 0.382 4.732 4.350 0.001 0.000 0.282 171 E C -0.961 175.565 176.600 -0.124 0.000 0.992 171 E CA -0.405 55.937 56.400 -0.096 0.000 0.803 171 E CB 1.522 31.179 29.700 -0.073 0.000 1.090 171 E HN 0.573 nan 8.360 nan 0.000 0.396 172 I N 3.589 124.043 120.570 -0.194 0.000 2.306 172 I HA 0.128 4.299 4.170 0.001 0.000 0.288 172 I C -0.823 175.147 176.117 -0.245 0.000 1.036 172 I CA -0.243 60.968 61.300 -0.147 0.000 1.221 172 I CB 0.015 37.970 38.000 -0.075 0.000 1.385 172 I HN 0.414 nan 8.210 nan 0.000 0.472 173 Y N 5.344 125.478 120.300 -0.276 0.000 2.313 173 Y HA 0.559 5.109 4.550 0.000 0.000 0.332 173 Y C 0.980 176.824 175.900 -0.093 0.000 1.071 173 Y CA 0.170 58.123 58.100 -0.244 0.000 1.169 173 Y CB 1.380 39.508 38.460 -0.552 0.000 1.192 173 Y HN 0.697 nan 8.280 nan 0.000 0.487 174 S N 0.181 115.964 115.700 0.139 0.000 3.576 174 S HA 0.187 4.658 4.470 0.001 0.000 0.321 174 S C 0.063 174.818 174.600 0.258 0.000 1.174 174 S CA -0.154 58.152 58.200 0.177 0.000 1.102 174 S CB 0.739 64.004 63.200 0.108 0.000 1.467 174 S HN 0.578 nan 8.310 nan 0.000 0.701 175 D N 0.434 120.969 120.400 0.224 0.000 2.366 175 D HA 0.130 4.770 4.640 0.001 0.000 0.205 175 D C 0.800 177.174 176.300 0.122 0.000 1.022 175 D CA 0.195 54.325 54.000 0.217 0.000 0.868 175 D CB -0.009 40.847 40.800 0.093 0.000 0.953 175 D HN 0.339 nan 8.370 nan 0.000 0.514 176 V N 3.052 123.025 119.914 0.099 0.000 2.488 176 V HA 0.072 4.192 4.120 0.001 0.000 0.277 176 V C 0.441 176.599 176.094 0.108 0.000 1.046 176 V CA -0.259 62.093 62.300 0.088 0.000 0.986 176 V CB 1.277 33.144 31.823 0.074 0.000 0.989 176 V HN 0.013 nan 8.190 nan 0.000 0.475 177 D N 4.407 124.895 120.400 0.147 0.000 2.340 177 D HA 0.328 4.968 4.640 0.001 0.000 0.220 177 D C 0.521 176.874 176.300 0.088 0.000 1.039 177 D CA 0.931 55.004 54.000 0.122 0.000 0.866 177 D CB 0.521 41.405 40.800 0.139 0.000 0.913 177 D HN 0.858 nan 8.370 nan 0.000 0.523 178 G N -1.059 107.830 108.800 0.148 0.000 2.340 178 G HA2 0.382 4.343 3.960 0.001 0.000 0.299 178 G HA3 0.382 4.343 3.960 0.001 0.000 0.299 178 G C -1.909 173.055 174.900 0.106 0.000 1.291 178 G CA -0.290 44.822 45.100 0.021 0.000 0.841 178 G HN 0.325 nan 8.290 nan 0.000 0.500 179 V N 0.025 119.935 119.914 -0.006 0.000 2.435 179 V HA 0.829 4.949 4.120 0.001 0.000 0.290 179 V C -1.102 174.989 176.094 -0.004 0.000 1.030 179 V CA -0.763 61.583 62.300 0.077 0.000 0.881 179 V CB 0.615 32.458 31.823 0.032 0.000 0.983 179 V HN 0.660 nan 8.190 nan 0.000 0.445 180 Y N 2.920 123.216 120.300 -0.006 0.000 2.568 180 Y HA 0.389 4.940 4.550 0.002 0.000 0.327 180 Y C 1.907 177.810 175.900 0.004 0.000 1.163 180 Y CA 0.037 58.135 58.100 -0.003 0.000 1.219 180 Y CB 2.161 40.611 38.460 -0.017 0.000 1.308 180 Y HN 0.764 nan 8.280 nan 0.000 0.503 181 T N -1.522 113.136 114.554 0.173 0.000 2.962 181 T HA 0.326 4.677 4.350 0.001 0.000 0.270 181 T C 0.486 175.240 174.700 0.090 0.000 1.088 181 T CA 0.887 63.080 62.100 0.154 0.000 1.127 181 T CB -0.136 68.903 68.868 0.285 0.000 0.883 181 T HN 0.659 nan 8.240 nan 0.000 0.493 182 A N 0.356 123.178 122.820 0.004 0.000 2.515 182 A HA 0.535 4.856 4.320 0.001 0.000 0.299 182 A C -1.588 175.963 177.584 -0.055 0.000 1.179 182 A CA -0.723 51.272 52.037 -0.069 0.000 0.656 182 A CB 0.423 19.276 19.000 -0.245 0.000 1.306 182 A HN 0.126 nan 8.150 nan 0.000 0.459 183 D N 0.386 120.740 120.400 -0.077 0.000 2.382 183 D HA 0.276 4.917 4.640 0.001 0.000 0.259 183 D C -1.605 174.610 176.300 -0.141 0.000 1.224 183 D CA -1.306 52.633 54.000 -0.100 0.000 0.894 183 D CB 1.156 41.911 40.800 -0.075 0.000 1.127 183 D HN 0.054 nan 8.370 nan 0.000 0.487 184 P HA -0.130 nan 4.420 nan 0.000 0.220 184 P C 1.362 178.583 177.300 -0.133 0.000 1.148 184 P CA 1.488 64.475 63.100 -0.187 0.000 0.803 184 P CB 0.164 31.684 31.700 -0.300 0.000 0.782 185 R N 0.124 120.550 120.500 -0.124 0.000 2.081 185 R HA -0.117 4.224 4.340 0.001 0.000 0.235 185 R C 2.009 178.266 176.300 -0.071 0.000 1.131 185 R CA 1.797 57.844 56.100 -0.088 0.000 0.960 185 R CB -2.063 28.190 30.300 -0.078 0.000 0.856 185 R HN 0.148 nan 8.270 nan 0.000 0.436 186 I N 0.445 120.970 120.570 -0.074 0.000 2.270 186 I HA 0.050 4.221 4.170 0.001 0.000 0.239 186 I C 0.777 176.852 176.117 -0.070 0.000 1.080 186 I CA 0.701 61.964 61.300 -0.062 0.000 1.383 186 I CB -0.833 37.133 38.000 -0.056 0.000 1.097 186 I HN 0.041 nan 8.210 nan 0.000 0.420 187 V N 4.296 124.147 119.914 -0.105 0.000 2.348 187 V HA 0.164 4.285 4.120 0.001 0.000 0.270 187 V C -1.203 174.823 176.094 -0.113 0.000 1.037 187 V CA -0.995 61.225 62.300 -0.133 0.000 0.872 187 V CB 1.114 32.767 31.823 -0.284 0.000 1.002 187 V HN 0.137 nan 8.190 nan 0.000 0.464 188 P HA -0.109 nan 4.420 nan 0.000 0.215 188 P C 0.853 178.152 177.300 -0.003 0.000 1.157 188 P CA 1.150 64.231 63.100 -0.031 0.000 0.859 188 P CB 0.097 31.790 31.700 -0.012 0.000 0.786 189 N N -0.178 118.544 118.700 0.037 0.000 2.413 189 N HA 0.132 4.873 4.740 0.001 0.000 0.207 189 N C 0.220 175.818 175.510 0.146 0.000 1.206 189 N CA -0.316 52.788 53.050 0.090 0.000 0.832 189 N CB -0.109 38.444 38.487 0.109 0.000 1.037 189 N HN -0.048 nan 8.380 nan 0.000 0.467 190 A N 1.099 123.953 122.820 0.056 0.000 2.540 190 A HA 0.063 4.383 4.320 0.001 0.000 0.239 190 A C 0.310 178.038 177.584 0.240 0.000 1.061 190 A CA 0.066 52.148 52.037 0.076 0.000 0.758 190 A CB 0.384 19.357 19.000 -0.045 0.000 0.991 190 A HN 0.386 nan 8.150 nan 0.000 0.502 191 Q N 0.802 120.745 119.800 0.238 0.000 2.248 191 Q HA 0.339 4.679 4.340 0.001 0.000 0.263 191 Q C -0.519 175.430 176.000 -0.086 0.000 1.007 191 Q CA -0.731 55.154 55.803 0.137 0.000 0.877 191 Q CB 1.730 30.511 28.738 0.072 0.000 1.315 191 Q HN 0.727 nan 8.270 nan 0.000 0.454 192 K N 1.744 121.926 120.400 -0.363 0.000 2.316 192 K HA 0.212 4.532 4.320 0.001 0.000 0.289 192 K C -0.638 175.739 176.600 -0.372 0.000 1.070 192 K CA -0.364 55.441 56.287 -0.805 0.000 0.928 192 K CB 0.205 32.295 32.500 -0.683 0.000 1.039 192 K HN 0.360 nan 8.250 nan 0.000 0.480 193 L N 4.187 125.220 121.223 -0.316 0.000 2.490 193 L HA -0.013 4.327 4.340 0.001 0.000 0.274 193 L C 1.424 178.204 176.870 -0.150 0.000 1.201 193 L CA 0.405 55.147 54.840 -0.165 0.000 0.869 193 L CB 0.841 42.831 42.059 -0.115 0.000 1.123 193 L HN 0.753 nan 8.230 nan 0.000 0.484 194 E N 2.492 122.629 120.200 -0.107 0.000 2.051 194 E HA -0.034 4.317 4.350 0.001 0.000 0.189 194 E C -0.140 176.407 176.600 -0.088 0.000 0.979 194 E CA 1.203 57.548 56.400 -0.091 0.000 0.803 194 E CB 0.322 29.980 29.700 -0.069 0.000 0.761 194 E HN 0.600 nan 8.360 nan 0.000 0.451 195 K N -1.263 119.086 120.400 -0.085 0.000 2.579 195 K HA 0.471 4.792 4.320 0.001 0.000 0.284 195 K C -1.546 175.002 176.600 -0.087 0.000 0.990 195 K CA -1.033 55.199 56.287 -0.092 0.000 0.880 195 K CB 1.290 33.730 32.500 -0.100 0.000 1.488 195 K HN -0.036 nan 8.250 nan 0.000 0.425 196 L N -1.694 119.469 121.223 -0.100 0.000 2.409 196 L HA 0.608 4.949 4.340 0.001 0.000 0.255 196 L C -0.115 176.675 176.870 -0.135 0.000 1.027 196 L CA -1.041 53.745 54.840 -0.090 0.000 0.834 196 L CB 0.544 42.569 42.059 -0.056 0.000 1.426 196 L HN 0.902 nan 8.230 nan 0.000 0.411 197 S N -0.772 114.862 115.700 -0.110 0.000 2.614 197 S HA 0.443 4.914 4.470 0.001 0.000 0.265 197 S C 0.972 175.523 174.600 -0.082 0.000 1.303 197 S CA -0.226 57.889 58.200 -0.142 0.000 1.000 197 S CB 0.159 63.324 63.200 -0.059 0.000 0.935 197 S HN 0.424 nan 8.310 nan 0.000 0.551 198 F N 1.960 121.906 119.950 -0.006 0.000 2.091 198 F HA -0.096 4.431 4.527 0.001 0.000 0.299 198 F C 2.681 178.478 175.800 -0.004 0.000 1.103 198 F CA 1.917 59.915 58.000 -0.002 0.000 1.228 198 F CB -0.637 38.363 39.000 -0.001 0.000 0.984 198 F HN 0.743 nan 8.300 nan 0.000 0.477 199 E N 0.234 120.549 120.200 0.191 0.000 2.285 199 E HA -0.140 4.211 4.350 0.001 0.000 0.194 199 E C 1.713 178.348 176.600 0.058 0.000 0.997 199 E CA 0.899 57.359 56.400 0.100 0.000 0.845 199 E CB -0.755 28.985 29.700 0.067 0.000 0.782 199 E HN 0.498 nan 8.360 nan 0.000 0.491 200 E N 0.449 120.674 120.200 0.043 0.000 2.077 200 E HA -0.144 4.207 4.350 0.001 0.000 0.193 200 E C 1.945 178.563 176.600 0.031 0.000 0.989 200 E CA 1.391 57.803 56.400 0.020 0.000 0.800 200 E CB -0.138 29.561 29.700 -0.002 0.000 0.746 200 E HN 0.107 nan 8.360 nan 0.000 0.452 201 M N 0.508 120.137 119.600 0.049 0.000 2.132 201 M HA -0.103 4.377 4.480 0.001 0.000 0.263 201 M C 1.753 178.091 176.300 0.063 0.000 1.065 201 M CA 1.144 56.478 55.300 0.057 0.000 1.122 201 M CB -0.084 32.563 32.600 0.080 0.000 1.365 201 M HN 0.047 nan 8.290 nan 0.000 0.411 202 L N 0.124 121.391 121.223 0.074 0.000 2.043 202 L HA -0.199 4.141 4.340 0.001 0.000 0.212 202 L C 2.371 179.264 176.870 0.037 0.000 1.075 202 L CA 1.929 56.802 54.840 0.055 0.000 0.752 202 L CB -1.558 40.530 42.059 0.050 0.000 0.891 202 L HN 0.387 nan 8.230 nan 0.000 0.432 203 E N -0.866 119.353 120.200 0.032 0.000 2.112 203 E HA -0.087 4.264 4.350 0.001 0.000 0.190 203 E C 2.350 178.965 176.600 0.025 0.000 0.979 203 E CA 0.478 56.890 56.400 0.021 0.000 0.814 203 E CB -0.077 29.630 29.700 0.012 0.000 0.762 203 E HN 0.357 nan 8.360 nan 0.000 0.460 204 L N -0.225 121.015 121.223 0.029 0.000 2.083 204 L HA -0.122 4.219 4.340 0.001 0.000 0.209 204 L C 2.251 179.142 176.870 0.035 0.000 1.083 204 L CA 1.134 55.994 54.840 0.033 0.000 0.752 204 L CB -0.327 41.753 42.059 0.035 0.000 0.899 204 L HN 0.194 nan 8.230 nan 0.000 0.433 205 A N -0.579 122.263 122.820 0.037 0.000 2.067 205 A HA 0.034 4.354 4.320 0.001 0.000 0.217 205 A C 2.383 179.987 177.584 0.033 0.000 1.156 205 A CA 1.232 53.291 52.037 0.037 0.000 0.683 205 A CB -0.372 18.652 19.000 0.041 0.000 0.808 205 A HN 0.379 nan 8.150 nan 0.000 0.455 206 A N -0.361 122.477 122.820 0.030 0.000 2.021 206 A HA 0.210 4.530 4.320 0.001 0.000 0.216 206 A C 1.785 179.386 177.584 0.027 0.000 1.163 206 A CA 1.523 53.576 52.037 0.026 0.000 0.676 206 A CB -0.427 18.585 19.000 0.020 0.000 0.818 206 A HN 1.161 nan 8.150 nan 0.000 0.453 207 V N -5.162 114.770 119.914 0.029 0.000 3.380 207 V HA 0.684 4.804 4.120 0.001 0.000 0.307 207 V C 0.803 176.918 176.094 0.035 0.000 1.434 207 V CA 0.871 63.191 62.300 0.032 0.000 1.075 207 V CB -0.125 31.718 31.823 0.032 0.000 0.954 207 V HN 0.684 nan 8.190 nan 0.000 0.444 208 G N 0.096 108.916 108.800 0.033 0.000 4.316 208 G HA2 -0.007 3.953 3.960 0.001 0.000 0.196 208 G HA3 -0.007 3.953 3.960 0.001 0.000 0.196 208 G C 0.304 175.222 174.900 0.029 0.000 1.059 208 G CA 0.365 45.483 45.100 0.031 0.000 0.917 208 G HN 0.576 nan 8.290 nan 0.000 0.309 209 S N 1.794 117.513 115.700 0.032 0.000 2.546 209 S HA 0.436 4.907 4.470 0.001 0.000 0.290 209 S C 1.178 175.797 174.600 0.031 0.000 1.262 209 S CA 1.350 59.570 58.200 0.033 0.000 1.083 209 S CB 0.913 64.136 63.200 0.039 0.000 0.859 209 S HN 1.124 nan 8.310 nan 0.000 0.495 210 K N 5.556 125.972 120.400 0.027 0.000 2.437 210 K HA 0.276 4.596 4.320 0.001 0.000 0.205 210 K C 1.240 177.857 176.600 0.028 0.000 1.026 210 K CA -0.037 56.266 56.287 0.027 0.000 1.153 210 K CB -0.422 32.091 32.500 0.023 0.000 0.863 210 K HN 0.727 nan 8.250 nan 0.000 0.502 211 I N 0.193 120.782 120.570 0.032 0.000 2.086 211 I HA -0.013 4.157 4.170 0.001 0.000 0.233 211 I C 1.071 177.206 176.117 0.029 0.000 1.060 211 I CA 0.638 61.958 61.300 0.033 0.000 1.326 211 I CB -0.677 37.348 38.000 0.040 0.000 1.067 211 I HN 0.260 nan 8.210 nan 0.000 0.398 212 L N 0.426 121.667 121.223 0.029 0.000 2.439 212 L HA 0.243 4.583 4.340 0.001 0.000 0.259 212 L C -0.006 176.881 176.870 0.028 0.000 1.129 212 L CA -0.409 54.447 54.840 0.026 0.000 0.803 212 L CB 1.106 43.184 42.059 0.032 0.000 1.161 212 L HN 0.084 nan 8.230 nan 0.000 0.462 213 V N 2.322 122.250 119.914 0.023 0.000 2.461 213 V HA 0.218 4.339 4.120 0.001 0.000 0.275 213 V C 1.327 177.441 176.094 0.033 0.000 1.047 213 V CA -0.316 61.999 62.300 0.024 0.000 0.955 213 V CB 0.657 32.488 31.823 0.014 0.000 0.988 213 V HN 0.828 nan 8.190 nan 0.000 0.471 214 L N 4.047 125.293 121.223 0.038 0.000 2.010 214 L HA -0.275 4.065 4.340 0.001 0.000 0.219 214 L C 3.220 180.127 176.870 0.062 0.000 1.077 214 L CA 2.877 57.744 54.840 0.046 0.000 0.773 214 L CB -0.402 41.681 42.059 0.041 0.000 0.892 214 L HN 1.001 nan 8.230 nan 0.000 0.436 215 R N -0.285 120.256 120.500 0.068 0.000 2.105 215 R HA -0.195 4.145 4.340 0.001 0.000 0.239 215 R C 2.315 178.703 176.300 0.146 0.000 1.135 215 R CA 1.915 58.087 56.100 0.121 0.000 0.967 215 R CB -1.974 28.390 30.300 0.107 0.000 0.861 215 R HN 0.781 nan 8.270 nan 0.000 0.442 216 S N 0.205 115.930 115.700 0.042 0.000 2.368 216 S HA -0.121 4.349 4.470 0.001 0.000 0.225 216 S C 2.127 176.775 174.600 0.081 0.000 1.030 216 S CA 1.531 59.729 58.200 -0.002 0.000 0.999 216 S CB -0.458 62.725 63.200 -0.029 0.000 0.844 216 S HN 0.336 nan 8.310 nan 0.000 0.459 217 V N 2.549 122.512 119.914 0.082 0.000 2.667 217 V HA 0.015 4.136 4.120 0.001 0.000 0.252 217 V C 3.272 179.398 176.094 0.053 0.000 1.065 217 V CA 1.894 64.244 62.300 0.083 0.000 1.083 217 V CB -1.758 30.121 31.823 0.093 0.000 0.692 217 V HN 0.810 nan 8.190 nan 0.000 0.468 218 E N -0.724 119.533 120.200 0.094 0.000 2.110 218 E HA -0.280 4.071 4.350 0.001 0.000 0.193 218 E C 1.839 178.450 176.600 0.018 0.000 0.988 218 E CA 1.711 58.139 56.400 0.047 0.000 0.804 218 E CB -0.883 28.861 29.700 0.074 0.000 0.745 218 E HN 0.819 nan 8.360 nan 0.000 0.458 219 Y N 0.007 120.280 120.300 -0.045 0.000 2.286 219 Y HA 0.160 4.711 4.550 0.001 0.000 0.293 219 Y C 3.087 178.963 175.900 -0.039 0.000 1.124 219 Y CA 0.665 58.783 58.100 0.031 0.000 1.178 219 Y CB 0.014 38.562 38.460 0.146 0.000 1.010 219 Y HN 0.364 nan 8.280 nan 0.000 0.536 220 A N 1.271 124.104 122.820 0.022 0.000 1.908 220 A HA -0.270 4.050 4.320 0.001 0.000 0.218 220 A C 2.212 179.235 177.584 -0.935 0.000 1.181 220 A CA 2.217 54.106 52.037 -0.248 0.000 0.627 220 A CB -0.698 18.238 19.000 -0.106 0.000 0.818 220 A HN 0.583 nan 8.150 nan 0.000 0.445 221 R N -0.519 119.396 120.500 -0.975 0.000 2.073 221 R HA 0.176 4.517 4.340 0.001 0.000 0.229 221 R C 2.204 178.183 176.300 -0.536 0.000 1.120 221 R CA 1.459 56.927 56.100 -1.054 0.000 0.967 221 R CB -0.721 29.308 30.300 -0.451 0.000 0.862 221 R HN 0.270 nan 8.270 nan 0.000 0.436 222 A N 1.363 123.911 122.820 -0.452 0.000 1.865 222 A HA -0.042 4.279 4.320 0.001 0.000 0.217 222 A C 0.398 177.603 177.584 -0.632 0.000 1.191 222 A CA 0.901 52.598 52.037 -0.566 0.000 0.623 222 A CB -0.582 17.956 19.000 -0.769 0.000 0.826 222 A HN 0.342 nan 8.150 nan 0.000 0.444 223 F N 0.158 120.012 119.950 -0.161 0.000 2.385 223 F HA 0.287 4.815 4.527 0.001 0.000 0.360 223 F C 0.646 176.379 175.800 -0.112 0.000 1.122 223 F CA -1.023 56.920 58.000 -0.095 0.000 1.090 223 F CB 0.388 39.362 39.000 -0.043 0.000 1.150 223 F HN 0.198 nan 8.300 nan 0.000 0.472 224 N N 3.460 122.215 118.700 0.091 0.000 2.526 224 N HA 0.011 4.751 4.740 0.001 0.000 0.302 224 N C -1.102 174.541 175.510 0.223 0.000 1.232 224 N CA 0.002 53.138 53.050 0.143 0.000 1.127 224 N CB 0.164 38.749 38.487 0.163 0.000 1.476 224 N HN 0.318 nan 8.380 nan 0.000 0.498 225 V N 4.413 124.456 119.914 0.215 0.000 2.284 225 V HA 0.278 4.398 4.120 0.001 0.000 0.274 225 V C -2.053 174.289 176.094 0.413 0.000 1.023 225 V CA -1.707 60.735 62.300 0.236 0.000 0.808 225 V CB 1.283 33.192 31.823 0.143 0.000 1.035 225 V HN 0.436 nan 8.190 nan 0.000 0.445 226 P HA 0.126 nan 4.420 nan 0.000 0.265 226 P C -0.571 176.835 177.300 0.177 0.000 1.187 226 P CA 0.444 63.677 63.100 0.222 0.000 0.766 226 P CB 0.571 32.313 31.700 0.071 0.000 0.820 227 L N 3.598 124.911 121.223 0.151 0.000 2.333 227 L HA 0.587 4.928 4.340 0.001 0.000 0.269 227 L C 0.687 177.556 176.870 -0.000 0.000 1.010 227 L CA -0.768 54.122 54.840 0.082 0.000 0.818 227 L CB 1.967 44.096 42.059 0.117 0.000 1.306 227 L HN 0.229 nan 8.230 nan 0.000 0.430 228 R N 1.056 121.528 120.500 -0.047 0.000 2.532 228 R HA 0.512 4.853 4.340 0.001 0.000 0.297 228 R C -1.392 174.817 176.300 -0.151 0.000 0.984 228 R CA -0.688 55.352 56.100 -0.101 0.000 0.884 228 R CB 2.474 32.701 30.300 -0.123 0.000 1.182 228 R HN 0.309 nan 8.270 nan 0.000 0.442 229 V N 4.911 124.751 119.914 -0.124 0.000 2.408 229 V HA 0.405 4.526 4.120 0.001 0.000 0.267 229 V C 0.280 176.271 176.094 -0.172 0.000 1.047 229 V CA -0.215 62.009 62.300 -0.126 0.000 0.937 229 V CB 0.822 32.613 31.823 -0.053 0.000 0.999 229 V HN 0.650 nan 8.190 nan 0.000 0.472 230 R N 2.662 122.992 120.500 -0.283 0.000 2.771 230 R HA 0.562 4.902 4.340 0.001 0.000 0.274 230 R C -0.554 175.654 176.300 -0.152 0.000 0.987 230 R CA -0.629 55.290 56.100 -0.302 0.000 0.908 230 R CB 2.149 32.069 30.300 -0.635 0.000 1.213 230 R HN 0.633 nan 8.270 nan 0.000 0.468 231 S N 0.228 115.942 115.700 0.023 0.000 2.523 231 S HA 0.048 4.519 4.470 0.001 0.000 0.275 231 S C 0.921 175.706 174.600 0.309 0.000 1.281 231 S CA -0.544 57.770 58.200 0.190 0.000 1.050 231 S CB 0.800 64.123 63.200 0.206 0.000 0.937 231 S HN 0.677 nan 8.310 nan 0.000 0.492 232 S N 4.020 119.925 115.700 0.341 0.000 2.603 232 S HA 0.099 4.570 4.470 0.001 0.000 0.220 232 S C 0.480 174.974 174.600 -0.177 0.000 0.967 232 S CA 0.047 58.347 58.200 0.166 0.000 0.920 232 S CB -0.473 62.768 63.200 0.070 0.000 0.773 232 S HN 0.850 nan 8.310 nan 0.000 0.529 233 Y N 2.328 122.713 120.300 0.143 0.000 2.445 233 Y HA 0.379 4.929 4.550 0.001 0.000 0.247 233 Y C 1.129 177.079 175.900 0.083 0.000 1.129 233 Y CA -0.330 57.826 58.100 0.094 0.000 1.251 233 Y CB 0.336 38.840 38.460 0.073 0.000 1.176 233 Y HN 0.424 nan 8.280 nan 0.000 0.522 234 S N -1.268 114.562 115.700 0.217 0.000 2.627 234 S HA 0.368 4.838 4.470 0.001 0.000 0.283 234 S C -0.181 174.499 174.600 0.133 0.000 1.127 234 S CA -0.928 57.363 58.200 0.152 0.000 0.863 234 S CB 1.457 64.740 63.200 0.138 0.000 1.121 234 S HN 0.065 nan 8.310 nan 0.000 0.479 235 N N 1.322 120.082 118.700 0.100 0.000 2.313 235 N HA 0.126 4.867 4.740 0.001 0.000 0.207 235 N C -0.433 175.122 175.510 0.075 0.000 1.141 235 N CA 0.005 53.110 53.050 0.092 0.000 0.830 235 N CB -0.177 38.352 38.487 0.070 0.000 1.008 235 N HN 0.745 nan 8.380 nan 0.000 0.481 236 D N 1.670 122.113 120.400 0.072 0.000 2.455 236 D HA -0.002 4.639 4.640 0.001 0.000 0.241 236 D C -1.405 174.910 176.300 0.025 0.000 1.138 236 D CA -1.122 52.906 54.000 0.046 0.000 0.877 236 D CB 1.816 42.647 40.800 0.051 0.000 1.187 236 D HN 0.050 nan 8.370 nan 0.000 0.451 237 P HA 0.065 nan 4.420 nan 0.000 0.226 237 P C 0.752 178.022 177.300 -0.050 0.000 1.153 237 P CA 0.744 63.835 63.100 -0.015 0.000 0.777 237 P CB 0.082 31.773 31.700 -0.016 0.000 0.794 238 G N -1.027 107.741 108.800 -0.052 0.000 2.593 238 G HA2 -0.170 3.790 3.960 0.001 0.000 0.237 238 G HA3 -0.170 3.790 3.960 0.001 0.000 0.237 238 G C -0.672 174.172 174.900 -0.094 0.000 1.312 238 G CA -0.190 44.864 45.100 -0.078 0.000 0.896 238 G HN 0.226 nan 8.290 nan 0.000 0.574 239 T N 0.849 115.343 114.554 -0.101 0.000 2.786 239 T HA 0.536 4.887 4.350 0.001 0.000 0.283 239 T C -0.010 174.636 174.700 -0.090 0.000 0.992 239 T CA -0.242 61.797 62.100 -0.102 0.000 0.954 239 T CB 1.632 70.436 68.868 -0.107 0.000 0.934 239 T HN 0.875 nan 8.240 nan 0.000 0.440 240 L N 4.150 125.319 121.223 -0.089 0.000 2.371 240 L HA 0.545 4.886 4.340 0.001 0.000 0.272 240 L C -0.690 176.114 176.870 -0.110 0.000 1.124 240 L CA -0.118 54.667 54.840 -0.091 0.000 0.816 240 L CB 0.372 42.377 42.059 -0.090 0.000 1.129 240 L HN 0.606 nan 8.230 nan 0.000 0.448 241 I N 5.955 126.453 120.570 -0.120 0.000 2.620 241 I HA 0.372 4.543 4.170 0.001 0.000 0.280 241 I C 0.660 176.506 176.117 -0.452 0.000 1.143 241 I CA 0.169 61.353 61.300 -0.193 0.000 1.163 241 I CB 0.740 38.710 38.000 -0.050 0.000 1.461 241 I HN 0.850 nan 8.210 nan 0.000 0.530 242 A N 3.588 126.130 122.820 -0.462 0.000 3.702 242 A HA 0.708 5.029 4.320 0.001 0.000 0.175 242 A C 1.295 178.306 177.584 -0.955 0.000 1.741 242 A CA 0.625 52.344 52.037 -0.530 0.000 0.912 242 A CB -1.010 17.838 19.000 -0.252 0.000 1.154 242 A HN 0.486 nan 8.150 nan 0.000 0.420 243 G N -1.216 107.297 108.800 -0.479 0.000 2.508 243 G HA2 0.419 4.379 3.960 0.001 0.000 0.278 243 G HA3 0.419 4.379 3.960 0.001 0.000 0.278 243 G C 0.149 174.941 174.900 -0.179 0.000 1.389 243 G CA 0.539 45.474 45.100 -0.274 0.000 1.050 243 G HN 0.800 nan 8.290 nan 0.000 0.522 244 S N -1.145 114.572 115.700 0.028 0.000 2.554 244 S HA 0.287 4.758 4.470 0.001 0.000 0.278 244 S C 1.347 175.956 174.600 0.016 0.000 1.242 244 S CA -0.358 57.889 58.200 0.078 0.000 1.051 244 S CB 0.956 64.223 63.200 0.110 0.000 0.986 244 S HN 0.536 nan 8.310 nan 0.000 0.502 245 M N 2.783 122.393 119.600 0.017 0.000 2.618 245 M HA 0.362 4.843 4.480 0.001 0.000 0.240 245 M C 1.080 177.383 176.300 0.005 0.000 1.123 245 M CA 0.824 56.125 55.300 0.000 0.000 1.060 245 M CB -0.254 32.345 32.600 -0.002 0.000 1.535 245 M HN 0.456 nan 8.290 nan 0.000 0.507 246 E N 1.670 121.878 120.200 0.013 0.000 2.150 246 E HA -0.131 4.219 4.350 0.001 0.000 0.193 246 E C 0.775 177.379 176.600 0.006 0.000 0.985 246 E CA 1.091 57.496 56.400 0.009 0.000 0.814 246 E CB -0.314 29.392 29.700 0.010 0.000 0.752 246 E HN 0.668 nan 8.360 nan 0.000 0.466 247 D N 0.113 120.517 120.400 0.006 0.000 2.328 247 D HA 0.052 4.693 4.640 0.001 0.000 0.221 247 D C 0.406 176.704 176.300 -0.004 0.000 1.072 247 D CA -0.010 53.992 54.000 0.002 0.000 0.850 247 D CB 0.698 41.501 40.800 0.005 0.000 0.922 247 D HN 0.063 nan 8.370 nan 0.000 0.516 248 I N 3.288 123.855 120.570 -0.005 0.000 2.365 248 I HA 0.158 4.329 4.170 0.001 0.000 0.291 248 I C -1.928 174.188 176.117 -0.001 0.000 1.004 248 I CA -2.087 59.208 61.300 -0.008 0.000 1.311 248 I CB 0.966 38.959 38.000 -0.012 0.000 1.401 248 I HN -0.252 nan 8.210 nan 0.000 0.491 249 P HA 0.173 nan 4.420 nan 0.000 0.282 249 P C -0.108 177.200 177.300 0.014 0.000 1.274 249 P CA -0.076 63.028 63.100 0.006 0.000 0.770 249 P CB 1.626 33.328 31.700 0.004 0.000 0.867 254 V N 2.955 122.848 119.914 -0.035 0.000 3.167 254 V HA 0.703 4.823 4.120 0.001 0.000 0.310 254 V C -0.926 175.128 176.094 -0.067 0.000 1.207 254 V CA -1.007 61.261 62.300 -0.054 0.000 1.059 254 V CB 2.208 34.006 31.823 -0.042 0.000 1.079 254 V HN 0.911 nan 8.190 nan 0.000 0.446 255 L N 2.520 123.691 121.223 -0.087 0.000 2.319 255 L HA 0.330 4.671 4.340 0.001 0.000 0.280 255 L C 1.256 178.089 176.870 -0.062 0.000 1.099 255 L CA 0.157 54.929 54.840 -0.113 0.000 0.828 255 L CB 1.367 43.300 42.059 -0.212 0.000 1.150 255 L HN 0.783 nan 8.230 nan 0.000 0.442 256 T N 1.436 115.961 114.554 -0.048 0.000 3.010 256 T HA 0.245 4.596 4.350 0.001 0.000 0.252 256 T C 0.524 175.234 174.700 0.017 0.000 1.047 256 T CA 0.679 62.768 62.100 -0.017 0.000 1.140 256 T CB 0.393 69.250 68.868 -0.020 0.000 0.885 256 T HN 0.830 nan 8.240 nan 0.000 0.464 257 G N -0.092 108.724 108.800 0.026 0.000 2.387 257 G HA2 0.452 4.412 3.960 0.001 0.000 0.294 257 G HA3 0.452 4.412 3.960 0.001 0.000 0.294 257 G C -1.924 173.024 174.900 0.080 0.000 1.509 257 G CA -0.801 44.345 45.100 0.076 0.000 0.806 257 G HN 0.088 nan 8.290 nan 0.000 0.546 258 V N 0.245 120.225 119.914 0.111 0.000 2.472 258 V HA 0.801 4.922 4.120 0.001 0.000 0.290 258 V C 0.706 176.839 176.094 0.065 0.000 1.037 258 V CA 0.062 62.420 62.300 0.097 0.000 0.908 258 V CB 1.090 32.977 31.823 0.108 0.000 0.985 258 V HN 1.498 nan 8.190 nan 0.000 0.454 259 A N 3.233 126.093 122.820 0.067 0.000 2.380 259 A HA 0.925 5.246 4.320 0.001 0.000 0.315 259 A C -0.316 177.298 177.584 0.051 0.000 1.101 259 A CA -0.543 51.524 52.037 0.051 0.000 0.771 259 A CB 2.109 21.139 19.000 0.049 0.000 1.287 259 A HN 0.706 nan 8.150 nan 0.000 0.436 260 T N 0.409 114.984 114.554 0.035 0.000 2.900 260 T HA 0.625 4.976 4.350 0.001 0.000 0.303 260 T C -2.135 172.580 174.700 0.024 0.000 1.142 260 T CA -0.221 61.897 62.100 0.030 0.000 1.007 260 T CB 1.703 70.580 68.868 0.015 0.000 1.156 260 T HN 0.765 nan 8.240 nan 0.000 0.490 261 D N 1.417 121.831 120.400 0.024 0.000 2.688 261 D HA 0.245 4.886 4.640 0.001 0.000 0.210 261 D C -0.261 176.048 176.300 0.015 0.000 1.333 261 D CA -0.540 53.472 54.000 0.021 0.000 0.920 261 D CB 1.039 41.855 40.800 0.026 0.000 1.554 261 D HN 0.582 nan 8.370 nan 0.000 0.579 262 K N 0.769 121.175 120.400 0.010 0.000 2.478 262 K HA 0.204 4.525 4.320 0.001 0.000 0.205 262 K C 0.720 177.324 176.600 0.006 0.000 1.033 262 K CA -0.278 56.012 56.287 0.004 0.000 1.091 262 K CB 0.457 32.957 32.500 0.000 0.000 0.844 262 K HN 0.114 nan 8.250 nan 0.000 0.507 263 S N -0.080 115.628 115.700 0.014 0.000 2.556 263 S HA 0.113 4.583 4.470 0.001 0.000 0.216 263 S C -0.030 174.586 174.600 0.027 0.000 0.970 263 S CA -0.550 57.663 58.200 0.021 0.000 0.912 263 S CB -0.097 63.118 63.200 0.025 0.000 0.790 263 S HN 0.236 nan 8.310 nan 0.000 0.504 264 E N 0.731 120.942 120.200 0.018 0.000 2.249 264 E HA 0.746 5.096 4.350 0.001 0.000 0.263 264 E C -0.967 175.631 176.600 -0.003 0.000 0.950 264 E CA -0.885 55.529 56.400 0.023 0.000 0.827 264 E CB 2.138 31.852 29.700 0.022 0.000 1.220 264 E HN 0.290 nan 8.360 nan 0.000 0.411 265 A N 1.307 124.128 122.820 0.002 0.000 2.365 265 A HA 0.473 4.793 4.320 0.001 0.000 0.318 265 A C -0.594 176.929 177.584 -0.101 0.000 1.091 265 A CA -0.717 51.283 52.037 -0.060 0.000 0.763 265 A CB 1.204 20.224 19.000 0.033 0.000 1.248 265 A HN 0.481 nan 8.150 nan 0.000 0.442 266 K N 1.855 122.149 120.400 -0.176 0.000 2.211 266 K HA 0.610 4.931 4.320 0.001 0.000 0.275 266 K C -1.465 174.966 176.600 -0.281 0.000 1.024 266 K CA -0.282 55.877 56.287 -0.214 0.000 0.887 266 K CB 1.069 33.472 32.500 -0.161 0.000 1.084 266 K HN 0.422 nan 8.250 nan 0.000 0.463 267 V N 3.335 122.947 119.914 -0.505 0.000 2.588 267 V HA 0.376 4.497 4.120 0.001 0.000 0.304 267 V C -0.757 175.015 176.094 -0.538 0.000 1.042 267 V CA -0.802 61.173 62.300 -0.541 0.000 0.877 267 V CB 2.021 33.345 31.823 -0.831 0.000 0.996 267 V HN 0.886 nan 8.190 nan 0.000 0.425 268 T N 3.600 118.005 114.554 -0.248 0.000 2.840 268 T HA 0.497 4.847 4.350 0.001 0.000 0.287 268 T C -0.438 174.184 174.700 -0.131 0.000 0.991 268 T CA -0.438 61.568 62.100 -0.158 0.000 0.964 268 T CB 1.658 70.465 68.868 -0.102 0.000 0.954 268 T HN 0.331 nan 8.240 nan 0.000 0.438 269 V N 5.247 125.052 119.914 -0.182 0.000 2.385 269 V HA 0.365 4.486 4.120 0.001 0.000 0.269 269 V C 0.120 176.052 176.094 -0.270 0.000 1.043 269 V CA -0.668 61.423 62.300 -0.348 0.000 0.906 269 V CB 0.599 31.960 31.823 -0.770 0.000 0.995 269 V HN 0.721 nan 8.190 nan 0.000 0.467 270 L N 3.983 125.113 121.223 -0.155 0.000 2.343 270 L HA 0.672 5.012 4.340 0.001 0.000 0.275 270 L C 1.193 178.063 176.870 -0.000 0.000 1.056 270 L CA -0.068 54.739 54.840 -0.056 0.000 0.804 270 L CB 1.279 43.340 42.059 0.004 0.000 1.203 270 L HN 0.889 nan 8.230 nan 0.000 0.440 271 G N 3.010 111.825 108.800 0.026 0.000 2.212 271 G HA2 -0.244 3.716 3.960 0.001 0.000 0.255 271 G HA3 -0.244 3.716 3.960 0.001 0.000 0.255 271 G C -0.375 174.613 174.900 0.147 0.000 1.062 271 G CA -0.457 44.697 45.100 0.089 0.000 0.815 271 G HN 0.382 nan 8.290 nan 0.000 0.497 272 I N 1.777 122.395 120.570 0.081 0.000 2.441 272 I HA 0.391 4.561 4.170 0.001 0.000 0.287 272 I C 1.329 177.509 176.117 0.105 0.000 1.049 272 I CA 0.154 61.536 61.300 0.137 0.000 1.381 272 I CB 1.487 39.492 38.000 0.008 0.000 1.409 272 I HN 0.425 nan 8.210 nan 0.000 0.523 273 S N 3.419 119.197 115.700 0.130 0.000 2.533 273 S HA 0.028 4.498 4.470 0.001 0.000 0.282 273 S C 0.335 174.971 174.600 0.061 0.000 1.304 273 S CA -0.686 57.563 58.200 0.083 0.000 1.063 273 S CB 0.514 63.762 63.200 0.079 0.000 0.881 273 S HN 0.617 nan 8.310 nan 0.000 0.493 274 D N 2.643 123.066 120.400 0.038 0.000 2.885 274 D HA 0.279 4.920 4.640 0.001 0.000 0.234 274 D C 0.378 176.692 176.300 0.024 0.000 1.129 274 D CA 0.172 54.186 54.000 0.022 0.000 0.991 274 D CB -0.763 40.042 40.800 0.009 0.000 1.137 274 D HN 0.801 nan 8.370 nan 0.000 0.459 275 K N 0.874 121.294 120.400 0.034 0.000 2.281 275 K HA 0.683 5.003 4.320 0.001 0.000 0.242 275 K C -2.718 173.902 176.600 0.032 0.000 0.971 275 K CA -1.602 54.704 56.287 0.031 0.000 0.834 275 K CB 0.094 32.615 32.500 0.035 0.000 1.181 275 K HN 0.035 nan 8.250 nan 0.000 0.435 276 P HA 0.300 nan 4.420 nan 0.000 0.269 276 P C 1.023 178.344 177.300 0.035 0.000 1.209 276 P CA 1.667 64.782 63.100 0.025 0.000 0.776 276 P CB 0.965 32.675 31.700 0.017 0.000 0.876 277 G N 1.661 110.485 108.800 0.040 0.000 2.336 277 G HA2 -0.285 3.676 3.960 0.001 0.000 0.233 277 G HA3 -0.285 3.676 3.960 0.001 0.000 0.233 277 G C 1.244 176.189 174.900 0.074 0.000 1.053 277 G CA 0.063 45.192 45.100 0.050 0.000 0.625 277 G HN 0.506 nan 8.290 nan 0.000 0.511 278 E N 0.797 121.047 120.200 0.083 0.000 2.085 278 E HA -0.076 4.274 4.350 0.001 0.000 0.194 278 E C 2.902 179.581 176.600 0.131 0.000 0.994 278 E CA 1.630 58.103 56.400 0.122 0.000 0.801 278 E CB -0.518 29.255 29.700 0.122 0.000 0.743 278 E HN 0.885 nan 8.360 nan 0.000 0.453 279 A N 1.440 124.327 122.820 0.112 0.000 1.972 279 A HA -0.057 4.263 4.320 0.001 0.000 0.219 279 A C 2.405 180.123 177.584 0.223 0.000 1.169 279 A CA 1.736 53.872 52.037 0.164 0.000 0.635 279 A CB -0.442 18.668 19.000 0.183 0.000 0.810 279 A HN 0.261 nan 8.150 nan 0.000 0.446 280 A N -0.166 122.744 122.820 0.151 0.000 2.019 280 A HA -0.142 4.179 4.320 0.001 0.000 0.219 280 A C 2.075 179.729 177.584 0.118 0.000 1.164 280 A CA 1.673 53.789 52.037 0.132 0.000 0.644 280 A CB -0.349 18.699 19.000 0.080 0.000 0.805 280 A HN 0.561 nan 8.150 nan 0.000 0.449 281 K N -0.491 119.982 120.400 0.121 0.000 2.025 281 K HA -0.054 4.266 4.320 0.001 0.000 0.207 281 K C 1.932 178.607 176.600 0.124 0.000 1.049 281 K CA 1.361 57.726 56.287 0.131 0.000 0.933 281 K CB -0.407 32.206 32.500 0.189 0.000 0.714 281 K HN 0.308 nan 8.250 nan 0.000 0.438 282 V N 0.890 120.839 119.914 0.059 0.000 2.237 282 V HA -0.236 3.885 4.120 0.001 0.000 0.245 282 V C 2.042 177.927 176.094 -0.349 0.000 1.046 282 V CA 1.866 64.039 62.300 -0.211 0.000 1.007 282 V CB -0.469 30.956 31.823 -0.663 0.000 0.638 282 V HN 0.154 nan 8.190 nan 0.000 0.445 283 F N -0.187 119.711 119.950 -0.087 0.000 2.416 283 F HA 0.045 4.572 4.527 0.001 0.000 0.296 283 F C 2.436 178.185 175.800 -0.085 0.000 1.099 283 F CA 1.118 59.033 58.000 -0.141 0.000 1.427 283 F CB -0.440 38.475 39.000 -0.142 0.000 1.079 283 F HN 0.005 nan 8.300 nan 0.000 0.536 284 R N 1.309 121.871 120.500 0.104 0.000 2.066 284 R HA -0.073 4.268 4.340 0.001 0.000 0.232 284 R C 2.222 178.538 176.300 0.027 0.000 1.131 284 R CA 1.630 57.765 56.100 0.058 0.000 0.955 284 R CB -1.007 29.324 30.300 0.052 0.000 0.851 284 R HN 0.153 nan 8.270 nan 0.000 0.432 285 A N 0.572 123.401 122.820 0.015 0.000 1.917 285 A HA -0.148 4.173 4.320 0.001 0.000 0.219 285 A C 2.280 179.855 177.584 -0.016 0.000 1.182 285 A CA 1.788 53.828 52.037 0.006 0.000 0.633 285 A CB -0.700 18.317 19.000 0.028 0.000 0.819 285 A HN 0.374 nan 8.150 nan 0.000 0.448 286 L N -1.112 120.072 121.223 -0.064 0.000 2.044 286 L HA -0.119 4.221 4.340 0.001 0.000 0.205 286 L C 3.112 179.970 176.870 -0.019 0.000 1.075 286 L CA 0.934 55.726 54.840 -0.079 0.000 0.747 286 L CB -0.572 41.349 42.059 -0.229 0.000 0.903 286 L HN 0.419 nan 8.230 nan 0.000 0.435 287 A N -0.100 122.724 122.820 0.008 0.000 1.940 287 A HA -0.248 4.073 4.320 0.001 0.000 0.219 287 A C 1.847 179.441 177.584 0.017 0.000 1.176 287 A CA 2.022 54.073 52.037 0.023 0.000 0.631 287 A CB -0.572 18.450 19.000 0.037 0.000 0.814 287 A HN 0.360 nan 8.150 nan 0.000 0.446 288 D N -0.272 120.136 120.400 0.014 0.000 2.309 288 D HA 0.024 4.664 4.640 0.001 0.000 0.212 288 D C 1.547 177.855 176.300 0.012 0.000 0.968 288 D CA 1.238 55.245 54.000 0.012 0.000 0.882 288 D CB -0.104 40.703 40.800 0.011 0.000 0.918 288 D HN 0.473 nan 8.370 nan 0.000 0.503 289 A N -0.503 122.324 122.820 0.012 0.000 2.430 289 A HA 0.452 4.772 4.320 0.001 0.000 0.243 289 A C 1.114 178.710 177.584 0.020 0.000 1.254 289 A CA 1.119 53.165 52.037 0.015 0.000 0.914 289 A CB -0.253 18.756 19.000 0.015 0.000 0.998 289 A HN 0.103 nan 8.150 nan 0.000 0.515 290 E N -2.388 117.825 120.200 0.021 0.000 3.181 290 E HA -0.154 4.196 4.350 0.001 0.000 0.293 290 E C 0.603 177.223 176.600 0.034 0.000 0.936 290 E CA 1.272 57.687 56.400 0.026 0.000 0.975 290 E CB -2.926 26.789 29.700 0.024 0.000 1.496 290 E HN 2.140 nan 8.360 nan 0.000 0.429 291 I N 2.070 122.662 120.570 0.036 0.000 2.389 291 I HA 0.527 4.698 4.170 0.001 0.000 0.295 291 I C 0.577 176.730 176.117 0.061 0.000 1.117 291 I CA -0.142 61.192 61.300 0.056 0.000 1.317 291 I CB -0.262 37.774 38.000 0.059 0.000 1.431 291 I HN 0.566 nan 8.210 nan 0.000 0.521 292 N N 7.879 126.620 118.700 0.067 0.000 2.452 292 N HA 0.300 5.041 4.740 0.001 0.000 0.266 292 N C -0.435 175.133 175.510 0.097 0.000 1.209 292 N CA -0.162 52.927 53.050 0.066 0.000 0.929 292 N CB 1.317 39.838 38.487 0.056 0.000 1.063 292 N HN 0.793 nan 8.380 nan 0.000 0.472 293 I N -1.626 118.997 120.570 0.089 0.000 2.354 293 I HA 0.356 4.527 4.170 0.001 0.000 0.292 293 I C 0.068 176.245 176.117 0.101 0.000 0.989 293 I CA -0.610 60.773 61.300 0.138 0.000 1.188 293 I CB 1.588 39.664 38.000 0.127 0.000 1.342 293 I HN 0.423 nan 8.210 nan 0.000 0.457 294 D N 5.248 125.725 120.400 0.127 0.000 2.338 294 D HA 0.165 4.806 4.640 0.001 0.000 0.224 294 D C 0.403 176.741 176.300 0.064 0.000 0.967 294 D CA 0.579 54.628 54.000 0.081 0.000 0.896 294 D CB 0.596 41.444 40.800 0.081 0.000 1.028 294 D HN 0.659 nan 8.370 nan 0.000 0.493 295 M N 1.093 120.751 119.600 0.096 0.000 2.371 295 M HA 0.400 4.880 4.480 0.001 0.000 0.287 295 M C -2.234 174.137 176.300 0.119 0.000 1.149 295 M CA -0.867 54.475 55.300 0.070 0.000 0.929 295 M CB 2.366 34.999 32.600 0.056 0.000 1.683 295 M HN -0.158 nan 8.290 nan 0.000 0.470 296 V N 5.734 125.684 119.914 0.061 0.000 2.709 296 V HA 0.817 4.937 4.120 0.001 0.000 0.308 296 V C -2.278 173.845 176.094 0.049 0.000 1.062 296 V CA -0.491 61.870 62.300 0.102 0.000 0.901 296 V CB 2.135 33.951 31.823 -0.012 0.000 1.003 296 V HN 0.872 nan 8.190 nan 0.000 0.425 297 L N 5.518 126.791 121.223 0.082 0.000 2.436 297 L HA 0.714 5.055 4.340 0.001 0.000 0.268 297 L C -0.644 176.244 176.870 0.030 0.000 0.974 297 L CA 0.063 54.924 54.840 0.035 0.000 0.826 297 L CB 1.840 43.915 42.059 0.027 0.000 1.291 297 L HN 0.890 nan 8.230 nan 0.000 0.406 298 Q N 3.517 123.312 119.800 -0.009 0.000 2.327 298 Q HA 0.437 4.777 4.340 0.001 0.000 0.265 298 Q C -2.072 173.863 176.000 -0.110 0.000 0.993 298 Q CA -0.527 55.249 55.803 -0.044 0.000 0.885 298 Q CB 2.373 31.099 28.738 -0.020 0.000 1.379 298 Q HN 0.614 nan 8.270 nan 0.000 0.408 299 N N 2.644 121.218 118.700 -0.210 0.000 2.397 299 N HA 0.293 5.033 4.740 0.001 0.000 0.291 299 N C -1.921 173.186 175.510 -0.672 0.000 1.065 299 N CA -0.201 52.608 53.050 -0.402 0.000 0.884 299 N CB 2.360 40.591 38.487 -0.427 0.000 1.551 299 N HN 0.419 nan 8.380 nan 0.000 0.487 300 V N 4.723 124.312 119.914 -0.541 0.000 2.432 300 V HA 0.597 4.718 4.120 0.001 0.000 0.275 300 V C -1.116 174.655 176.094 -0.539 0.000 1.043 300 V CA -0.222 61.809 62.300 -0.449 0.000 0.925 300 V CB -0.195 31.517 31.823 -0.184 0.000 0.985 300 V HN 0.467 nan 8.190 nan 0.000 0.466 301 F N 6.435 126.390 119.950 0.008 0.000 2.382 301 F HA 0.860 5.388 4.527 0.001 0.000 0.361 301 F C 0.548 176.353 175.800 0.009 0.000 1.109 301 F CA 0.554 58.558 58.000 0.007 0.000 1.031 301 F CB 1.389 40.393 39.000 0.005 0.000 1.234 301 F HN 0.924 nan 8.300 nan 0.000 0.445 308 T N 1.194 115.754 114.554 0.011 0.000 2.838 308 T HA 0.782 5.133 4.350 0.001 0.000 0.292 308 T C -1.745 172.937 174.700 -0.030 0.000 1.113 308 T CA -0.445 61.644 62.100 -0.018 0.000 1.008 308 T CB 1.479 70.314 68.868 -0.055 0.000 1.259 308 T HN 0.553 nan 8.240 nan 0.000 0.520 309 D N 1.350 121.723 120.400 -0.046 0.000 2.350 309 D HA 0.551 5.192 4.640 0.001 0.000 0.245 309 D C -0.617 175.648 176.300 -0.058 0.000 1.036 309 D CA -0.230 53.734 54.000 -0.060 0.000 0.848 309 D CB 1.722 42.502 40.800 -0.034 0.000 1.307 309 D HN 0.460 nan 8.370 nan 0.000 0.469 310 I N 0.870 121.397 120.570 -0.072 0.000 2.436 310 I HA 0.214 4.385 4.170 0.001 0.000 0.289 310 I C 0.005 176.145 176.117 0.037 0.000 1.010 310 I CA -0.447 60.854 61.300 0.002 0.000 1.098 310 I CB 2.139 40.155 38.000 0.025 0.000 1.266 310 I HN 0.013 nan 8.210 nan 0.000 0.434 311 T N 6.645 121.243 114.554 0.073 0.000 2.824 311 T HA 0.676 5.027 4.350 0.001 0.000 0.280 311 T C -0.741 174.076 174.700 0.195 0.000 0.995 311 T CA -0.251 61.876 62.100 0.045 0.000 1.009 311 T CB 0.767 69.631 68.868 -0.006 0.000 0.955 311 T HN 0.399 nan 8.240 nan 0.000 0.452 312 F N 0.102 120.092 119.950 0.067 0.000 2.613 312 F HA 0.815 5.343 4.527 0.001 0.000 0.314 312 F C -0.531 175.316 175.800 0.078 0.000 1.075 312 F CA -0.939 57.132 58.000 0.119 0.000 0.945 312 F CB 1.522 40.678 39.000 0.258 0.000 1.310 312 F HN 0.334 nan 8.300 nan 0.000 0.467 313 T N 2.039 116.741 114.554 0.248 0.000 2.841 313 T HA 0.686 5.036 4.350 0.001 0.000 0.283 313 T C -1.013 173.826 174.700 0.230 0.000 1.000 313 T CA -0.300 61.871 62.100 0.118 0.000 0.977 313 T CB 0.791 69.695 68.868 0.061 0.000 0.979 313 T HN 1.093 nan 8.240 nan 0.000 0.446 314 C N 3.373 122.781 119.300 0.179 0.000 3.323 314 C HA 0.878 5.339 4.460 0.001 0.000 0.324 314 C C -3.003 172.063 174.990 0.126 0.000 1.428 314 C CA -2.459 56.675 59.018 0.194 0.000 1.368 314 C CB 0.899 28.819 27.740 0.299 0.000 1.731 314 C HN 0.520 nan 8.230 nan 0.000 0.455 315 P HA 0.348 nan 4.420 nan 0.000 0.271 315 P C 0.365 177.726 177.300 0.102 0.000 1.218 315 P CA 0.034 63.187 63.100 0.088 0.000 0.780 315 P CB 0.482 32.227 31.700 0.075 0.000 0.901 316 R N 1.167 121.720 120.500 0.088 0.000 2.105 316 R HA -0.147 4.193 4.340 0.001 0.000 0.239 316 R C 2.181 178.551 176.300 0.116 0.000 1.135 316 R CA 2.309 58.477 56.100 0.114 0.000 0.967 316 R CB -0.869 29.479 30.300 0.081 0.000 0.861 316 R HN 0.585 nan 8.270 nan 0.000 0.442 317 S N 0.484 116.233 115.700 0.083 0.000 2.419 317 S HA -0.116 4.354 4.470 0.001 0.000 0.233 317 S C 0.895 175.534 174.600 0.066 0.000 1.016 317 S CA 1.428 59.667 58.200 0.066 0.000 0.974 317 S CB -0.059 63.172 63.200 0.052 0.000 0.786 317 S HN 0.239 nan 8.310 nan 0.000 0.492 318 D N 1.214 121.665 120.400 0.084 0.000 2.350 318 D HA 0.234 4.875 4.640 0.001 0.000 0.213 318 D C 1.981 178.340 176.300 0.099 0.000 1.031 318 D CA 0.650 54.702 54.000 0.087 0.000 0.861 318 D CB -0.584 40.280 40.800 0.107 0.000 0.926 318 D HN 0.470 nan 8.370 nan 0.000 0.520 319 G N 1.047 109.924 108.800 0.128 0.000 2.446 319 G HA2 -0.351 3.610 3.960 0.001 0.000 0.217 319 G HA3 -0.351 3.610 3.960 0.001 0.000 0.217 319 G C 1.919 176.760 174.900 -0.099 0.000 1.168 319 G CA 1.499 46.702 45.100 0.171 0.000 0.771 319 G HN 0.430 nan 8.290 nan 0.000 0.551 320 R N -0.016 120.386 120.500 -0.163 0.000 2.075 320 R HA 0.027 4.368 4.340 0.001 0.000 0.230 320 R C 2.844 179.058 176.300 -0.143 0.000 1.140 320 R CA 2.835 58.775 56.100 -0.266 0.000 0.928 320 R CB -1.601 28.607 30.300 -0.153 0.000 0.834 320 R HN 0.588 nan 8.270 nan 0.000 0.429 321 R N 0.293 120.761 120.500 -0.054 0.000 2.113 321 R HA 0.060 4.400 4.340 0.001 0.000 0.244 321 R C 2.906 179.214 176.300 0.013 0.000 1.142 321 R CA 2.740 58.832 56.100 -0.013 0.000 0.953 321 R CB -1.700 28.606 30.300 0.010 0.000 0.860 321 R HN 1.073 nan 8.270 nan 0.000 0.438 322 A N 0.360 123.210 122.820 0.050 0.000 1.884 322 A HA -0.239 4.082 4.320 0.001 0.000 0.219 322 A C 2.516 180.165 177.584 0.110 0.000 1.197 322 A CA 2.434 54.549 52.037 0.130 0.000 0.637 322 A CB -0.542 18.614 19.000 0.260 0.000 0.827 322 A HN 0.646 nan 8.150 nan 0.000 0.450 323 M N -1.060 118.553 119.600 0.021 0.000 2.200 323 M HA -0.127 4.353 4.480 0.001 0.000 0.265 323 M C 2.027 178.327 176.300 0.001 0.000 1.066 323 M CA 1.750 57.049 55.300 -0.003 0.000 1.127 323 M CB -0.329 32.182 32.600 -0.147 0.000 1.379 323 M HN 0.575 nan 8.290 nan 0.000 0.420 324 E N 0.129 120.310 120.200 -0.031 0.000 2.085 324 E HA -0.249 4.101 4.350 0.001 0.000 0.194 324 E C 1.797 178.407 176.600 0.017 0.000 0.994 324 E CA 1.441 57.833 56.400 -0.015 0.000 0.801 324 E CB -0.246 29.438 29.700 -0.028 0.000 0.743 324 E HN 0.414 nan 8.360 nan 0.000 0.453 325 I N 0.717 121.305 120.570 0.031 0.000 2.233 325 I HA -0.193 3.978 4.170 0.001 0.000 0.243 325 I C 1.859 178.020 176.117 0.074 0.000 1.093 325 I CA 1.062 62.386 61.300 0.040 0.000 1.380 325 I CB -0.134 37.887 38.000 0.034 0.000 1.067 325 I HN 0.024 nan 8.210 nan 0.000 0.413 326 L N 0.545 121.840 121.223 0.118 0.000 2.131 326 L HA -0.140 4.200 4.340 0.001 0.000 0.210 326 L C 2.328 179.331 176.870 0.222 0.000 1.092 326 L CA 1.514 56.487 54.840 0.222 0.000 0.759 326 L CB -1.218 40.987 42.059 0.244 0.000 0.903 326 L HN 0.169 nan 8.230 nan 0.000 0.435 327 K N -0.388 120.091 120.400 0.131 0.000 2.283 327 K HA -0.099 4.221 4.320 0.001 0.000 0.202 327 K C 1.917 178.543 176.600 0.043 0.000 1.048 327 K CA 0.639 56.984 56.287 0.096 0.000 0.948 327 K CB 0.092 32.625 32.500 0.055 0.000 0.742 327 K HN 0.267 nan 8.250 nan 0.000 0.458 328 K N 0.497 120.911 120.400 0.023 0.000 2.116 328 K HA 0.021 4.342 4.320 0.001 0.000 0.203 328 K C 1.956 178.514 176.600 -0.071 0.000 1.052 328 K CA 0.341 56.617 56.287 -0.019 0.000 0.952 328 K CB -0.128 32.363 32.500 -0.016 0.000 0.729 328 K HN 0.077 nan 8.250 nan 0.000 0.446 329 L N 1.536 122.713 121.223 -0.076 0.000 2.201 329 L HA -0.117 4.224 4.340 0.001 0.000 0.212 329 L C 2.494 179.055 176.870 -0.515 0.000 1.105 329 L CA 1.426 56.111 54.840 -0.260 0.000 0.775 329 L CB -0.797 41.136 42.059 -0.211 0.000 0.913 329 L HN 0.363 nan 8.230 nan 0.000 0.440 330 Q N -0.398 119.215 119.800 -0.311 0.000 2.049 330 Q HA -0.139 4.202 4.340 0.001 0.000 0.198 330 Q C 2.213 178.091 176.000 -0.203 0.000 0.971 330 Q CA 1.576 57.194 55.803 -0.309 0.000 0.833 330 Q CB 0.227 28.987 28.738 0.036 0.000 0.896 330 Q HN 0.286 nan 8.270 nan 0.000 0.434 331 V N 0.937 120.779 119.914 -0.120 0.000 2.295 331 V HA -0.215 3.906 4.120 0.001 0.000 0.246 331 V C 0.926 176.951 176.094 -0.115 0.000 1.049 331 V CA 1.453 63.700 62.300 -0.088 0.000 1.024 331 V CB -0.451 31.340 31.823 -0.053 0.000 0.648 331 V HN 0.366 nan 8.190 nan 0.000 0.447 332 Q N 1.294 121.006 119.800 -0.147 0.000 2.580 332 Q HA 0.325 4.666 4.340 0.001 0.000 0.232 332 Q C 0.847 176.723 176.000 -0.205 0.000 1.326 332 Q CA 0.506 56.217 55.803 -0.154 0.000 0.887 332 Q CB -0.496 28.149 28.738 -0.155 0.000 1.617 332 Q HN 0.570 nan 8.270 nan 0.000 0.554 333 G N 2.789 111.496 108.800 -0.156 0.000 2.927 333 G HA2 -0.239 3.721 3.960 0.001 0.000 0.302 333 G HA3 -0.239 3.721 3.960 0.001 0.000 0.302 333 G C 0.379 175.149 174.900 -0.217 0.000 0.283 333 G CA 0.409 45.418 45.100 -0.153 0.000 1.200 333 G HN 0.675 nan 8.290 nan 0.000 0.197 334 N N 1.586 120.137 118.700 -0.249 0.000 2.539 334 N HA 0.078 4.819 4.740 0.001 0.000 0.338 334 N C -0.445 174.991 175.510 -0.124 0.000 1.221 334 N CA 0.731 53.594 53.050 -0.311 0.000 1.735 334 N CB -0.281 37.756 38.487 -0.750 0.000 0.715 334 N HN 0.641 nan 8.380 nan 0.000 1.554 335 W N 1.143 122.442 121.300 -0.002 0.000 2.594 335 W HA 0.620 5.280 4.660 0.001 0.000 0.365 335 W C 1.498 178.020 176.519 0.004 0.000 1.196 335 W CA 0.265 57.611 57.345 0.002 0.000 1.258 335 W CB -0.824 28.637 29.460 0.001 0.000 1.405 335 W HN 0.344 nan 8.180 nan 0.000 0.640 336 T N -2.323 112.437 114.554 0.342 0.000 2.894 336 T HA 0.099 4.449 4.350 0.001 0.000 0.258 336 T C 0.201 175.015 174.700 0.190 0.000 1.043 336 T CA 1.251 63.467 62.100 0.192 0.000 1.141 336 T CB -0.327 68.614 68.868 0.122 0.000 0.873 336 T HN 0.470 nan 8.240 nan 0.000 0.449 337 N N -0.874 117.954 118.700 0.213 0.000 2.859 337 N HA 0.419 5.160 4.740 0.001 0.000 0.250 337 N C -2.276 173.308 175.510 0.123 0.000 1.341 337 N CA -0.552 52.595 53.050 0.162 0.000 0.881 337 N CB 2.212 40.754 38.487 0.091 0.000 1.516 337 N HN 0.209 nan 8.380 nan 0.000 0.503 338 V N 2.955 122.939 119.914 0.116 0.000 2.483 338 V HA 0.654 4.774 4.120 0.001 0.000 0.297 338 V C -1.183 174.943 176.094 0.054 0.000 1.027 338 V CA -0.461 61.878 62.300 0.065 0.000 0.855 338 V CB 0.793 32.691 31.823 0.126 0.000 0.995 338 V HN 0.562 nan 8.190 nan 0.000 0.424 339 L N 6.577 127.812 121.223 0.020 0.000 2.334 339 L HA 0.654 4.994 4.340 0.001 0.000 0.272 339 L C -1.061 175.849 176.870 0.066 0.000 1.020 339 L CA -0.877 53.984 54.840 0.035 0.000 0.812 339 L CB 1.844 43.901 42.059 -0.004 0.000 1.264 339 L HN 0.791 nan 8.230 nan 0.000 0.439 340 Y N 1.259 121.522 120.300 -0.062 0.000 2.477 340 Y HA 0.535 5.085 4.550 0.000 0.000 0.347 340 Y C -1.483 174.382 175.900 -0.059 0.000 0.981 340 Y CA -1.037 57.019 58.100 -0.073 0.000 1.033 340 Y CB 1.942 40.377 38.460 -0.042 0.000 1.245 340 Y HN 0.542 nan 8.280 nan 0.000 0.455 341 D N 4.391 124.369 120.400 -0.703 0.000 2.354 341 D HA 0.156 4.796 4.640 0.001 0.000 0.230 341 D C -1.438 174.496 176.300 -0.611 0.000 1.361 341 D CA -0.396 53.281 54.000 -0.539 0.000 0.992 341 D CB 0.796 41.438 40.800 -0.263 0.000 1.409 341 D HN 0.714 nan 8.370 nan 0.000 0.573 342 D N 2.045 122.061 120.400 -0.640 0.000 2.643 342 D HA 0.083 4.724 4.640 0.001 0.000 0.244 342 D C 0.195 176.389 176.300 -0.177 0.000 1.257 342 D CA -0.081 53.694 54.000 -0.376 0.000 0.831 342 D CB 0.230 40.850 40.800 -0.299 0.000 1.043 342 D HN 0.367 nan 8.370 nan 0.000 0.488 343 Q N 0.281 119.986 119.800 -0.158 0.000 2.089 343 Q HA 0.197 4.537 4.340 0.001 0.000 0.248 343 Q C -0.093 175.863 176.000 -0.073 0.000 0.828 343 Q CA -0.309 55.440 55.803 -0.091 0.000 1.102 343 Q CB 1.989 30.681 28.738 -0.077 0.000 1.221 343 Q HN 0.315 nan 8.270 nan 0.000 0.455 344 V N -2.457 117.408 119.914 -0.082 0.000 2.617 344 V HA 0.962 5.082 4.120 0.001 0.000 0.298 344 V C 0.286 176.361 176.094 -0.032 0.000 1.048 344 V CA -0.549 61.718 62.300 -0.056 0.000 0.964 344 V CB 1.496 33.279 31.823 -0.067 0.000 1.004 344 V HN 0.142 nan 8.190 nan 0.000 0.466 345 G N 2.084 110.876 108.800 -0.013 0.000 2.563 345 G HA2 0.639 4.599 3.960 0.001 0.000 0.302 345 G HA3 0.639 4.599 3.960 0.001 0.000 0.302 345 G C -1.388 173.523 174.900 0.018 0.000 1.301 345 G CA -1.086 44.015 45.100 0.002 0.000 0.965 345 G HN 1.012 nan 8.290 nan 0.000 0.480 346 K N 0.405 120.822 120.400 0.028 0.000 2.358 346 K HA 0.615 4.935 4.320 0.001 0.000 0.260 346 K C -1.316 175.322 176.600 0.064 0.000 0.956 346 K CA -0.639 55.675 56.287 0.045 0.000 0.834 346 K CB 2.001 34.523 32.500 0.037 0.000 1.102 346 K HN 0.430 nan 8.250 nan 0.000 0.431 347 V N 3.469 123.444 119.914 0.101 0.000 2.555 347 V HA 0.688 4.809 4.120 0.001 0.000 0.302 347 V C -1.383 174.841 176.094 0.217 0.000 1.038 347 V CA -0.137 62.239 62.300 0.127 0.000 0.887 347 V CB 1.960 33.847 31.823 0.106 0.000 0.991 347 V HN 0.929 nan 8.190 nan 0.000 0.434 348 S N 6.077 121.895 115.700 0.196 0.000 2.569 348 S HA 0.751 5.222 4.470 0.001 0.000 0.280 348 S C -1.261 173.484 174.600 0.240 0.000 1.111 348 S CA -0.537 57.798 58.200 0.226 0.000 0.887 348 S CB 1.791 65.055 63.200 0.107 0.000 1.095 348 S HN 0.879 nan 8.310 nan 0.000 0.476 349 L N 3.026 124.410 121.223 0.269 0.000 2.346 349 L HA 0.859 5.199 4.340 0.001 0.000 0.276 349 L C -1.029 175.859 176.870 0.030 0.000 1.006 349 L CA -0.600 54.326 54.840 0.142 0.000 0.817 349 L CB 1.561 43.722 42.059 0.170 0.000 1.272 349 L HN 0.603 nan 8.230 nan 0.000 0.421 350 V N 1.443 121.354 119.914 -0.005 0.000 2.789 350 V HA 1.101 5.221 4.120 0.001 0.000 0.311 350 V C -0.268 175.797 176.094 -0.049 0.000 1.073 350 V CA 0.040 62.327 62.300 -0.022 0.000 0.921 350 V CB 1.221 33.045 31.823 0.001 0.000 1.009 350 V HN 1.180 nan 8.190 nan 0.000 0.426 351 G N 1.519 110.288 108.800 -0.052 0.000 2.387 351 G HA2 0.648 4.609 3.960 0.001 0.000 0.309 351 G HA3 0.648 4.609 3.960 0.001 0.000 0.309 351 G C 0.187 175.060 174.900 -0.045 0.000 1.641 351 G CA 0.137 45.202 45.100 -0.058 0.000 0.904 351 G HN 1.502 nan 8.290 nan 0.000 0.661 352 A N 0.905 123.706 122.820 -0.032 0.000 1.940 352 A HA 0.176 4.497 4.320 0.001 0.000 0.219 352 A C 2.734 180.310 177.584 -0.014 0.000 1.176 352 A CA 2.934 54.959 52.037 -0.019 0.000 0.631 352 A CB -0.829 18.162 19.000 -0.015 0.000 0.814 352 A HN 1.976 nan 8.150 nan 0.000 0.446 353 G N 0.540 109.322 108.800 -0.030 0.000 2.503 353 G HA2 -0.358 3.603 3.960 0.001 0.000 0.221 353 G HA3 -0.358 3.603 3.960 0.001 0.000 0.221 353 G C 1.613 176.512 174.900 -0.001 0.000 1.131 353 G CA 1.591 46.673 45.100 -0.029 0.000 0.756 353 G HN 0.810 nan 8.290 nan 0.000 0.572 354 M N -0.077 119.506 119.600 -0.028 0.000 2.562 354 M HA 0.319 4.799 4.480 0.001 0.000 0.257 354 M C 2.178 178.493 176.300 0.025 0.000 1.099 354 M CA 1.688 56.986 55.300 -0.004 0.000 1.099 354 M CB -0.068 32.496 32.600 -0.060 0.000 1.427 354 M HN 0.161 nan 8.290 nan 0.000 0.489 355 K N 1.673 122.083 120.400 0.017 0.000 2.057 355 K HA -0.101 4.219 4.320 0.001 0.000 0.207 355 K C 1.022 177.636 176.600 0.024 0.000 1.049 355 K CA 1.907 58.202 56.287 0.013 0.000 0.931 355 K CB 0.023 32.526 32.500 0.006 0.000 0.714 355 K HN 0.571 nan 8.250 nan 0.000 0.440 356 S N -1.186 114.540 115.700 0.044 0.000 2.754 356 S HA 0.154 4.624 4.470 0.001 0.000 0.247 356 S C -0.609 174.005 174.600 0.023 0.000 1.031 356 S CA -0.774 57.441 58.200 0.025 0.000 1.014 356 S CB -0.000 63.206 63.200 0.009 0.000 0.918 356 S HN 0.277 nan 8.310 nan 0.000 0.519 357 H N 2.100 121.171 119.070 0.001 0.000 2.551 357 H HA 0.446 5.003 4.556 0.001 0.000 0.321 357 H C -2.035 173.304 175.328 0.018 0.000 1.028 357 H CA -1.506 54.549 56.048 0.011 0.000 1.215 357 H CB 1.581 31.352 29.762 0.015 0.000 1.414 357 H HN 0.004 nan 8.280 nan 0.000 0.480 358 P HA -0.023 nan 4.420 nan 0.000 0.223 358 P C 1.581 178.951 177.300 0.117 0.000 1.151 358 P CA 0.878 64.015 63.100 0.062 0.000 0.787 358 P CB 0.393 32.100 31.700 0.012 0.000 0.788 359 G N 0.027 108.945 108.800 0.198 0.000 2.443 359 G HA2 -0.207 3.753 3.960 0.001 0.000 0.219 359 G HA3 -0.207 3.753 3.960 0.001 0.000 0.219 359 G C 1.636 176.657 174.900 0.201 0.000 1.131 359 G CA 0.538 45.752 45.100 0.191 0.000 0.775 359 G HN 0.286 nan 8.290 nan 0.000 0.547 360 V N 1.076 121.110 119.914 0.199 0.000 2.295 360 V HA -0.168 3.953 4.120 0.001 0.000 0.246 360 V C 2.976 179.224 176.094 0.257 0.000 1.049 360 V CA 3.045 65.479 62.300 0.223 0.000 1.024 360 V CB -0.774 31.080 31.823 0.052 0.000 0.648 360 V HN 0.412 nan 8.190 nan 0.000 0.447 361 T N 0.803 115.445 114.554 0.146 0.000 2.720 361 T HA -0.145 4.205 4.350 0.001 0.000 0.268 361 T C 2.032 176.849 174.700 0.194 0.000 1.037 361 T CA 1.671 63.843 62.100 0.120 0.000 1.144 361 T CB -0.680 68.204 68.868 0.027 0.000 0.864 361 T HN 0.696 nan 8.240 nan 0.000 0.444 362 A N 1.764 124.681 122.820 0.161 0.000 1.908 362 A HA -0.175 4.146 4.320 0.001 0.000 0.218 362 A C 2.261 179.945 177.584 0.167 0.000 1.181 362 A CA 1.615 53.736 52.037 0.139 0.000 0.627 362 A CB -0.519 18.541 19.000 0.100 0.000 0.818 362 A HN 0.565 nan 8.150 nan 0.000 0.445 363 E N -1.590 118.742 120.200 0.220 0.000 2.107 363 E HA -0.124 4.226 4.350 0.001 0.000 0.191 363 E C 1.775 178.493 176.600 0.196 0.000 0.982 363 E CA 0.935 57.413 56.400 0.130 0.000 0.809 363 E CB -0.242 29.488 29.700 0.050 0.000 0.756 363 E HN 0.747 nan 8.360 nan 0.000 0.459 364 F N 1.394 121.539 119.950 0.326 0.000 2.069 364 F HA -0.283 4.245 4.527 0.001 0.000 0.298 364 F C 2.259 178.135 175.800 0.128 0.000 1.113 364 F CA 1.304 59.481 58.000 0.295 0.000 1.214 364 F CB 0.066 39.210 39.000 0.240 0.000 0.978 364 F HN -0.048 nan 8.300 nan 0.000 0.474 365 M N 0.376 120.266 119.600 0.482 0.000 2.099 365 M HA -0.181 4.299 4.480 0.001 0.000 0.262 365 M C 2.023 178.402 176.300 0.131 0.000 1.067 365 M CA 1.511 56.993 55.300 0.304 0.000 1.124 365 M CB -1.620 31.102 32.600 0.205 0.000 1.353 365 M HN 0.253 nan 8.290 nan 0.000 0.410 366 E N 0.500 120.754 120.200 0.089 0.000 2.097 366 E HA -0.178 4.172 4.350 0.001 0.000 0.196 366 E C 2.087 178.669 176.600 -0.029 0.000 1.000 366 E CA 1.477 57.889 56.400 0.019 0.000 0.804 366 E CB -0.169 29.530 29.700 -0.001 0.000 0.740 366 E HN 0.537 nan 8.360 nan 0.000 0.454 367 A N 1.210 123.989 122.820 -0.068 0.000 1.902 367 A HA -0.135 4.186 4.320 0.001 0.000 0.217 367 A C 2.626 180.148 177.584 -0.103 0.000 1.181 367 A CA 1.807 53.765 52.037 -0.132 0.000 0.623 367 A CB -1.180 17.687 19.000 -0.221 0.000 0.818 367 A HN 0.261 nan 8.150 nan 0.000 0.443 368 L N 0.265 121.441 121.223 -0.078 0.000 2.017 368 L HA -0.088 4.253 4.340 0.001 0.000 0.208 368 L C 2.693 179.557 176.870 -0.010 0.000 1.073 368 L CA 2.930 57.747 54.840 -0.038 0.000 0.745 368 L CB -1.743 40.343 42.059 0.045 0.000 0.894 368 L HN 0.680 nan 8.230 nan 0.000 0.432 369 R N -0.493 120.010 120.500 0.004 0.000 2.080 369 R HA -0.233 4.108 4.340 0.001 0.000 0.236 369 R C 2.115 178.408 176.300 -0.012 0.000 1.137 369 R CA 2.146 58.248 56.100 0.003 0.000 0.943 369 R CB -0.769 29.536 30.300 0.007 0.000 0.846 369 R HN 0.634 nan 8.270 nan 0.000 0.431 370 D N -0.071 120.314 120.400 -0.025 0.000 2.315 370 D HA -0.072 4.569 4.640 0.001 0.000 0.211 370 D C 0.022 176.305 176.300 -0.029 0.000 0.977 370 D CA 0.805 54.787 54.000 -0.030 0.000 0.894 370 D CB 0.107 40.880 40.800 -0.044 0.000 0.910 370 D HN 0.062 nan 8.370 nan 0.000 0.490 371 V N 1.756 121.652 119.914 -0.030 0.000 2.334 371 V HA 0.068 4.188 4.120 0.001 0.000 0.281 371 V C 0.369 176.454 176.094 -0.016 0.000 1.016 371 V CA -0.985 61.300 62.300 -0.024 0.000 0.832 371 V CB 1.216 33.022 31.823 -0.030 0.000 0.999 371 V HN -0.065 nan 8.190 nan 0.000 0.439 372 N N 4.565 123.258 118.700 -0.011 0.000 2.399 372 N HA -0.084 4.656 4.740 0.001 0.000 0.297 372 N C -0.638 174.870 175.510 -0.003 0.000 1.219 372 N CA 0.498 53.545 53.050 -0.006 0.000 1.154 372 N CB -0.184 38.300 38.487 -0.006 0.000 1.464 372 N HN 0.438 nan 8.380 nan 0.000 0.495 373 V N 2.499 122.414 119.914 0.001 0.000 2.407 373 V HA 0.227 4.348 4.120 0.001 0.000 0.291 373 V C -0.038 176.068 176.094 0.020 0.000 1.018 373 V CA -1.103 61.201 62.300 0.007 0.000 0.842 373 V CB 1.414 33.239 31.823 0.004 0.000 0.996 373 V HN 0.520 nan 8.190 nan 0.000 0.426 374 N N 5.230 123.942 118.700 0.020 0.000 2.472 374 N HA 0.333 5.074 4.740 0.001 0.000 0.277 374 N C -0.463 175.071 175.510 0.039 0.000 1.081 374 N CA -0.432 52.633 53.050 0.026 0.000 0.973 374 N CB 0.716 39.213 38.487 0.016 0.000 1.105 374 N HN 0.459 nan 8.380 nan 0.000 0.470 375 I N 2.783 123.385 120.570 0.052 0.000 2.474 375 I HA 0.095 4.266 4.170 0.001 0.000 0.287 375 I C 1.070 177.212 176.117 0.042 0.000 1.048 375 I CA 0.332 61.671 61.300 0.066 0.000 1.383 375 I CB 1.011 39.062 38.000 0.086 0.000 1.412 375 I HN 0.759 nan 8.210 nan 0.000 0.531 376 E N 4.615 124.837 120.200 0.036 0.000 2.288 376 E HA 0.282 4.632 4.350 0.001 0.000 0.200 376 E C -0.254 176.359 176.600 0.021 0.000 0.880 376 E CA 0.124 56.537 56.400 0.021 0.000 0.971 376 E CB 0.764 30.470 29.700 0.010 0.000 0.954 376 E HN 0.323 nan 8.360 nan 0.000 0.489 377 L N 1.464 122.699 121.223 0.021 0.000 2.354 377 L HA 0.561 4.901 4.340 0.001 0.000 0.264 377 L C -0.539 176.338 176.870 0.012 0.000 1.008 377 L CA -0.628 54.222 54.840 0.017 0.000 0.819 377 L CB 2.026 44.091 42.059 0.009 0.000 1.339 377 L HN 0.075 nan 8.230 nan 0.000 0.420 378 I N 0.683 121.253 120.570 0.001 0.000 2.509 378 I HA 0.446 4.616 4.170 0.001 0.000 0.293 378 I C -0.185 175.911 176.117 -0.035 0.000 1.020 378 I CA -0.277 61.003 61.300 -0.033 0.000 1.088 378 I CB 2.285 40.259 38.000 -0.043 0.000 1.267 378 I HN 0.501 nan 8.210 nan 0.000 0.430 379 S N 2.950 118.615 115.700 -0.058 0.000 2.632 379 S HA 0.797 5.267 4.470 0.001 0.000 0.289 379 S C -0.995 173.561 174.600 -0.074 0.000 1.115 379 S CA -0.241 57.930 58.200 -0.048 0.000 0.889 379 S CB 2.161 65.345 63.200 -0.027 0.000 1.116 379 S HN 0.638 nan 8.310 nan 0.000 0.486 380 T N 1.824 116.344 114.554 -0.057 0.000 3.291 380 T HA 0.464 4.814 4.350 0.001 0.000 0.344 380 T C -0.708 173.965 174.700 -0.045 0.000 1.293 380 T CA -0.650 61.411 62.100 -0.064 0.000 1.108 380 T CB 1.373 70.200 68.868 -0.069 0.000 1.231 380 T HN 0.780 nan 8.240 nan 0.000 0.474 381 S N 1.631 117.306 115.700 -0.042 0.000 2.745 381 S HA 0.499 4.969 4.470 0.001 0.000 0.292 381 S C 1.188 175.768 174.600 -0.034 0.000 1.127 381 S CA -0.630 57.550 58.200 -0.033 0.000 1.007 381 S CB 1.260 64.445 63.200 -0.026 0.000 1.165 381 S HN 0.771 nan 8.310 nan 0.000 0.544 382 E N -0.258 119.926 120.200 -0.026 0.000 2.204 382 E HA -0.074 4.277 4.350 0.001 0.000 0.195 382 E C 1.045 177.631 176.600 -0.024 0.000 0.990 382 E CA 1.417 57.804 56.400 -0.023 0.000 0.821 382 E CB -0.332 29.358 29.700 -0.017 0.000 0.750 382 E HN 0.722 nan 8.360 nan 0.000 0.477 383 I N -2.105 118.450 120.570 -0.025 0.000 3.658 383 I HA 0.384 4.554 4.170 0.001 0.000 0.328 383 I C -0.157 175.938 176.117 -0.037 0.000 1.567 383 I CA -0.692 60.591 61.300 -0.029 0.000 1.078 383 I CB 0.607 38.595 38.000 -0.019 0.000 1.267 383 I HN -0.182 nan 8.210 nan 0.000 0.495 384 R N 1.756 122.229 120.500 -0.045 0.000 2.584 384 R HA 0.669 5.010 4.340 0.001 0.000 0.276 384 R C -2.040 174.206 176.300 -0.089 0.000 1.046 384 R CA -0.616 55.454 56.100 -0.050 0.000 0.906 384 R CB 2.358 32.641 30.300 -0.029 0.000 1.215 384 R HN 0.310 nan 8.270 nan 0.000 0.449 385 I N 2.563 123.058 120.570 -0.126 0.000 2.378 385 I HA 0.339 4.509 4.170 0.001 0.000 0.291 385 I C -0.388 175.590 176.117 -0.231 0.000 0.992 385 I CA -0.550 60.581 61.300 -0.282 0.000 1.154 385 I CB 2.180 39.823 38.000 -0.594 0.000 1.315 385 I HN 0.494 nan 8.210 nan 0.000 0.448 386 S N 4.548 120.133 115.700 -0.192 0.000 2.513 386 S HA 0.719 5.189 4.470 0.001 0.000 0.299 386 S C -0.812 173.749 174.600 -0.065 0.000 1.087 386 S CA -0.610 57.554 58.200 -0.061 0.000 1.012 386 S CB 2.479 65.668 63.200 -0.020 0.000 1.044 386 S HN 0.313 nan 8.310 nan 0.000 0.485 387 V N 3.990 123.938 119.914 0.056 0.000 2.567 387 V HA 0.373 4.493 4.120 0.001 0.000 0.298 387 V C -0.979 175.169 176.094 0.091 0.000 1.047 387 V CA -0.562 61.789 62.300 0.086 0.000 0.880 387 V CB 1.610 33.569 31.823 0.226 0.000 1.009 387 V HN 0.761 nan 8.190 nan 0.000 0.429 388 L N 6.980 128.234 121.223 0.051 0.000 2.331 388 L HA 0.642 4.983 4.340 0.001 0.000 0.278 388 L C -0.012 176.880 176.870 0.036 0.000 1.106 388 L CA -0.031 54.829 54.840 0.035 0.000 0.824 388 L CB 0.900 42.965 42.059 0.010 0.000 1.142 388 L HN 0.663 nan 8.230 nan 0.000 0.443 389 I N -0.743 119.844 120.570 0.028 0.000 3.467 389 I HA 0.582 4.753 4.170 0.001 0.000 0.314 389 I C -0.680 175.439 176.117 0.002 0.000 1.177 389 I CA -1.429 59.884 61.300 0.022 0.000 0.943 389 I CB 1.522 39.544 38.000 0.037 0.000 1.338 389 I HN 0.268 nan 8.210 nan 0.000 0.482 390 R N 2.075 122.574 120.500 -0.002 0.000 2.537 390 R HA 0.086 4.426 4.340 0.001 0.000 0.280 390 R C 1.134 177.428 176.300 -0.010 0.000 1.058 390 R CA 0.240 56.332 56.100 -0.012 0.000 1.057 390 R CB -0.009 30.284 30.300 -0.012 0.000 0.973 390 R HN 0.879 nan 8.270 nan 0.000 0.438 391 E N 1.688 121.878 120.200 -0.016 0.000 2.171 391 E HA -0.272 4.078 4.350 0.001 0.000 0.197 391 E C 0.020 176.614 176.600 -0.010 0.000 0.997 391 E CA 1.561 57.954 56.400 -0.013 0.000 0.810 391 E CB 0.006 29.696 29.700 -0.018 0.000 0.738 391 E HN 0.484 nan 8.360 nan 0.000 0.467 392 D N 1.254 121.647 120.400 -0.011 0.000 2.218 392 D HA -0.120 4.520 4.640 0.001 0.000 0.204 392 D C 1.026 177.321 176.300 -0.008 0.000 0.976 392 D CA 1.069 55.063 54.000 -0.010 0.000 0.853 392 D CB -0.134 40.659 40.800 -0.010 0.000 0.939 392 D HN 0.279 nan 8.370 nan 0.000 0.481 393 D N 0.062 120.459 120.400 -0.006 0.000 2.350 393 D HA -0.003 4.637 4.640 0.001 0.000 0.213 393 D C 2.048 178.345 176.300 -0.004 0.000 1.031 393 D CA -0.167 53.831 54.000 -0.005 0.000 0.861 393 D CB 0.181 40.980 40.800 -0.001 0.000 0.926 393 D HN 0.077 nan 8.370 nan 0.000 0.520 394 L N 1.237 122.459 121.223 -0.002 0.000 2.043 394 L HA -0.218 4.123 4.340 0.001 0.000 0.212 394 L C 1.226 178.092 176.870 -0.006 0.000 1.075 394 L CA 1.952 56.792 54.840 0.001 0.000 0.752 394 L CB -0.330 41.730 42.059 0.001 0.000 0.891 394 L HN -0.087 nan 8.230 nan 0.000 0.432 395 D N -1.015 119.378 120.400 -0.011 0.000 2.091 395 D HA -0.116 4.524 4.640 0.001 0.000 0.199 395 D C 2.225 178.514 176.300 -0.018 0.000 0.980 395 D CA 1.310 55.301 54.000 -0.016 0.000 0.831 395 D CB -0.325 40.464 40.800 -0.017 0.000 0.987 395 D HN 0.399 nan 8.370 nan 0.000 0.460 396 A N 1.141 123.951 122.820 -0.017 0.000 1.917 396 A HA -0.136 4.185 4.320 0.001 0.000 0.219 396 A C 2.273 179.841 177.584 -0.026 0.000 1.182 396 A CA 2.273 54.298 52.037 -0.020 0.000 0.633 396 A CB -1.136 17.853 19.000 -0.019 0.000 0.819 396 A HN 0.243 nan 8.150 nan 0.000 0.448 397 A N -0.093 122.711 122.820 -0.028 0.000 1.859 397 A HA 0.050 4.370 4.320 0.001 0.000 0.217 397 A C 2.574 180.127 177.584 -0.053 0.000 1.198 397 A CA 2.695 54.705 52.037 -0.046 0.000 0.629 397 A CB -1.278 17.707 19.000 -0.024 0.000 0.830 397 A HN 1.242 nan 8.150 nan 0.000 0.446 398 A N -0.790 122.016 122.820 -0.024 0.000 1.940 398 A HA -0.190 4.131 4.320 0.001 0.000 0.219 398 A C 2.238 179.831 177.584 0.016 0.000 1.176 398 A CA 2.044 54.077 52.037 -0.007 0.000 0.631 398 A CB -0.459 18.534 19.000 -0.011 0.000 0.814 398 A HN 0.555 nan 8.150 nan 0.000 0.446 399 R N -0.583 119.918 120.500 0.002 0.000 2.066 399 R HA -0.029 4.311 4.340 0.001 0.000 0.232 399 R C 2.340 178.663 176.300 0.038 0.000 1.131 399 R CA 1.492 57.606 56.100 0.024 0.000 0.955 399 R CB -0.416 29.884 30.300 0.000 0.000 0.851 399 R HN 0.446 nan 8.270 nan 0.000 0.432 400 A N 0.347 123.160 122.820 -0.011 0.000 1.898 400 A HA -0.113 4.207 4.320 0.001 0.000 0.216 400 A C 1.943 179.489 177.584 -0.063 0.000 1.181 400 A CA 0.962 52.971 52.037 -0.046 0.000 0.620 400 A CB -0.522 18.434 19.000 -0.073 0.000 0.819 400 A HN 0.277 nan 8.150 nan 0.000 0.442 401 L N -0.759 120.428 121.223 -0.059 0.000 2.083 401 L HA -0.146 4.195 4.340 0.001 0.000 0.209 401 L C 2.305 179.257 176.870 0.137 0.000 1.083 401 L CA 2.396 57.217 54.840 -0.032 0.000 0.752 401 L CB -1.120 40.877 42.059 -0.104 0.000 0.899 401 L HN 0.662 nan 8.230 nan 0.000 0.433 402 H N -0.201 118.887 119.070 0.030 0.000 2.270 402 H HA -0.135 4.421 4.556 0.001 0.000 0.299 402 H C 2.155 177.503 175.328 0.033 0.000 1.077 402 H CA 2.165 58.248 56.048 0.059 0.000 1.294 402 H CB 0.096 29.877 29.762 0.031 0.000 1.371 402 H HN 0.380 nan 8.280 nan 0.000 0.491 403 E N -0.373 119.820 120.200 -0.012 0.000 2.097 403 E HA -0.305 4.046 4.350 0.001 0.000 0.196 403 E C 2.290 178.794 176.600 -0.160 0.000 1.000 403 E CA 1.384 57.727 56.400 -0.095 0.000 0.804 403 E CB -0.068 29.605 29.700 -0.046 0.000 0.740 403 E HN 0.463 nan 8.360 nan 0.000 0.454 404 Q N -0.300 119.373 119.800 -0.213 0.000 2.084 404 Q HA -0.131 4.210 4.340 0.001 0.000 0.202 404 Q C 1.229 176.950 176.000 -0.466 0.000 0.978 404 Q CA 1.471 57.034 55.803 -0.401 0.000 0.844 404 Q CB 0.008 28.375 28.738 -0.620 0.000 0.898 404 Q HN 0.229 nan 8.270 nan 0.000 0.426 405 F N -0.218 119.668 119.950 -0.107 0.000 2.695 405 F HA 0.226 4.753 4.527 0.001 0.000 0.303 405 F C 0.908 176.628 175.800 -0.135 0.000 1.091 405 F CA -0.261 57.679 58.000 -0.099 0.000 1.300 405 F CB 0.257 39.217 39.000 -0.066 0.000 1.071 405 F HN -0.033 nan 8.300 nan 0.000 0.578 406 Q N 0.000 119.758 119.800 -0.070 0.000 2.315 406 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 406 Q CA 0.000 55.731 55.803 -0.120 0.000 1.022 406 Q CB 0.000 28.587 28.738 -0.253 0.000 1.108 406 Q HN 0.000 nan 8.270 nan 0.000 0.481