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 2zd9_1_C DATA FIRST_RESID 6 DATA SEQUENCE FLRIYAPLNA VLAAPGLLAV AALTIPDMSG RSRLALAALL AVIWGAYLLQ DATA SEQUENCE LAATLLKRRA GVVRDRTPKI AIDVLAVLVP LAAFLLDGSP DWSLYCAVWL DATA SEQUENCE LKPLRDSTFF PVLGRVLANE ARNLIGVTTL FGVVLFAVAL AAYVIERDIQ DATA SEQUENCE PEKFGSIPQA MWWAVVTLST TGYGDTIPQS FAGRVLAGAV MMSGIGIFGL DATA SEQUENCE WAGILATGFY QEVRRGDFVR NWQLVAAVPL FQKL 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 6 F HA 0.000 nan 4.527 nan 0.000 0.279 6 F C 0.000 175.808 175.800 0.013 0.000 0.967 6 F CA 0.000 58.004 58.000 0.007 0.000 1.383 6 F CB 0.000 39.000 39.000 0.000 0.000 1.145 7 L N 1.827 123.061 121.223 0.019 0.000 2.449 7 L HA 0.896 5.235 4.340 -0.000 0.000 0.255 7 L C 0.513 177.397 176.870 0.023 0.000 1.167 7 L CA 0.569 55.424 54.840 0.026 0.000 1.090 7 L CB -0.738 41.346 42.059 0.041 0.000 1.385 7 L HN 2.327 nan 8.230 nan 0.000 0.411 8 R N 1.844 122.353 120.500 0.015 0.000 3.059 8 R HA 0.625 4.965 4.340 -0.000 0.000 0.161 8 R C 1.413 177.719 176.300 0.010 0.000 0.758 8 R CA 1.618 57.725 56.100 0.012 0.000 1.064 8 R CB -0.030 30.273 30.300 0.005 0.000 1.538 8 R HN 1.704 nan 8.270 nan 0.000 0.574 9 I N -0.633 119.941 120.570 0.007 0.000 3.974 9 I HA 0.671 4.840 4.170 -0.000 0.000 0.334 9 I C 1.430 177.549 176.117 0.005 0.000 1.437 9 I CA 0.925 62.227 61.300 0.004 0.000 1.113 9 I CB -0.604 37.397 38.000 0.002 0.000 1.063 9 I HN 0.980 nan 8.210 nan 0.000 0.400 10 Y N -2.189 118.116 120.300 0.008 0.000 2.449 10 Y HA 0.667 5.216 4.550 -0.000 0.000 0.278 10 Y C 1.932 177.838 175.900 0.011 0.000 1.066 10 Y CA 1.020 59.125 58.100 0.008 0.000 1.166 10 Y CB -0.297 38.167 38.460 0.007 0.000 1.346 10 Y HN 0.739 nan 8.280 nan 0.000 0.562 11 A N 0.012 122.841 122.820 0.015 0.000 1.964 11 A HA 0.377 4.696 4.320 -0.000 0.000 0.198 11 A C -1.752 175.846 177.584 0.024 0.000 1.599 11 A CA 0.808 52.857 52.037 0.020 0.000 0.968 11 A CB -0.831 18.185 19.000 0.026 0.000 1.029 11 A HN 0.308 nan 8.150 nan 0.000 0.508 12 P HA 0.391 nan 4.420 nan 0.000 0.251 12 P C 0.237 177.553 177.300 0.026 0.000 1.718 12 P CA -0.093 63.027 63.100 0.033 0.000 1.119 12 P CB 0.526 32.251 31.700 0.041 0.000 1.762 13 L N 1.198 122.434 121.223 0.022 0.000 2.109 13 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 13 L C 2.281 179.165 176.870 0.023 0.000 1.086 13 L CA 1.067 55.915 54.840 0.013 0.000 0.760 13 L CB -0.603 41.459 42.059 0.006 0.000 0.910 13 L HN 0.335 nan 8.230 nan 0.000 0.437 14 N N 0.027 118.755 118.700 0.046 0.000 2.457 14 N HA -0.072 4.667 4.740 -0.000 0.000 0.180 14 N C 1.652 177.233 175.510 0.119 0.000 1.050 14 N CA 0.784 53.893 53.050 0.098 0.000 0.906 14 N CB 0.316 38.856 38.487 0.088 0.000 0.968 14 N HN 0.304 nan 8.380 nan 0.000 0.445 15 A N -0.002 122.860 122.820 0.069 0.000 2.044 15 A HA 0.088 4.407 4.320 -0.000 0.000 0.213 15 A C 2.169 179.784 177.584 0.051 0.000 1.169 15 A CA 0.169 52.246 52.037 0.067 0.000 0.724 15 A CB -0.098 18.934 19.000 0.053 0.000 0.840 15 A HN 0.119 nan 8.150 nan 0.000 0.463 16 V N 0.548 120.479 119.914 0.027 0.000 2.407 16 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 16 V C 2.466 178.547 176.094 -0.022 0.000 1.055 16 V CA 1.906 64.208 62.300 0.004 0.000 1.049 16 V CB -0.771 31.047 31.823 -0.007 0.000 0.662 16 V HN 0.592 nan 8.190 nan 0.000 0.455 17 L N 0.236 121.428 121.223 -0.051 0.000 2.201 17 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 17 L C 2.641 179.423 176.870 -0.145 0.000 1.105 17 L CA 1.315 56.057 54.840 -0.165 0.000 0.775 17 L CB -0.802 41.052 42.059 -0.341 0.000 0.913 17 L HN 0.342 nan 8.230 nan 0.000 0.440 18 A N 0.182 123.011 122.820 0.016 0.000 2.015 18 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 18 A C 2.567 180.203 177.584 0.087 0.000 1.163 18 A CA 1.378 53.473 52.037 0.096 0.000 0.646 18 A CB -0.455 18.646 19.000 0.168 0.000 0.806 18 A HN 0.374 nan 8.150 nan 0.000 0.448 19 A N 0.779 123.626 122.820 0.046 0.000 1.851 19 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 19 A C 0.269 177.881 177.584 0.048 0.000 1.195 19 A CA 1.869 53.934 52.037 0.046 0.000 0.622 19 A CB -1.713 17.302 19.000 0.026 0.000 0.831 19 A HN 0.456 nan 8.150 nan 0.000 0.444 20 P HA 0.002 nan 4.420 nan 0.000 0.221 20 P C 1.658 179.000 177.300 0.070 0.000 1.150 20 P CA 1.377 64.495 63.100 0.030 0.000 0.800 20 P CB -0.347 31.354 31.700 0.000 0.000 0.787 21 G N 0.510 109.358 108.800 0.082 0.000 2.459 21 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 21 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 21 G C 1.455 176.559 174.900 0.340 0.000 1.183 21 G CA 0.736 45.975 45.100 0.232 0.000 0.776 21 G HN 0.225 nan 8.290 nan 0.000 0.552 22 L N -0.027 121.364 121.223 0.280 0.000 2.083 22 L HA 0.022 4.362 4.340 -0.000 0.000 0.209 22 L C 2.869 179.802 176.870 0.105 0.000 1.083 22 L CA 0.447 55.405 54.840 0.197 0.000 0.752 22 L CB -0.373 41.781 42.059 0.158 0.000 0.899 22 L HN 0.164 nan 8.230 nan 0.000 0.433 23 L N -0.457 120.819 121.223 0.088 0.000 2.141 23 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 23 L C 2.813 179.708 176.870 0.041 0.000 1.094 23 L CA 0.898 55.769 54.840 0.051 0.000 0.763 23 L CB -0.671 41.413 42.059 0.042 0.000 0.908 23 L HN 0.242 nan 8.230 nan 0.000 0.437 24 A N -0.326 122.533 122.820 0.065 0.000 1.969 24 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 24 A C 2.291 179.875 177.584 0.002 0.000 1.169 24 A CA 1.339 53.405 52.037 0.049 0.000 0.635 24 A CB -0.583 18.472 19.000 0.093 0.000 0.810 24 A HN 0.202 nan 8.150 nan 0.000 0.445 25 V N -0.136 119.777 119.914 -0.001 0.000 2.358 25 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 25 V C 2.999 179.044 176.094 -0.081 0.000 1.047 25 V CA 1.844 64.093 62.300 -0.085 0.000 1.035 25 V CB -1.298 30.474 31.823 -0.085 0.000 0.658 25 V HN 0.588 nan 8.190 nan 0.000 0.452 26 A N 0.223 123.021 122.820 -0.038 0.000 1.873 26 A HA -0.056 4.263 4.320 -0.000 0.000 0.215 26 A C 2.442 180.006 177.584 -0.033 0.000 1.186 26 A CA 1.967 53.984 52.037 -0.033 0.000 0.616 26 A CB -0.835 18.158 19.000 -0.012 0.000 0.823 26 A HN 0.556 nan 8.150 nan 0.000 0.442 27 A N -0.600 122.207 122.820 -0.022 0.000 1.933 27 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 27 A C 2.139 179.706 177.584 -0.029 0.000 1.175 27 A CA 1.523 53.550 52.037 -0.016 0.000 0.628 27 A CB -0.585 18.415 19.000 -0.001 0.000 0.814 27 A HN 0.542 nan 8.150 nan 0.000 0.444 28 L N 0.161 121.352 121.223 -0.053 0.000 2.362 28 L HA -0.092 4.248 4.340 -0.000 0.000 0.219 28 L C 2.394 179.220 176.870 -0.073 0.000 1.134 28 L CA 1.740 56.538 54.840 -0.071 0.000 0.807 28 L CB -0.082 41.895 42.059 -0.137 0.000 0.927 28 L HN 0.632 nan 8.230 nan 0.000 0.447 29 T N -3.535 110.977 114.554 -0.069 0.000 3.060 29 T HA 0.209 4.559 4.350 -0.000 0.000 0.249 29 T C 0.789 175.467 174.700 -0.037 0.000 1.079 29 T CA -0.328 61.736 62.100 -0.060 0.000 1.013 29 T CB -0.381 68.446 68.868 -0.068 0.000 0.975 29 T HN 0.080 nan 8.240 nan 0.000 0.518 30 I N 3.623 124.175 120.570 -0.028 0.000 2.587 30 I HA 0.213 4.383 4.170 -0.000 0.000 0.284 30 I C -2.126 173.983 176.117 -0.014 0.000 1.134 30 I CA -2.049 59.240 61.300 -0.018 0.000 1.410 30 I CB 0.315 38.307 38.000 -0.012 0.000 1.392 30 I HN 0.064 nan 8.210 nan 0.000 0.545 31 P HA 0.137 nan 4.420 nan 0.000 0.274 31 P C -0.729 176.568 177.300 -0.005 0.000 1.237 31 P CA -0.067 63.028 63.100 -0.008 0.000 0.793 31 P CB 0.398 32.093 31.700 -0.009 0.000 0.977 32 D N -1.123 119.275 120.400 -0.003 0.000 2.746 32 D HA -0.132 4.508 4.640 -0.000 0.000 0.236 32 D C -0.359 175.942 176.300 0.001 0.000 1.129 32 D CA 0.997 54.997 54.000 -0.001 0.000 0.691 32 D CB -1.226 39.573 40.800 -0.001 0.000 1.077 32 D HN 0.291 nan 8.370 nan 0.000 0.432 33 M N 0.473 120.074 119.600 0.002 0.000 2.300 33 M HA 0.210 4.689 4.480 -0.000 0.000 0.348 33 M C 0.663 176.967 176.300 0.008 0.000 1.151 33 M CA -0.485 54.817 55.300 0.004 0.000 1.046 33 M CB 1.750 34.352 32.600 0.003 0.000 1.647 33 M HN 0.083 nan 8.290 nan 0.000 0.451 34 S N 1.264 116.970 115.700 0.009 0.000 2.510 34 S HA 0.223 4.692 4.470 -0.000 0.000 0.279 34 S C 1.256 175.865 174.600 0.016 0.000 1.284 34 S CA -0.239 57.968 58.200 0.012 0.000 1.059 34 S CB 0.556 63.763 63.200 0.012 0.000 0.901 34 S HN 0.918 nan 8.310 nan 0.000 0.491 35 G N 2.327 111.137 108.800 0.017 0.000 2.501 35 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 35 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 35 G C 1.382 176.297 174.900 0.025 0.000 1.114 35 G CA 0.540 45.653 45.100 0.021 0.000 0.757 35 G HN 0.781 nan 8.290 nan 0.000 0.559 36 R N -0.130 120.383 120.500 0.022 0.000 2.062 36 R HA 0.046 4.386 4.340 -0.000 0.000 0.226 36 R C 2.608 178.925 176.300 0.028 0.000 1.125 36 R CA 1.471 57.585 56.100 0.024 0.000 0.966 36 R CB -0.376 29.935 30.300 0.020 0.000 0.861 36 R HN 0.287 nan 8.270 nan 0.000 0.433 37 S N 0.063 115.778 115.700 0.025 0.000 2.414 37 S HA -0.022 4.448 4.470 -0.000 0.000 0.227 37 S C 1.913 176.533 174.600 0.032 0.000 1.022 37 S CA 0.563 58.778 58.200 0.027 0.000 0.958 37 S CB -0.122 63.090 63.200 0.020 0.000 0.797 37 S HN 0.316 nan 8.310 nan 0.000 0.493 38 R N 0.388 120.907 120.500 0.031 0.000 2.120 38 R HA 0.004 4.344 4.340 -0.000 0.000 0.234 38 R C 2.287 178.620 176.300 0.054 0.000 1.123 38 R CA 1.266 57.387 56.100 0.035 0.000 0.975 38 R CB -0.334 29.984 30.300 0.030 0.000 0.866 38 R HN 0.450 nan 8.270 nan 0.000 0.446 39 L N 0.012 121.269 121.223 0.057 0.000 2.109 39 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 39 L C 2.276 179.195 176.870 0.082 0.000 1.086 39 L CA 1.413 56.297 54.840 0.074 0.000 0.760 39 L CB -0.230 41.865 42.059 0.061 0.000 0.910 39 L HN 0.209 nan 8.230 nan 0.000 0.437 40 A N -0.412 122.447 122.820 0.065 0.000 1.930 40 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 40 A C 2.108 179.736 177.584 0.074 0.000 1.175 40 A CA 1.228 53.304 52.037 0.064 0.000 0.627 40 A CB -0.590 18.438 19.000 0.047 0.000 0.815 40 A HN 0.381 nan 8.150 nan 0.000 0.443 41 L N -0.633 120.630 121.223 0.067 0.000 2.056 41 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 41 L C 3.006 179.937 176.870 0.102 0.000 1.078 41 L CA 2.017 56.898 54.840 0.068 0.000 0.749 41 L CB -1.606 40.478 42.059 0.042 0.000 0.901 41 L HN 0.457 nan 8.230 nan 0.000 0.433 42 A N -0.360 122.533 122.820 0.122 0.000 2.019 42 A HA -0.119 4.200 4.320 -0.000 0.000 0.219 42 A C 2.466 180.199 177.584 0.248 0.000 1.164 42 A CA 1.607 53.764 52.037 0.201 0.000 0.644 42 A CB -0.449 18.688 19.000 0.228 0.000 0.805 42 A HN 0.417 nan 8.150 nan 0.000 0.449 43 A N -0.730 122.200 122.820 0.184 0.000 1.929 43 A HA 0.060 4.380 4.320 -0.000 0.000 0.216 43 A C 2.060 179.747 177.584 0.171 0.000 1.176 43 A CA 1.475 53.618 52.037 0.177 0.000 0.628 43 A CB -0.486 18.587 19.000 0.123 0.000 0.816 43 A HN 0.544 nan 8.150 nan 0.000 0.444 44 L N -0.252 121.056 121.223 0.143 0.000 2.083 44 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 44 L C 2.273 179.240 176.870 0.162 0.000 1.083 44 L CA 1.461 56.372 54.840 0.117 0.000 0.752 44 L CB -0.402 41.708 42.059 0.086 0.000 0.899 44 L HN 0.400 nan 8.230 nan 0.000 0.433 45 L N -0.825 120.547 121.223 0.249 0.000 2.042 45 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 45 L C 2.587 179.734 176.870 0.461 0.000 1.076 45 L CA 1.359 56.438 54.840 0.400 0.000 0.749 45 L CB -0.868 41.448 42.059 0.429 0.000 0.893 45 L HN 0.336 nan 8.230 nan 0.000 0.432 46 A N -0.855 122.218 122.820 0.421 0.000 2.066 46 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 46 A C 2.278 180.058 177.584 0.328 0.000 1.157 46 A CA 1.113 53.425 52.037 0.459 0.000 0.670 46 A CB -0.516 18.713 19.000 0.381 0.000 0.804 46 A HN 0.208 nan 8.150 nan 0.000 0.453 47 V N -0.086 119.939 119.914 0.185 0.000 2.379 47 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 47 V C 2.344 178.419 176.094 -0.031 0.000 1.044 47 V CA 1.856 64.193 62.300 0.062 0.000 1.036 47 V CB -0.588 31.251 31.823 0.027 0.000 0.664 47 V HN 0.566 nan 8.190 nan 0.000 0.453 48 I N -1.075 119.458 120.570 -0.062 0.000 2.202 48 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 48 I C 2.309 178.234 176.117 -0.321 0.000 1.091 48 I CA 1.904 62.998 61.300 -0.343 0.000 1.368 48 I CB -0.389 37.316 38.000 -0.493 0.000 1.058 48 I HN 0.507 nan 8.210 nan 0.000 0.410 49 W N 1.996 123.241 121.300 -0.091 0.000 2.364 49 W HA -0.139 4.521 4.660 -0.000 0.000 0.281 49 W C 2.197 178.767 176.519 0.084 0.000 1.219 49 W CA 1.479 58.937 57.345 0.189 0.000 1.220 49 W CB -0.572 29.139 29.460 0.418 0.000 1.127 49 W HN 0.061 nan 8.180 nan 0.000 0.556 50 G N 0.043 108.765 108.800 -0.130 0.000 2.394 50 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.215 50 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.215 50 G C 1.625 176.369 174.900 -0.261 0.000 1.165 50 G CA 1.120 46.033 45.100 -0.312 0.000 0.784 50 G HN 0.423 nan 8.290 nan 0.000 0.535 51 A N -0.008 122.667 122.820 -0.242 0.000 1.930 51 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 51 A C 2.158 179.629 177.584 -0.188 0.000 1.175 51 A CA 1.120 53.008 52.037 -0.248 0.000 0.627 51 A CB -0.585 18.215 19.000 -0.335 0.000 0.815 51 A HN 0.503 nan 8.150 nan 0.000 0.443 52 Y N -1.493 118.696 120.300 -0.185 0.000 2.314 52 Y HA -0.108 4.441 4.550 -0.000 0.000 0.293 52 Y C 2.254 178.060 175.900 -0.156 0.000 1.129 52 Y CA 0.585 58.596 58.100 -0.149 0.000 1.201 52 Y CB -0.004 38.394 38.460 -0.103 0.000 0.999 52 Y HN 0.361 nan 8.280 nan 0.000 0.541 53 L N -0.120 121.027 121.223 -0.127 0.000 2.093 53 L HA -0.190 4.149 4.340 -0.000 0.000 0.208 53 L C 2.056 178.844 176.870 -0.136 0.000 1.085 53 L CA 1.313 56.023 54.840 -0.217 0.000 0.755 53 L CB -0.701 41.060 42.059 -0.496 0.000 0.904 53 L HN 0.241 nan 8.230 nan 0.000 0.435 54 L N -0.737 120.409 121.223 -0.127 0.000 2.093 54 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 54 L C 2.367 179.210 176.870 -0.044 0.000 1.085 54 L CA 1.665 56.453 54.840 -0.087 0.000 0.755 54 L CB -0.596 41.408 42.059 -0.092 0.000 0.904 54 L HN 0.450 nan 8.230 nan 0.000 0.435 55 Q N -0.181 119.612 119.800 -0.011 0.000 2.230 55 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 55 Q C 1.990 177.997 176.000 0.011 0.000 0.963 55 Q CA 1.245 57.061 55.803 0.020 0.000 0.866 55 Q CB -0.322 28.469 28.738 0.088 0.000 0.931 55 Q HN 0.465 nan 8.270 nan 0.000 0.452 56 L N -0.082 121.143 121.223 0.003 0.000 2.017 56 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 56 L C 1.986 178.850 176.870 -0.010 0.000 1.073 56 L CA 2.289 57.127 54.840 -0.003 0.000 0.745 56 L CB -0.874 41.181 42.059 -0.006 0.000 0.894 56 L HN 0.200 nan 8.230 nan 0.000 0.432 57 A N -0.675 122.132 122.820 -0.022 0.000 1.968 57 A HA 0.043 4.362 4.320 -0.000 0.000 0.217 57 A C 2.415 179.990 177.584 -0.015 0.000 1.169 57 A CA 1.309 53.333 52.037 -0.021 0.000 0.638 57 A CB -1.010 17.971 19.000 -0.032 0.000 0.812 57 A HN 0.577 nan 8.150 nan 0.000 0.446 58 A N -0.160 122.652 122.820 -0.014 0.000 1.972 58 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 58 A C 2.115 179.696 177.584 -0.005 0.000 1.169 58 A CA 2.132 54.163 52.037 -0.010 0.000 0.635 58 A CB -0.952 18.043 19.000 -0.008 0.000 0.810 58 A HN 0.707 nan 8.150 nan 0.000 0.446 59 T N -3.503 111.049 114.554 -0.003 0.000 3.145 59 T HA 0.470 4.820 4.350 -0.000 0.000 0.255 59 T C 1.024 175.723 174.700 -0.002 0.000 1.039 59 T CA 0.267 62.366 62.100 -0.001 0.000 0.928 59 T CB 0.216 69.084 68.868 0.000 0.000 1.029 59 T HN 0.221 nan 8.240 nan 0.000 0.554 60 L N -0.743 120.478 121.223 -0.004 0.000 2.749 60 L HA 0.496 4.836 4.340 -0.000 0.000 0.242 60 L C 1.742 178.609 176.870 -0.004 0.000 1.103 60 L CA 0.138 54.977 54.840 -0.003 0.000 0.906 60 L CB 0.222 42.279 42.059 -0.003 0.000 1.228 60 L HN 0.209 nan 8.230 nan 0.000 0.517 61 L N -0.103 121.116 121.223 -0.006 0.000 2.013 61 L HA -0.075 4.265 4.340 -0.000 0.000 0.204 61 L C 1.161 178.029 176.870 -0.005 0.000 1.081 61 L CA 0.971 55.807 54.840 -0.007 0.000 0.751 61 L CB -0.076 41.978 42.059 -0.009 0.000 0.901 61 L HN 0.002 nan 8.230 nan 0.000 0.440 62 K N 0.872 121.269 120.400 -0.004 0.000 2.228 62 K HA 0.068 4.388 4.320 -0.000 0.000 0.284 62 K C 0.685 177.284 176.600 -0.001 0.000 1.088 62 K CA -0.051 56.234 56.287 -0.003 0.000 0.941 62 K CB 0.382 32.880 32.500 -0.003 0.000 1.158 62 K HN 0.179 nan 8.250 nan 0.000 0.438 63 R N 2.612 123.111 120.500 -0.001 0.000 2.276 63 R HA 0.018 4.358 4.340 -0.000 0.000 0.196 63 R C 0.272 176.572 176.300 0.001 0.000 0.961 63 R CA 0.448 56.548 56.100 0.000 0.000 1.024 63 R CB 0.154 30.454 30.300 0.000 0.000 0.940 63 R HN 0.515 nan 8.270 nan 0.000 0.480 64 R N -0.528 119.972 120.500 0.000 0.000 2.651 64 R HA 0.652 4.991 4.340 -0.000 0.000 0.278 64 R C -1.663 174.637 176.300 0.001 0.000 1.010 64 R CA -0.770 55.330 56.100 0.001 0.000 0.896 64 R CB 1.801 32.102 30.300 0.001 0.000 1.211 64 R HN -0.070 nan 8.270 nan 0.000 0.456 65 A N 1.664 124.485 122.820 0.002 0.000 2.984 65 A HA 0.714 5.034 4.320 -0.000 0.000 0.320 65 A C 0.294 177.879 177.584 0.002 0.000 1.142 65 A CA 0.036 52.074 52.037 0.002 0.000 0.772 65 A CB 0.579 19.580 19.000 0.002 0.000 1.195 65 A HN 1.392 nan 8.150 nan 0.000 0.459 66 G N -0.436 108.365 108.800 0.001 0.000 2.246 66 G HA2 0.112 4.072 3.960 -0.000 0.000 0.196 66 G HA3 0.112 4.072 3.960 -0.000 0.000 0.196 66 G C 0.415 175.315 174.900 0.001 0.000 1.180 66 G CA 0.381 45.482 45.100 0.001 0.000 1.291 66 G HN 0.998 nan 8.290 nan 0.000 0.508 67 V N -0.264 119.651 119.914 0.001 0.000 2.939 67 V HA 0.522 4.641 4.120 -0.000 0.000 0.228 67 V C 0.616 176.711 176.094 0.001 0.000 1.162 67 V CA 1.163 63.464 62.300 0.001 0.000 1.222 67 V CB 0.672 32.495 31.823 0.000 0.000 1.053 67 V HN 0.859 nan 8.190 nan 0.000 0.504 68 V N 1.921 121.836 119.914 0.001 0.000 2.569 68 V HA 0.568 4.687 4.120 -0.000 0.000 0.301 68 V C -0.663 175.432 176.094 0.002 0.000 1.044 68 V CA -0.580 61.721 62.300 0.001 0.000 0.874 68 V CB 2.034 33.858 31.823 0.001 0.000 1.002 68 V HN 0.338 nan 8.190 nan 0.000 0.424 69 R N 2.433 122.934 120.500 0.002 0.000 2.621 69 R HA 0.471 4.810 4.340 -0.000 0.000 0.292 69 R C -1.508 174.794 176.300 0.004 0.000 0.969 69 R CA -0.602 55.501 56.100 0.003 0.000 0.887 69 R CB 2.198 32.500 30.300 0.004 0.000 1.180 69 R HN 0.855 nan 8.270 nan 0.000 0.450 70 D N 2.474 122.877 120.400 0.004 0.000 2.373 70 D HA 0.193 4.832 4.640 -0.000 0.000 0.227 70 D C -0.139 176.165 176.300 0.006 0.000 1.091 70 D CA -0.331 53.672 54.000 0.005 0.000 0.840 70 D CB 0.503 41.306 40.800 0.004 0.000 1.060 70 D HN 0.542 nan 8.370 nan 0.000 0.502 71 R N 1.721 122.224 120.500 0.005 0.000 2.522 71 R HA 0.197 4.537 4.340 -0.000 0.000 0.314 71 R C -0.130 176.173 176.300 0.004 0.000 1.178 71 R CA -0.553 55.550 56.100 0.006 0.000 1.294 71 R CB -0.579 29.724 30.300 0.006 0.000 1.345 71 R HN 0.163 nan 8.270 nan 0.000 0.710 72 T N 1.300 115.856 114.554 0.004 0.000 2.812 72 T HA -0.003 4.346 4.350 -0.000 0.000 0.264 72 T C -0.742 173.960 174.700 0.002 0.000 1.042 72 T CA 1.146 63.248 62.100 0.003 0.000 1.140 72 T CB -0.465 68.405 68.868 0.004 0.000 0.870 72 T HN 0.326 nan 8.240 nan 0.000 0.445 73 P HA 0.059 nan 4.420 nan 0.000 0.220 73 P C 1.274 178.569 177.300 -0.008 0.000 1.152 73 P CA 0.958 64.056 63.100 -0.002 0.000 0.812 73 P CB 0.052 31.753 31.700 0.001 0.000 0.792 74 K N -0.062 120.334 120.400 -0.005 0.000 2.032 74 K HA -0.091 4.229 4.320 -0.000 0.000 0.209 74 K C 2.242 178.834 176.600 -0.013 0.000 1.048 74 K CA 1.382 57.663 56.287 -0.010 0.000 0.927 74 K CB -0.498 32.001 32.500 -0.002 0.000 0.712 74 K HN 0.162 nan 8.250 nan 0.000 0.441 75 I N 0.676 121.242 120.570 -0.006 0.000 2.353 75 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 75 I C 2.395 178.511 176.117 -0.002 0.000 1.119 75 I CA 0.739 62.037 61.300 -0.004 0.000 1.417 75 I CB -0.327 37.674 38.000 0.001 0.000 1.078 75 I HN 0.119 nan 8.210 nan 0.000 0.421 76 A N 1.160 123.979 122.820 -0.002 0.000 1.978 76 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 76 A C 2.267 179.850 177.584 -0.002 0.000 1.170 76 A CA 1.623 53.661 52.037 0.001 0.000 0.636 76 A CB -0.753 18.247 19.000 0.000 0.000 0.810 76 A HN 0.426 nan 8.150 nan 0.000 0.448 77 I N -0.665 119.895 120.570 -0.016 0.000 2.235 77 I HA -0.161 4.008 4.170 -0.000 0.000 0.241 77 I C 1.900 177.997 176.117 -0.033 0.000 1.085 77 I CA 1.241 62.524 61.300 -0.028 0.000 1.378 77 I CB -0.473 37.496 38.000 -0.052 0.000 1.076 77 I HN 0.221 nan 8.210 nan 0.000 0.415 78 D N 0.786 121.162 120.400 -0.042 0.000 2.149 78 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 78 D C 2.369 178.672 176.300 0.004 0.000 0.990 78 D CA 1.326 55.298 54.000 -0.048 0.000 0.839 78 D CB -0.013 40.769 40.800 -0.030 0.000 0.948 78 D HN 0.159 nan 8.370 nan 0.000 0.460 79 V N 1.233 121.159 119.914 0.020 0.000 2.307 79 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 79 V C 2.622 178.763 176.094 0.078 0.000 1.045 79 V CA 1.044 63.372 62.300 0.047 0.000 1.024 79 V CB -0.366 31.478 31.823 0.036 0.000 0.651 79 V HN 0.175 nan 8.190 nan 0.000 0.449 80 L N 0.151 121.413 121.223 0.064 0.000 2.275 80 L HA -0.085 4.254 4.340 -0.000 0.000 0.215 80 L C 2.453 179.401 176.870 0.131 0.000 1.119 80 L CA 1.109 55.997 54.840 0.080 0.000 0.790 80 L CB -0.576 41.512 42.059 0.048 0.000 0.919 80 L HN 0.356 nan 8.230 nan 0.000 0.443 81 A N -0.545 122.365 122.820 0.149 0.000 2.167 81 A HA -0.009 4.311 4.320 -0.000 0.000 0.214 81 A C 1.950 179.854 177.584 0.534 0.000 1.151 81 A CA 1.431 53.648 52.037 0.299 0.000 0.735 81 A CB -0.264 18.738 19.000 0.005 0.000 0.802 81 A HN 0.334 nan 8.150 nan 0.000 0.467 82 V N -4.841 115.313 119.914 0.399 0.000 3.473 82 V HA 0.250 4.369 4.120 -0.000 0.000 0.253 82 V C 1.890 178.291 176.094 0.512 0.000 1.340 82 V CA 0.298 62.938 62.300 0.567 0.000 1.103 82 V CB -0.587 31.415 31.823 0.298 0.000 0.881 82 V HN 0.273 nan 8.190 nan 0.000 0.451 83 L N 0.507 121.903 121.223 0.288 0.000 2.068 83 L HA -0.006 4.334 4.340 -0.000 0.000 0.204 83 L C 2.659 179.620 176.870 0.152 0.000 1.076 83 L CA 1.503 56.463 54.840 0.200 0.000 0.753 83 L CB -0.404 41.732 42.059 0.129 0.000 0.910 83 L HN 0.256 nan 8.230 nan 0.000 0.439 84 V N 0.144 120.139 119.914 0.134 0.000 2.307 84 V HA -0.135 3.985 4.120 -0.000 0.000 0.245 84 V C -0.234 175.896 176.094 0.060 0.000 1.045 84 V CA 1.736 64.092 62.300 0.094 0.000 1.024 84 V CB -1.832 30.052 31.823 0.101 0.000 0.651 84 V HN 0.321 nan 8.190 nan 0.000 0.449 85 P HA -0.144 nan 4.420 nan 0.000 0.216 85 P C 1.926 179.176 177.300 -0.083 0.000 1.150 85 P CA 1.134 64.221 63.100 -0.021 0.000 0.837 85 P CB -0.058 31.637 31.700 -0.008 0.000 0.786 86 L N -0.329 120.841 121.223 -0.088 0.000 2.093 86 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 86 L C 2.212 179.059 176.870 -0.038 0.000 1.085 86 L CA 1.884 56.651 54.840 -0.122 0.000 0.755 86 L CB -1.472 40.667 42.059 0.134 0.000 0.904 86 L HN -0.124 nan 8.230 nan 0.000 0.435 87 A N -0.412 122.394 122.820 -0.023 0.000 1.933 87 A HA -0.102 4.217 4.320 -0.000 0.000 0.218 87 A C 2.418 179.911 177.584 -0.151 0.000 1.175 87 A CA 1.765 53.760 52.037 -0.070 0.000 0.628 87 A CB -1.062 17.896 19.000 -0.069 0.000 0.814 87 A HN 0.579 nan 8.150 nan 0.000 0.444 88 A N -1.872 120.844 122.820 -0.173 0.000 1.930 88 A HA 0.096 4.415 4.320 -0.000 0.000 0.215 88 A C 1.902 179.389 177.584 -0.162 0.000 1.176 88 A CA 1.145 53.062 52.037 -0.200 0.000 0.632 88 A CB -0.606 18.345 19.000 -0.081 0.000 0.819 88 A HN 0.477 nan 8.150 nan 0.000 0.445 89 F N -0.102 119.666 119.950 -0.304 0.000 2.333 89 F HA -0.018 4.509 4.527 -0.000 0.000 0.300 89 F C 1.661 177.212 175.800 -0.415 0.000 1.083 89 F CA 1.260 58.936 58.000 -0.540 0.000 1.395 89 F CB 0.080 38.766 39.000 -0.524 0.000 1.056 89 F HN 0.122 nan 8.300 nan 0.000 0.529 90 L N -2.057 119.116 121.223 -0.083 0.000 2.590 90 L HA 0.025 4.364 4.340 -0.000 0.000 0.181 90 L C 2.079 178.880 176.870 -0.115 0.000 1.134 90 L CA 0.229 55.022 54.840 -0.078 0.000 0.850 90 L CB -0.755 41.281 42.059 -0.038 0.000 1.172 90 L HN -0.126 nan 8.230 nan 0.000 0.498 91 L N -0.464 120.691 121.223 -0.114 0.000 2.017 91 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 91 L C 0.924 177.722 176.870 -0.120 0.000 1.073 91 L CA 1.028 55.805 54.840 -0.106 0.000 0.745 91 L CB -0.176 41.820 42.059 -0.105 0.000 0.894 91 L HN 0.271 nan 8.230 nan 0.000 0.432 92 D N -0.099 120.207 120.400 -0.156 0.000 2.277 92 D HA 0.172 4.812 4.640 -0.000 0.000 0.249 92 D C 0.205 176.413 176.300 -0.153 0.000 1.134 92 D CA 0.159 54.085 54.000 -0.123 0.000 0.863 92 D CB 1.689 42.427 40.800 -0.103 0.000 1.143 92 D HN 0.152 nan 8.370 nan 0.000 0.458 93 G N 1.868 110.603 108.800 -0.110 0.000 4.331 93 G HA2 0.160 4.120 3.960 -0.000 0.000 0.299 93 G HA3 0.160 4.120 3.960 -0.000 0.000 0.299 93 G C 0.166 175.023 174.900 -0.072 0.000 1.158 93 G CA -0.305 44.716 45.100 -0.131 0.000 0.916 93 G HN 0.392 nan 8.290 nan 0.000 0.553 94 S N -0.579 115.111 115.700 -0.016 0.000 2.704 94 S HA 0.648 5.118 4.470 -0.000 0.000 0.305 94 S C -1.976 172.691 174.600 0.111 0.000 1.107 94 S CA -1.371 56.849 58.200 0.033 0.000 0.993 94 S CB 2.303 65.528 63.200 0.041 0.000 1.110 94 S HN -0.114 nan 8.310 nan 0.000 0.534 95 P HA 0.155 nan 4.420 nan 0.000 0.239 95 P C -0.536 176.850 177.300 0.143 0.000 1.184 95 P CA 0.834 64.022 63.100 0.147 0.000 0.760 95 P CB -0.178 31.562 31.700 0.067 0.000 0.884 96 D N -0.343 120.138 120.400 0.135 0.000 2.514 96 D HA 0.104 4.744 4.640 -0.000 0.000 0.267 96 D C 0.372 176.769 176.300 0.163 0.000 1.165 96 D CA -0.605 53.438 54.000 0.071 0.000 0.958 96 D CB -0.054 40.776 40.800 0.049 0.000 0.992 96 D HN 0.176 nan 8.370 nan 0.000 0.506 97 W N 1.354 122.645 121.300 -0.014 0.000 3.728 97 W HA 0.061 4.721 4.660 -0.000 0.000 0.210 97 W C 1.080 177.616 176.519 0.029 0.000 1.105 97 W CA 0.253 57.592 57.345 -0.009 0.000 1.561 97 W CB -0.936 28.435 29.460 -0.148 0.000 0.718 97 W HN 0.215 nan 8.180 nan 0.000 0.847 98 S N 2.154 117.136 115.700 -1.196 0.000 2.469 98 S HA -0.163 4.306 4.470 -0.000 0.000 0.238 98 S C 1.844 176.146 174.600 -0.497 0.000 0.998 98 S CA 1.247 58.714 58.200 -1.222 0.000 0.957 98 S CB -1.089 61.360 63.200 -1.252 0.000 0.764 98 S HN 0.304 nan 8.310 nan 0.000 0.514 99 L N -0.724 120.323 121.223 -0.292 0.000 2.187 99 L HA -0.112 4.228 4.340 -0.000 0.000 0.213 99 L C 2.126 178.853 176.870 -0.239 0.000 1.100 99 L CA 1.382 56.087 54.840 -0.226 0.000 0.765 99 L CB -0.797 41.144 42.059 -0.197 0.000 0.904 99 L HN 0.309 nan 8.230 nan 0.000 0.437 100 Y N -1.375 118.795 120.300 -0.217 0.000 2.571 100 Y HA -0.139 4.410 4.550 -0.000 0.000 0.294 100 Y C 2.505 178.206 175.900 -0.332 0.000 1.141 100 Y CA 0.471 58.456 58.100 -0.191 0.000 1.308 100 Y CB -0.603 37.802 38.460 -0.091 0.000 1.002 100 Y HN 0.221 nan 8.280 nan 0.000 0.551 101 C N -0.520 118.569 119.300 -0.352 0.000 2.472 101 C HA -0.005 4.455 4.460 -0.000 0.000 0.278 101 C C 2.762 177.296 174.990 -0.760 0.000 1.447 101 C CA 0.699 59.214 59.018 -0.838 0.000 1.773 101 C CB -1.588 25.642 27.740 -0.850 0.000 1.793 101 C HN 0.600 nan 8.230 nan 0.000 0.544 102 A N 0.420 123.020 122.820 -0.367 0.000 2.178 102 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 102 A C 1.895 179.395 177.584 -0.141 0.000 1.157 102 A CA 1.200 53.124 52.037 -0.188 0.000 0.689 102 A CB -0.440 18.468 19.000 -0.154 0.000 0.787 102 A HN 0.424 nan 8.150 nan 0.000 0.465 103 V N -1.362 118.416 119.914 -0.227 0.000 3.488 103 V HA -0.147 3.973 4.120 -0.000 0.000 0.273 103 V C 1.263 177.361 176.094 0.008 0.000 1.209 103 V CA 0.540 62.771 62.300 -0.115 0.000 1.179 103 V CB -1.229 30.534 31.823 -0.100 0.000 0.842 103 V HN 0.809 nan 8.190 nan 0.000 0.515 104 W N -0.841 120.476 121.300 0.028 0.000 3.256 104 W HA 0.301 4.961 4.660 -0.000 0.000 0.269 104 W C 1.670 178.189 176.519 0.001 0.000 1.310 104 W CA -0.546 56.810 57.345 0.018 0.000 1.673 104 W CB -0.640 28.904 29.460 0.140 0.000 1.115 104 W HN 0.340 nan 8.180 nan 0.000 0.686 105 L N 0.038 121.358 121.223 0.162 0.000 2.362 105 L HA -0.131 4.209 4.340 -0.000 0.000 0.219 105 L C 1.912 178.800 176.870 0.029 0.000 1.134 105 L CA 0.886 55.776 54.840 0.084 0.000 0.807 105 L CB -0.399 41.683 42.059 0.038 0.000 0.927 105 L HN -0.110 nan 8.230 nan 0.000 0.447 106 L N -1.258 119.975 121.223 0.017 0.000 2.558 106 L HA -0.028 4.312 4.340 -0.000 0.000 0.225 106 L C 2.306 179.136 176.870 -0.067 0.000 1.128 106 L CA 0.105 54.916 54.840 -0.048 0.000 0.868 106 L CB -0.388 41.647 42.059 -0.041 0.000 1.006 106 L HN 0.118 nan 8.230 nan 0.000 0.454 107 K N 0.768 121.155 120.400 -0.021 0.000 2.103 107 K HA -0.057 4.262 4.320 -0.000 0.000 0.204 107 K C -0.356 176.228 176.600 -0.027 0.000 1.052 107 K CA 1.163 57.421 56.287 -0.048 0.000 0.945 107 K CB -1.103 31.364 32.500 -0.055 0.000 0.722 107 K HN 0.267 nan 8.250 nan 0.000 0.443 108 P HA -0.029 nan 4.420 nan 0.000 0.223 108 P C 1.096 178.354 177.300 -0.069 0.000 1.151 108 P CA 0.841 63.943 63.100 0.005 0.000 0.787 108 P CB -0.040 31.685 31.700 0.040 0.000 0.788 109 L N -1.427 119.659 121.223 -0.230 0.000 2.610 109 L HA 0.059 4.399 4.340 -0.000 0.000 0.232 109 L C 2.582 179.253 176.870 -0.332 0.000 1.149 109 L CA 0.530 55.015 54.840 -0.591 0.000 0.872 109 L CB -0.556 41.090 42.059 -0.688 0.000 0.992 109 L HN -0.020 nan 8.230 nan 0.000 0.447 110 R N 0.928 121.344 120.500 -0.140 0.000 2.033 110 R HA -0.032 4.308 4.340 -0.000 0.000 0.219 110 R C 0.388 176.690 176.300 0.004 0.000 1.223 110 R CA 0.864 56.927 56.100 -0.062 0.000 0.971 110 R CB 0.148 30.418 30.300 -0.050 0.000 0.855 110 R HN 0.256 nan 8.270 nan 0.000 0.452 111 D N 1.591 122.005 120.400 0.024 0.000 2.934 111 D HA 0.042 4.681 4.640 -0.000 0.000 0.237 111 D C -0.706 175.654 176.300 0.101 0.000 1.158 111 D CA 0.317 54.350 54.000 0.055 0.000 0.971 111 D CB 0.535 41.361 40.800 0.044 0.000 1.123 111 D HN 0.024 nan 8.370 nan 0.000 0.467 112 S N -0.800 114.993 115.700 0.155 0.000 2.546 112 S HA 0.295 4.765 4.470 -0.000 0.000 0.274 112 S C 0.835 175.597 174.600 0.270 0.000 1.121 112 S CA -0.598 57.757 58.200 0.258 0.000 0.887 112 S CB 1.766 65.246 63.200 0.467 0.000 1.094 112 S HN 0.084 nan 8.310 nan 0.000 0.474 113 T N 3.279 117.971 114.554 0.230 0.000 3.060 113 T HA 0.112 4.462 4.350 -0.000 0.000 0.249 113 T C 1.175 175.989 174.700 0.190 0.000 1.079 113 T CA 0.069 62.275 62.100 0.177 0.000 1.013 113 T CB -0.283 68.656 68.868 0.119 0.000 0.975 113 T HN 0.586 nan 8.240 nan 0.000 0.518 114 F N 1.379 121.370 119.950 0.068 0.000 2.206 114 F HA 0.117 4.644 4.527 -0.000 0.000 0.298 114 F C 1.303 177.010 175.800 -0.155 0.000 1.090 114 F CA 0.699 58.632 58.000 -0.112 0.000 1.323 114 F CB -0.299 38.502 39.000 -0.333 0.000 1.028 114 F HN 0.103 nan 8.300 nan 0.000 0.492 115 F N 0.971 120.960 119.950 0.065 0.000 2.293 115 F HA 0.057 4.584 4.527 -0.000 0.000 0.297 115 F C -0.348 175.412 175.800 -0.067 0.000 1.089 115 F CA 0.533 58.524 58.000 -0.015 0.000 1.377 115 F CB -2.302 36.753 39.000 0.092 0.000 1.051 115 F HN -0.025 nan 8.300 nan 0.000 0.511 116 P HA -0.071 nan 4.420 nan 0.000 0.221 116 P C 1.848 179.124 177.300 -0.042 0.000 1.150 116 P CA 1.148 64.271 63.100 0.038 0.000 0.800 116 P CB 0.024 31.754 31.700 0.050 0.000 0.787 117 V N 0.419 120.278 119.914 -0.092 0.000 2.270 117 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 117 V C 2.665 178.619 176.094 -0.234 0.000 1.043 117 V CA 1.445 63.663 62.300 -0.137 0.000 1.014 117 V CB -1.306 30.452 31.823 -0.109 0.000 0.645 117 V HN 0.013 nan 8.190 nan 0.000 0.447 118 L N 1.147 122.140 121.223 -0.383 0.000 2.079 118 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 118 L C 2.287 179.024 176.870 -0.222 0.000 1.081 118 L CA 2.350 56.959 54.840 -0.385 0.000 0.752 118 L CB -1.149 40.593 42.059 -0.529 0.000 0.896 118 L HN 0.303 nan 8.230 nan 0.000 0.433 119 G N -0.730 107.993 108.800 -0.128 0.000 2.459 119 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 119 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 119 G C 1.695 176.537 174.900 -0.097 0.000 1.183 119 G CA 0.815 45.875 45.100 -0.066 0.000 0.776 119 G HN 0.409 nan 8.290 nan 0.000 0.552 120 R N -0.179 120.252 120.500 -0.116 0.000 2.189 120 R HA 0.029 4.369 4.340 -0.000 0.000 0.223 120 R C 2.517 178.714 176.300 -0.171 0.000 1.092 120 R CA 0.732 56.761 56.100 -0.120 0.000 0.989 120 R CB -0.250 29.987 30.300 -0.105 0.000 0.876 120 R HN 0.354 nan 8.270 nan 0.000 0.457 121 V N 0.704 120.463 119.914 -0.259 0.000 2.346 121 V HA -0.140 3.979 4.120 -0.000 0.000 0.244 121 V C 1.587 177.540 176.094 -0.235 0.000 1.037 121 V CA 1.206 63.292 62.300 -0.357 0.000 1.029 121 V CB -0.174 31.207 31.823 -0.735 0.000 0.663 121 V HN 0.159 nan 8.190 nan 0.000 0.454 122 L N 0.116 121.235 121.223 -0.172 0.000 2.682 122 L HA 0.243 4.582 4.340 -0.000 0.000 0.240 122 L C 1.505 178.333 176.870 -0.070 0.000 1.178 122 L CA 1.167 55.952 54.840 -0.091 0.000 0.970 122 L CB -0.489 41.547 42.059 -0.038 0.000 1.179 122 L HN 0.289 nan 8.230 nan 0.000 0.435 123 A N -1.734 121.035 122.820 -0.086 0.000 1.933 123 A HA 0.155 4.475 4.320 -0.000 0.000 0.198 123 A C 1.826 179.369 177.584 -0.069 0.000 1.617 123 A CA -0.079 51.919 52.037 -0.065 0.000 1.039 123 A CB 0.041 19.007 19.000 -0.056 0.000 1.066 123 A HN 0.261 nan 8.150 nan 0.000 0.484 124 N N 0.466 119.114 118.700 -0.087 0.000 2.459 124 N HA -0.029 4.711 4.740 -0.000 0.000 0.181 124 N C 0.629 176.092 175.510 -0.078 0.000 1.046 124 N CA 0.984 53.986 53.050 -0.080 0.000 0.904 124 N CB 0.195 38.627 38.487 -0.091 0.000 0.964 124 N HN 0.450 nan 8.380 nan 0.000 0.444 125 E N -0.669 119.476 120.200 -0.092 0.000 2.601 125 E HA 0.276 4.625 4.350 -0.000 0.000 0.219 125 E C 1.382 177.927 176.600 -0.092 0.000 0.964 125 E CA -0.098 56.248 56.400 -0.090 0.000 1.050 125 E CB 0.319 29.956 29.700 -0.104 0.000 1.068 125 E HN 0.119 nan 8.360 nan 0.000 0.496 126 A N 2.015 124.787 122.820 -0.080 0.000 1.927 126 A HA -0.283 4.037 4.320 -0.000 0.000 0.220 126 A C 2.210 179.751 177.584 -0.072 0.000 1.185 126 A CA 1.987 53.982 52.037 -0.069 0.000 0.639 126 A CB -0.599 18.372 19.000 -0.048 0.000 0.820 126 A HN 0.157 nan 8.150 nan 0.000 0.451 127 R N -0.483 119.978 120.500 -0.064 0.000 2.113 127 R HA -0.221 4.119 4.340 -0.000 0.000 0.244 127 R C 1.740 177.994 176.300 -0.077 0.000 1.142 127 R CA 2.072 58.136 56.100 -0.059 0.000 0.953 127 R CB -0.371 29.899 30.300 -0.050 0.000 0.860 127 R HN 0.617 nan 8.270 nan 0.000 0.438 128 N N 0.377 119.020 118.700 -0.096 0.000 2.250 128 N HA -0.090 4.650 4.740 -0.000 0.000 0.181 128 N C 1.930 177.327 175.510 -0.189 0.000 1.017 128 N CA 0.848 53.824 53.050 -0.123 0.000 0.866 128 N CB -0.146 38.270 38.487 -0.117 0.000 0.985 128 N HN 0.244 nan 8.380 nan 0.000 0.429 129 L N 0.856 121.951 121.223 -0.214 0.000 2.017 129 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 129 L C 1.928 178.633 176.870 -0.275 0.000 1.073 129 L CA 1.001 55.638 54.840 -0.340 0.000 0.745 129 L CB -0.338 41.568 42.059 -0.254 0.000 0.894 129 L HN 0.069 nan 8.230 nan 0.000 0.432 130 I N -0.508 119.981 120.570 -0.135 0.000 3.001 130 I HA -0.104 4.066 4.170 -0.000 0.000 0.268 130 I C 2.391 178.469 176.117 -0.064 0.000 1.267 130 I CA 0.849 62.109 61.300 -0.067 0.000 1.472 130 I CB -0.676 37.305 38.000 -0.031 0.000 1.089 130 I HN 0.220 nan 8.210 nan 0.000 0.468 131 G N 0.708 109.451 108.800 -0.096 0.000 2.464 131 G HA2 -0.080 3.879 3.960 -0.000 0.000 0.217 131 G HA3 -0.080 3.879 3.960 -0.000 0.000 0.217 131 G C 1.633 176.486 174.900 -0.080 0.000 1.138 131 G CA 0.474 45.529 45.100 -0.075 0.000 0.793 131 G HN 0.251 nan 8.290 nan 0.000 0.539 132 V N 1.048 120.865 119.914 -0.161 0.000 2.323 132 V HA -0.135 3.985 4.120 -0.000 0.000 0.244 132 V C 3.080 179.180 176.094 0.009 0.000 1.041 132 V CA 2.215 64.415 62.300 -0.166 0.000 1.025 132 V CB -1.026 30.496 31.823 -0.501 0.000 0.656 132 V HN 0.332 nan 8.190 nan 0.000 0.451 133 T N 0.890 115.453 114.554 0.016 0.000 2.720 133 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 133 T C 1.978 176.780 174.700 0.170 0.000 1.037 133 T CA 2.292 64.478 62.100 0.143 0.000 1.144 133 T CB -0.559 68.375 68.868 0.110 0.000 0.864 133 T HN 0.765 nan 8.240 nan 0.000 0.444 134 T N 0.696 115.304 114.554 0.091 0.000 2.995 134 T HA 0.079 4.429 4.350 -0.000 0.000 0.269 134 T C 1.896 176.648 174.700 0.087 0.000 1.091 134 T CA 0.502 62.650 62.100 0.080 0.000 1.128 134 T CB -0.433 68.455 68.868 0.034 0.000 0.891 134 T HN 0.200 nan 8.240 nan 0.000 0.492 135 L N -0.125 121.150 121.223 0.087 0.000 2.109 135 L HA 0.257 4.597 4.340 -0.000 0.000 0.207 135 L C 2.118 179.064 176.870 0.127 0.000 1.086 135 L CA 1.273 56.160 54.840 0.079 0.000 0.760 135 L CB -0.820 41.269 42.059 0.050 0.000 0.910 135 L HN 0.243 nan 8.230 nan 0.000 0.437 136 F N 0.296 120.281 119.950 0.058 0.000 2.102 136 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 136 F C 2.252 178.102 175.800 0.084 0.000 1.105 136 F CA 1.850 59.902 58.000 0.086 0.000 1.239 136 F CB -0.823 38.256 39.000 0.132 0.000 0.991 136 F HN 0.155 nan 8.300 nan 0.000 0.474 137 G N -0.118 108.875 108.800 0.323 0.000 2.491 137 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.218 137 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.218 137 G C 1.751 176.733 174.900 0.136 0.000 1.180 137 G CA 1.371 46.606 45.100 0.224 0.000 0.774 137 G HN 0.336 nan 8.290 nan 0.000 0.562 138 V N 0.399 120.368 119.914 0.091 0.000 2.261 138 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 138 V C 3.073 179.211 176.094 0.073 0.000 1.047 138 V CA 1.705 64.050 62.300 0.074 0.000 1.015 138 V CB -0.474 31.375 31.823 0.043 0.000 0.642 138 V HN 0.259 nan 8.190 nan 0.000 0.446 139 V N -0.229 119.685 119.914 -0.000 0.000 2.427 139 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 139 V C 2.270 178.307 176.094 -0.095 0.000 1.051 139 V CA 2.007 64.274 62.300 -0.056 0.000 1.048 139 V CB -0.545 31.209 31.823 -0.115 0.000 0.666 139 V HN 0.547 nan 8.190 nan 0.000 0.456 140 L N -0.912 120.220 121.223 -0.151 0.000 2.017 140 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 140 L C 2.283 179.181 176.870 0.046 0.000 1.073 140 L CA 2.059 56.820 54.840 -0.132 0.000 0.745 140 L CB -0.322 41.669 42.059 -0.114 0.000 0.894 140 L HN 0.317 nan 8.230 nan 0.000 0.432 141 F N 0.168 120.116 119.950 -0.002 0.000 2.128 141 F HA -0.061 4.466 4.527 -0.000 0.000 0.295 141 F C 2.409 178.233 175.800 0.041 0.000 1.100 141 F CA 1.282 59.305 58.000 0.038 0.000 1.260 141 F CB -0.318 38.706 39.000 0.039 0.000 1.009 141 F HN 0.134 nan 8.300 nan 0.000 0.476 142 A N -0.287 122.685 122.820 0.252 0.000 1.908 142 A HA -0.167 4.152 4.320 -0.000 0.000 0.218 142 A C 2.248 179.871 177.584 0.064 0.000 1.181 142 A CA 2.122 54.254 52.037 0.160 0.000 0.627 142 A CB -1.340 17.731 19.000 0.118 0.000 0.818 142 A HN 0.280 nan 8.150 nan 0.000 0.445 143 V N -0.425 119.515 119.914 0.043 0.000 2.323 143 V HA -0.172 3.948 4.120 -0.000 0.000 0.244 143 V C 3.050 179.213 176.094 0.116 0.000 1.041 143 V CA 1.727 64.068 62.300 0.069 0.000 1.025 143 V CB -1.169 30.673 31.823 0.032 0.000 0.656 143 V HN 0.612 nan 8.190 nan 0.000 0.451 144 A N -0.269 122.588 122.820 0.063 0.000 1.986 144 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 144 A C 2.179 179.740 177.584 -0.038 0.000 1.171 144 A CA 2.205 54.282 52.037 0.068 0.000 0.640 144 A CB -0.588 18.379 19.000 -0.055 0.000 0.811 144 A HN 0.474 nan 8.150 nan 0.000 0.451 145 L N -0.600 120.527 121.223 -0.160 0.000 2.046 145 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 145 L C 2.718 179.605 176.870 0.028 0.000 1.077 145 L CA 2.047 56.818 54.840 -0.114 0.000 0.747 145 L CB -0.455 41.555 42.059 -0.082 0.000 0.896 145 L HN 0.333 nan 8.230 nan 0.000 0.432 146 A N -0.823 122.013 122.820 0.028 0.000 1.968 146 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 146 A C 2.413 179.970 177.584 -0.045 0.000 1.169 146 A CA 1.362 53.407 52.037 0.014 0.000 0.638 146 A CB -0.963 18.047 19.000 0.016 0.000 0.812 146 A HN 0.537 nan 8.150 nan 0.000 0.446 147 A N -0.912 121.876 122.820 -0.052 0.000 1.858 147 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 147 A C 2.154 179.599 177.584 -0.231 0.000 1.190 147 A CA 1.720 53.579 52.037 -0.295 0.000 0.617 147 A CB -0.999 17.857 19.000 -0.240 0.000 0.827 147 A HN 0.799 nan 8.150 nan 0.000 0.443 148 Y N 0.744 120.988 120.300 -0.093 0.000 2.165 148 Y HA -0.197 4.352 4.550 -0.000 0.000 0.286 148 Y C 2.231 178.100 175.900 -0.052 0.000 1.155 148 Y CA 2.022 60.113 58.100 -0.016 0.000 1.164 148 Y CB -0.384 38.085 38.460 0.014 0.000 0.978 148 Y HN 0.056 nan 8.280 nan 0.000 0.513 149 V N 0.596 120.527 119.914 0.028 0.000 2.343 149 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 149 V C 2.359 178.357 176.094 -0.161 0.000 1.051 149 V CA 2.212 64.478 62.300 -0.056 0.000 1.036 149 V CB -0.610 31.239 31.823 0.045 0.000 0.654 149 V HN 0.472 nan 8.190 nan 0.000 0.451 150 I N -0.440 120.022 120.570 -0.179 0.000 2.233 150 I HA -0.136 4.034 4.170 -0.000 0.000 0.243 150 I C 1.626 177.608 176.117 -0.225 0.000 1.093 150 I CA 1.518 62.701 61.300 -0.195 0.000 1.380 150 I CB -0.057 37.806 38.000 -0.229 0.000 1.067 150 I HN 0.284 nan 8.210 nan 0.000 0.413 151 E N 0.256 120.278 120.200 -0.297 0.000 2.815 151 E HA 0.084 4.434 4.350 -0.000 0.000 0.211 151 E C 1.149 177.668 176.600 -0.135 0.000 1.004 151 E CA -0.210 56.055 56.400 -0.226 0.000 1.173 151 E CB 0.386 29.895 29.700 -0.319 0.000 1.163 151 E HN 0.393 nan 8.360 nan 0.000 0.449 152 R N -0.360 119.997 120.500 -0.237 0.000 2.240 152 R HA 0.056 4.396 4.340 -0.000 0.000 0.203 152 R C 0.394 176.602 176.300 -0.153 0.000 1.011 152 R CA 0.709 56.648 56.100 -0.268 0.000 1.007 152 R CB 0.194 30.123 30.300 -0.619 0.000 0.911 152 R HN -0.049 nan 8.270 nan 0.000 0.468 153 D N 0.159 120.484 120.400 -0.125 0.000 2.395 153 D HA 0.211 4.851 4.640 -0.000 0.000 0.213 153 D C 1.224 177.494 176.300 -0.051 0.000 1.110 153 D CA 0.170 54.123 54.000 -0.079 0.000 0.835 153 D CB 0.600 41.355 40.800 -0.075 0.000 0.965 153 D HN 0.315 nan 8.370 nan 0.000 0.505 154 I N -0.515 120.028 120.570 -0.044 0.000 3.650 154 I HA 0.048 4.218 4.170 -0.000 0.000 0.261 154 I C 0.491 176.609 176.117 0.001 0.000 1.154 154 I CA 0.114 61.401 61.300 -0.022 0.000 1.418 154 I CB 0.602 38.584 38.000 -0.030 0.000 1.539 154 I HN -0.317 nan 8.210 nan 0.000 0.449 155 Q N 2.734 122.549 119.800 0.026 0.000 2.788 155 Q HA 0.245 4.585 4.340 -0.000 0.000 0.285 155 Q C -2.057 173.962 176.000 0.032 0.000 1.063 155 Q CA -1.562 54.267 55.803 0.042 0.000 0.958 155 Q CB 1.172 29.963 28.738 0.089 0.000 1.211 155 Q HN 0.172 nan 8.270 nan 0.000 0.478 156 P HA -0.062 nan 4.420 nan 0.000 0.269 156 P C -0.126 177.175 177.300 0.001 0.000 1.376 156 P CA 0.763 63.863 63.100 0.001 0.000 0.775 156 P CB 0.308 32.003 31.700 -0.008 0.000 1.345 157 E N -1.000 119.192 120.200 -0.013 0.000 2.603 157 E HA 0.121 4.471 4.350 -0.000 0.000 0.224 157 E C 1.459 178.012 176.600 -0.078 0.000 0.896 157 E CA 0.020 56.400 56.400 -0.033 0.000 1.224 157 E CB 0.494 30.174 29.700 -0.033 0.000 1.206 157 E HN 0.155 nan 8.360 nan 0.000 0.576 158 K N -0.259 120.068 120.400 -0.121 0.000 2.329 158 K HA 0.212 4.531 4.320 -0.000 0.000 0.198 158 K C 0.016 176.282 176.600 -0.557 0.000 1.085 158 K CA 0.437 56.532 56.287 -0.320 0.000 0.961 158 K CB 0.691 32.978 32.500 -0.355 0.000 0.971 158 K HN -0.069 nan 8.250 nan 0.000 0.502 159 F N 0.260 120.201 119.950 -0.014 0.000 2.542 159 F HA 0.297 4.824 4.527 -0.000 0.000 0.323 159 F C 0.736 176.520 175.800 -0.027 0.000 1.411 159 F CA -0.799 57.187 58.000 -0.023 0.000 1.124 159 F CB 1.732 40.656 39.000 -0.127 0.000 1.331 159 F HN 0.010 nan 8.300 nan 0.000 0.560 160 G N -0.175 108.727 108.800 0.170 0.000 3.274 160 G HA2 0.315 4.275 3.960 -0.000 0.000 0.250 160 G HA3 0.315 4.275 3.960 -0.000 0.000 0.250 160 G C -0.157 174.967 174.900 0.373 0.000 1.024 160 G CA 0.151 45.345 45.100 0.157 0.000 0.840 160 G HN 0.360 nan 8.290 nan 0.000 0.522 161 S N -0.595 115.350 115.700 0.408 0.000 2.537 161 S HA 0.445 4.914 4.470 -0.000 0.000 0.271 161 S C 0.778 175.481 174.600 0.172 0.000 1.148 161 S CA -0.726 57.629 58.200 0.259 0.000 0.868 161 S CB 1.185 64.454 63.200 0.115 0.000 1.115 161 S HN -0.172 nan 8.310 nan 0.000 0.461 162 I N 1.066 121.583 120.570 -0.088 0.000 2.145 162 I HA -0.070 4.099 4.170 -0.000 0.000 0.244 162 I C -0.732 175.412 176.117 0.044 0.000 1.075 162 I CA 1.239 62.488 61.300 -0.086 0.000 1.332 162 I CB -2.765 35.097 38.000 -0.230 0.000 1.033 162 I HN 0.522 nan 8.210 nan 0.000 0.410 163 P HA -0.175 nan 4.420 nan 0.000 0.216 163 P C 1.747 179.143 177.300 0.160 0.000 1.150 163 P CA 1.482 64.648 63.100 0.110 0.000 0.837 163 P CB -0.081 31.663 31.700 0.074 0.000 0.786 164 Q N -1.162 118.720 119.800 0.138 0.000 2.172 164 Q HA -0.025 4.314 4.340 -0.000 0.000 0.200 164 Q C 2.141 178.287 176.000 0.244 0.000 0.964 164 Q CA 1.403 57.286 55.803 0.133 0.000 0.855 164 Q CB -0.486 28.275 28.738 0.038 0.000 0.918 164 Q HN 0.190 nan 8.270 nan 0.000 0.444 165 A N 0.265 123.270 122.820 0.308 0.000 1.935 165 A HA -0.065 4.255 4.320 -0.000 0.000 0.214 165 A C 1.960 179.814 177.584 0.451 0.000 1.178 165 A CA 0.693 53.019 52.037 0.482 0.000 0.640 165 A CB -0.279 18.979 19.000 0.430 0.000 0.825 165 A HN 0.251 nan 8.150 nan 0.000 0.447 166 M N -1.260 118.510 119.600 0.284 0.000 2.213 166 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 166 M C 2.099 178.573 176.300 0.290 0.000 1.062 166 M CA 1.369 56.808 55.300 0.232 0.000 1.105 166 M CB -0.257 32.455 32.600 0.186 0.000 1.385 166 M HN 0.819 nan 8.290 nan 0.000 0.417 167 W N -0.019 121.382 121.300 0.168 0.000 2.355 167 W HA -0.292 4.368 4.660 -0.001 0.000 0.309 167 W C 2.016 178.660 176.519 0.207 0.000 1.206 167 W CA 1.418 58.859 57.345 0.160 0.000 1.284 167 W CB -0.769 28.764 29.460 0.122 0.000 1.145 167 W HN 0.409 nan 8.180 nan 0.000 0.502 168 W N 1.876 123.199 121.300 0.038 0.000 2.402 168 W HA -0.067 4.593 4.660 -0.000 0.000 0.286 168 W C 2.389 178.886 176.519 -0.037 0.000 1.221 168 W CA 3.058 60.390 57.345 -0.021 0.000 1.257 168 W CB -0.655 28.971 29.460 0.277 0.000 1.120 168 W HN -0.057 nan 8.180 nan 0.000 0.551 169 A N 0.099 122.909 122.820 -0.017 0.000 1.858 169 A HA -0.180 4.139 4.320 -0.000 0.000 0.216 169 A C 2.018 179.417 177.584 -0.309 0.000 1.190 169 A CA 2.710 54.598 52.037 -0.249 0.000 0.617 169 A CB -1.231 17.757 19.000 -0.020 0.000 0.827 169 A HN 0.177 nan 8.150 nan 0.000 0.443 170 V N -0.486 119.330 119.914 -0.163 0.000 2.237 170 V HA -0.229 3.890 4.120 -0.000 0.000 0.245 170 V C 2.489 178.425 176.094 -0.265 0.000 1.046 170 V CA 1.847 64.088 62.300 -0.098 0.000 1.007 170 V CB -1.254 30.564 31.823 -0.008 0.000 0.638 170 V HN 0.317 nan 8.190 nan 0.000 0.445 171 V N 0.625 120.259 119.914 -0.467 0.000 2.313 171 V HA -0.356 3.764 4.120 -0.000 0.000 0.253 171 V C 2.522 178.342 176.094 -0.456 0.000 1.070 171 V CA 2.955 64.915 62.300 -0.568 0.000 1.057 171 V CB -1.041 30.364 31.823 -0.697 0.000 0.653 171 V HN 0.724 nan 8.190 nan 0.000 0.450 172 T N -0.658 113.575 114.554 -0.535 0.000 2.866 172 T HA -0.021 4.329 4.350 -0.000 0.000 0.250 172 T C 1.785 176.260 174.700 -0.375 0.000 1.033 172 T CA 1.082 62.873 62.100 -0.514 0.000 1.145 172 T CB -0.325 68.031 68.868 -0.853 0.000 0.866 172 T HN 0.294 nan 8.240 nan 0.000 0.434 173 L N 2.495 123.492 121.223 -0.377 0.000 2.187 173 L HA -0.044 4.296 4.340 -0.000 0.000 0.213 173 L C 2.204 179.049 176.870 -0.041 0.000 1.100 173 L CA 1.604 56.295 54.840 -0.248 0.000 0.765 173 L CB -0.635 41.209 42.059 -0.359 0.000 0.904 173 L HN 0.336 nan 8.230 nan 0.000 0.437 174 S N -2.433 113.272 115.700 0.008 0.000 2.593 174 S HA 0.017 4.487 4.470 -0.000 0.000 0.217 174 S C 0.984 175.559 174.600 -0.042 0.000 0.966 174 S CA 0.400 58.690 58.200 0.148 0.000 0.914 174 S CB -1.001 62.275 63.200 0.128 0.000 0.776 174 S HN 0.660 nan 8.310 nan 0.000 0.523 175 T N -1.449 112.986 114.554 -0.199 0.000 4.096 175 T HA -0.248 4.102 4.350 -0.000 0.000 0.343 175 T C 0.676 175.217 174.700 -0.265 0.000 0.756 175 T CA 1.390 63.314 62.100 -0.295 0.000 1.914 175 T CB -2.900 65.691 68.868 -0.461 0.000 1.873 175 T HN 0.493 nan 8.240 nan 0.000 0.850 176 T N 0.566 114.962 114.554 -0.264 0.000 2.739 176 T HA 0.449 4.798 4.350 -0.000 0.000 0.246 176 T C 1.797 176.303 174.700 -0.324 0.000 1.058 176 T CA 0.873 62.778 62.100 -0.325 0.000 1.184 176 T CB -0.895 67.686 68.868 -0.479 0.000 0.887 176 T HN 2.136 nan 8.240 nan 0.000 0.408 177 G N 0.869 109.449 108.800 -0.366 0.000 2.470 177 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.286 177 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.286 177 G C 0.322 175.165 174.900 -0.095 0.000 1.115 177 G CA 0.097 45.069 45.100 -0.214 0.000 1.122 177 G HN 0.353 nan 8.290 nan 0.000 0.522 178 Y N -0.056 120.211 120.300 -0.055 0.000 2.030 178 Y HA 0.110 4.660 4.550 -0.001 0.000 0.274 178 Y C 2.568 178.500 175.900 0.053 0.000 1.153 178 Y CA 2.454 60.564 58.100 0.018 0.000 1.115 178 Y CB -0.405 38.100 38.460 0.076 0.000 0.969 178 Y HN 1.729 nan 8.280 nan 0.000 0.488 179 G N -0.371 108.588 108.800 0.264 0.000 2.455 179 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.169 179 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.169 179 G C 0.097 175.107 174.900 0.183 0.000 1.074 179 G CA 0.293 45.507 45.100 0.190 0.000 0.796 179 G HN 0.486 nan 8.290 nan 0.000 0.489 180 D N -1.140 119.398 120.400 0.230 0.000 2.457 180 D HA 0.067 4.707 4.640 -0.000 0.000 0.254 180 D C 1.024 177.420 176.300 0.161 0.000 1.097 180 D CA 1.077 55.184 54.000 0.177 0.000 0.870 180 D CB -0.002 40.906 40.800 0.179 0.000 1.253 180 D HN 0.687 nan 8.370 nan 0.000 0.500 181 T N 0.215 114.910 114.554 0.236 0.000 2.801 181 T HA 0.685 5.035 4.350 -0.000 0.000 0.306 181 T C -0.022 174.842 174.700 0.273 0.000 1.020 181 T CA -0.613 61.570 62.100 0.140 0.000 0.948 181 T CB 0.929 69.878 68.868 0.135 0.000 0.962 181 T HN 0.060 nan 8.240 nan 0.000 0.465 182 I N 4.312 125.011 120.570 0.215 0.000 2.512 182 I HA 0.350 4.520 4.170 -0.000 0.000 0.287 182 I C -2.531 173.706 176.117 0.200 0.000 1.069 182 I CA -2.886 58.557 61.300 0.238 0.000 1.056 182 I CB 2.823 40.926 38.000 0.171 0.000 1.229 182 I HN 0.357 nan 8.210 nan 0.000 0.429 183 P HA 0.027 nan 4.420 nan 0.000 0.263 183 P C -0.045 177.227 177.300 -0.046 0.000 1.195 183 P CA 0.220 63.231 63.100 -0.149 0.000 0.762 183 P CB 0.722 32.207 31.700 -0.358 0.000 0.799 184 Q N 2.193 121.974 119.800 -0.032 0.000 2.204 184 Q HA 0.005 4.345 4.340 -0.000 0.000 0.198 184 Q C 0.874 176.867 176.000 -0.012 0.000 0.946 184 Q CA 0.455 56.257 55.803 -0.001 0.000 0.859 184 Q CB 0.174 28.923 28.738 0.019 0.000 0.946 184 Q HN 0.451 nan 8.270 nan 0.000 0.474 185 S N -0.860 114.812 115.700 -0.046 0.000 2.593 185 S HA 0.023 4.492 4.470 -0.000 0.000 0.269 185 S C 0.715 175.325 174.600 0.018 0.000 1.334 185 S CA -0.570 57.626 58.200 -0.007 0.000 1.015 185 S CB 0.300 63.477 63.200 -0.037 0.000 0.912 185 S HN 0.381 nan 8.310 nan 0.000 0.541 186 F N 3.496 123.412 119.950 -0.056 0.000 2.069 186 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 186 F C 2.287 178.056 175.800 -0.052 0.000 1.113 186 F CA 2.220 60.194 58.000 -0.043 0.000 1.214 186 F CB -0.996 37.984 39.000 -0.033 0.000 0.978 186 F HN 0.692 nan 8.300 nan 0.000 0.474 187 A N 0.308 123.153 122.820 0.041 0.000 1.908 187 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 187 A C 2.461 179.936 177.584 -0.182 0.000 1.181 187 A CA 1.839 53.834 52.037 -0.070 0.000 0.627 187 A CB -1.878 17.137 19.000 0.025 0.000 0.818 187 A HN 0.565 nan 8.150 nan 0.000 0.445 188 G N -0.932 107.749 108.800 -0.197 0.000 2.408 188 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 188 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 188 G C 1.760 176.531 174.900 -0.214 0.000 1.150 188 G CA 0.794 45.731 45.100 -0.272 0.000 0.776 188 G HN 0.558 nan 8.290 nan 0.000 0.542 189 R N -0.301 120.074 120.500 -0.209 0.000 2.115 189 R HA 0.029 4.369 4.340 -0.000 0.000 0.230 189 R C 2.621 178.814 176.300 -0.179 0.000 1.111 189 R CA 0.819 56.826 56.100 -0.155 0.000 0.976 189 R CB -0.289 29.918 30.300 -0.156 0.000 0.870 189 R HN 0.312 nan 8.270 nan 0.000 0.445 190 V N 1.197 120.928 119.914 -0.305 0.000 2.307 190 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 190 V C 2.152 178.174 176.094 -0.121 0.000 1.045 190 V CA 1.443 63.583 62.300 -0.267 0.000 1.024 190 V CB -0.366 31.233 31.823 -0.373 0.000 0.651 190 V HN 0.228 nan 8.190 nan 0.000 0.449 191 L N 0.647 121.818 121.223 -0.086 0.000 2.056 191 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 191 L C 2.503 179.421 176.870 0.080 0.000 1.078 191 L CA 2.073 56.911 54.840 -0.003 0.000 0.749 191 L CB -0.767 41.297 42.059 0.008 0.000 0.901 191 L HN 0.227 nan 8.230 nan 0.000 0.433 192 A N -0.387 122.519 122.820 0.144 0.000 1.917 192 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 192 A C 2.337 179.975 177.584 0.090 0.000 1.182 192 A CA 1.842 54.056 52.037 0.295 0.000 0.633 192 A CB -1.660 17.544 19.000 0.341 0.000 0.819 192 A HN 0.542 nan 8.150 nan 0.000 0.448 193 G N -0.714 108.099 108.800 0.021 0.000 2.418 193 G HA2 0.003 3.963 3.960 -0.000 0.000 0.217 193 G HA3 0.003 3.963 3.960 -0.000 0.000 0.217 193 G C 1.725 176.606 174.900 -0.031 0.000 1.158 193 G CA 1.395 46.483 45.100 -0.019 0.000 0.771 193 G HN 0.890 nan 8.290 nan 0.000 0.545 194 A N 0.047 122.853 122.820 -0.024 0.000 2.019 194 A HA 0.123 4.443 4.320 -0.000 0.000 0.219 194 A C 2.533 180.088 177.584 -0.049 0.000 1.164 194 A CA 1.731 53.751 52.037 -0.029 0.000 0.644 194 A CB -0.342 18.646 19.000 -0.019 0.000 0.805 194 A HN 0.284 nan 8.150 nan 0.000 0.449 195 V N -0.476 119.398 119.914 -0.066 0.000 2.453 195 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 195 V C 2.517 178.515 176.094 -0.160 0.000 1.048 195 V CA 2.003 64.213 62.300 -0.151 0.000 1.049 195 V CB -0.747 30.903 31.823 -0.288 0.000 0.672 195 V HN 0.563 nan 8.190 nan 0.000 0.457 196 M N -1.321 118.201 119.600 -0.130 0.000 2.254 196 M HA -0.107 4.373 4.480 -0.000 0.000 0.265 196 M C 2.269 178.514 176.300 -0.092 0.000 1.066 196 M CA 1.691 56.916 55.300 -0.124 0.000 1.123 196 M CB -0.273 32.267 32.600 -0.101 0.000 1.388 196 M HN 0.286 nan 8.290 nan 0.000 0.425 197 M N -0.121 119.440 119.600 -0.066 0.000 2.098 197 M HA -0.123 4.357 4.480 -0.000 0.000 0.262 197 M C 2.371 178.653 176.300 -0.030 0.000 1.072 197 M CA 1.844 57.118 55.300 -0.043 0.000 1.133 197 M CB -0.323 32.258 32.600 -0.032 0.000 1.344 197 M HN 0.322 nan 8.290 nan 0.000 0.414 198 S N -0.359 115.319 115.700 -0.037 0.000 2.474 198 S HA -0.042 4.428 4.470 -0.000 0.000 0.235 198 S C 1.817 176.412 174.600 -0.007 0.000 0.997 198 S CA 1.000 59.186 58.200 -0.023 0.000 0.949 198 S CB -1.039 62.136 63.200 -0.041 0.000 0.766 198 S HN 0.573 nan 8.310 nan 0.000 0.517 199 G N 1.679 110.458 108.800 -0.035 0.000 2.484 199 G HA2 0.055 4.014 3.960 -0.000 0.000 0.218 199 G HA3 0.055 4.014 3.960 -0.000 0.000 0.218 199 G C 1.260 176.187 174.900 0.046 0.000 1.130 199 G CA 0.596 45.691 45.100 -0.008 0.000 0.784 199 G HN 0.601 nan 8.290 nan 0.000 0.543 200 I N 0.936 121.517 120.570 0.019 0.000 2.406 200 I HA 0.055 4.225 4.170 -0.000 0.000 0.249 200 I C 2.973 179.165 176.117 0.125 0.000 1.122 200 I CA 0.772 62.102 61.300 0.050 0.000 1.431 200 I CB -0.220 37.783 38.000 0.006 0.000 1.087 200 I HN 0.182 nan 8.210 nan 0.000 0.424 201 G N 1.149 110.007 108.800 0.097 0.000 2.414 201 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.215 201 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.215 201 G C 1.710 176.706 174.900 0.160 0.000 1.188 201 G CA 0.476 45.637 45.100 0.102 0.000 0.783 201 G HN 0.318 nan 8.290 nan 0.000 0.537 202 I N -0.792 119.896 120.570 0.196 0.000 2.614 202 I HA 0.046 4.215 4.170 -0.000 0.000 0.258 202 I C 2.086 178.449 176.117 0.409 0.000 1.189 202 I CA 0.586 62.061 61.300 0.291 0.000 1.462 202 I CB 0.042 38.233 38.000 0.320 0.000 1.092 202 I HN 0.195 nan 8.210 nan 0.000 0.442 203 F N -0.267 119.793 119.950 0.184 0.000 2.569 203 F HA 0.130 4.657 4.527 -0.000 0.000 0.295 203 F C 2.103 177.995 175.800 0.153 0.000 1.115 203 F CA 0.948 59.038 58.000 0.150 0.000 1.450 203 F CB 0.208 39.247 39.000 0.066 0.000 1.107 203 F HN 0.028 nan 8.300 nan 0.000 0.563 204 G N -0.818 108.145 108.800 0.272 0.000 2.762 204 G HA2 0.008 3.968 3.960 -0.000 0.000 0.209 204 G HA3 0.008 3.968 3.960 -0.000 0.000 0.209 204 G C 1.523 176.503 174.900 0.134 0.000 1.134 204 G CA -0.003 45.204 45.100 0.178 0.000 0.781 204 G HN 0.262 nan 8.290 nan 0.000 0.528 205 L N -0.838 120.463 121.223 0.131 0.000 2.083 205 L HA -0.011 4.329 4.340 -0.000 0.000 0.209 205 L C 2.561 179.438 176.870 0.012 0.000 1.083 205 L CA 0.878 55.747 54.840 0.048 0.000 0.752 205 L CB -0.224 41.843 42.059 0.013 0.000 0.899 205 L HN 0.308 nan 8.230 nan 0.000 0.433 206 W N -0.558 120.730 121.300 -0.020 0.000 2.363 206 W HA -0.194 4.465 4.660 -0.001 0.000 0.296 206 W C 2.603 179.102 176.519 -0.033 0.000 1.212 206 W CA 1.308 58.623 57.345 -0.050 0.000 1.260 206 W CB -0.226 29.158 29.460 -0.126 0.000 1.131 206 W HN 0.091 nan 8.180 nan 0.000 0.530 207 A N 0.019 122.960 122.820 0.203 0.000 2.015 207 A HA 0.012 4.331 4.320 -0.000 0.000 0.219 207 A C 2.169 179.812 177.584 0.098 0.000 1.163 207 A CA 1.699 53.814 52.037 0.131 0.000 0.646 207 A CB -1.326 17.730 19.000 0.095 0.000 0.806 207 A HN 0.308 nan 8.150 nan 0.000 0.448 208 G N 0.553 109.394 108.800 0.068 0.000 2.414 208 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.215 208 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.215 208 G C 1.398 176.310 174.900 0.019 0.000 1.188 208 G CA 1.107 46.225 45.100 0.030 0.000 0.783 208 G HN 0.371 nan 8.290 nan 0.000 0.537 209 I N 0.961 121.525 120.570 -0.009 0.000 2.208 209 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 209 I C 2.727 178.861 176.117 0.029 0.000 1.097 209 I CA 0.981 62.261 61.300 -0.032 0.000 1.363 209 I CB -1.299 36.628 38.000 -0.123 0.000 1.051 209 I HN 0.133 nan 8.210 nan 0.000 0.413 210 L N 0.731 122.017 121.223 0.105 0.000 2.395 210 L HA 0.016 4.356 4.340 -0.000 0.000 0.218 210 L C 2.578 179.620 176.870 0.286 0.000 1.130 210 L CA 0.649 55.620 54.840 0.218 0.000 0.826 210 L CB -0.527 41.734 42.059 0.338 0.000 0.941 210 L HN 0.157 nan 8.230 nan 0.000 0.451 211 A N -0.706 122.218 122.820 0.172 0.000 2.167 211 A HA -0.047 4.272 4.320 -0.000 0.000 0.214 211 A C 2.160 179.824 177.584 0.133 0.000 1.151 211 A CA 1.492 53.615 52.037 0.143 0.000 0.735 211 A CB -0.431 18.609 19.000 0.067 0.000 0.802 211 A HN 0.356 nan 8.150 nan 0.000 0.467 212 T N -1.441 113.183 114.554 0.117 0.000 3.039 212 T HA 0.153 4.502 4.350 -0.000 0.000 0.250 212 T C 1.966 176.759 174.700 0.154 0.000 1.052 212 T CA 0.663 62.845 62.100 0.137 0.000 1.125 212 T CB -0.140 68.766 68.868 0.063 0.000 0.908 212 T HN 0.419 nan 8.240 nan 0.000 0.473 213 G N 1.309 110.138 108.800 0.048 0.000 2.453 213 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.215 213 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.215 213 G C 1.103 175.899 174.900 -0.175 0.000 1.201 213 G CA 0.421 45.440 45.100 -0.135 0.000 0.784 213 G HN 0.449 nan 8.290 nan 0.000 0.545 214 F N -0.490 119.487 119.950 0.045 0.000 2.407 214 F HA 0.093 4.620 4.527 -0.000 0.000 0.299 214 F C 2.209 178.045 175.800 0.059 0.000 1.097 214 F CA 0.630 58.648 58.000 0.029 0.000 1.422 214 F CB -0.416 38.605 39.000 0.036 0.000 1.067 214 F HN 0.274 nan 8.300 nan 0.000 0.539 215 Y N 1.014 121.396 120.300 0.137 0.000 2.163 215 Y HA -0.126 4.424 4.550 -0.000 0.000 0.288 215 Y C 1.751 177.669 175.900 0.030 0.000 1.136 215 Y CA 1.267 59.411 58.100 0.074 0.000 1.147 215 Y CB -0.314 38.178 38.460 0.055 0.000 0.987 215 Y HN -0.128 nan 8.280 nan 0.000 0.509 216 Q N 1.714 121.415 119.800 -0.165 0.000 2.380 216 Q HA -0.026 4.314 4.340 -0.000 0.000 0.254 216 Q C 0.154 176.037 176.000 -0.195 0.000 0.927 216 Q CA 0.610 56.252 55.803 -0.268 0.000 0.950 216 Q CB 0.077 28.766 28.738 -0.083 0.000 1.206 216 Q HN 0.749 nan 8.270 nan 0.000 0.414 217 E N -0.893 119.195 120.200 -0.187 0.000 2.717 217 E HA -0.034 4.316 4.350 -0.000 0.000 0.204 217 E C 1.582 178.121 176.600 -0.103 0.000 0.911 217 E CA 0.641 56.971 56.400 -0.117 0.000 1.370 217 E CB 0.426 30.084 29.700 -0.069 0.000 1.315 217 E HN 0.247 nan 8.360 nan 0.000 0.643 218 V N -0.195 119.658 119.914 -0.103 0.000 3.129 218 V HA 0.148 4.268 4.120 -0.000 0.000 0.259 218 V C 1.655 177.679 176.094 -0.116 0.000 1.116 218 V CA 0.681 62.934 62.300 -0.078 0.000 1.127 218 V CB -0.384 31.418 31.823 -0.034 0.000 0.742 218 V HN 0.012 nan 8.190 nan 0.000 0.474 219 R N 1.042 121.414 120.500 -0.212 0.000 2.404 219 R HA 0.240 4.579 4.340 -0.000 0.000 0.236 219 R C 1.020 177.232 176.300 -0.146 0.000 1.044 219 R CA 0.174 56.142 56.100 -0.221 0.000 1.133 219 R CB -0.210 29.832 30.300 -0.431 0.000 1.142 219 R HN 0.547 nan 8.270 nan 0.000 0.512 220 R N -1.255 119.179 120.500 -0.110 0.000 2.613 220 R HA 0.152 4.492 4.340 -0.000 0.000 0.361 220 R C 1.211 177.480 176.300 -0.052 0.000 1.072 220 R CA -0.010 56.044 56.100 -0.076 0.000 1.089 220 R CB 1.131 31.386 30.300 -0.075 0.000 1.343 220 R HN 0.098 nan 8.270 nan 0.000 0.571 221 G N -0.455 108.317 108.800 -0.048 0.000 2.921 221 G HA2 -0.060 3.899 3.960 -0.000 0.000 0.213 221 G HA3 -0.060 3.899 3.960 -0.000 0.000 0.213 221 G C 0.628 175.513 174.900 -0.025 0.000 1.143 221 G CA 0.021 45.102 45.100 -0.031 0.000 0.764 221 G HN 0.107 nan 8.290 nan 0.000 0.542 222 D N 0.056 120.438 120.400 -0.030 0.000 2.388 222 D HA 0.147 4.787 4.640 -0.000 0.000 0.221 222 D C 1.601 177.889 176.300 -0.020 0.000 1.133 222 D CA -0.186 53.802 54.000 -0.021 0.000 0.831 222 D CB -0.082 40.707 40.800 -0.018 0.000 0.962 222 D HN 0.304 nan 8.370 nan 0.000 0.502 223 F N 0.199 120.134 119.950 -0.024 0.000 2.776 223 F HA 0.433 4.960 4.527 -0.000 0.000 0.300 223 F C 1.809 177.600 175.800 -0.016 0.000 1.116 223 F CA 0.475 58.462 58.000 -0.021 0.000 1.375 223 F CB -0.165 38.819 39.000 -0.026 0.000 1.109 223 F HN 0.075 nan 8.300 nan 0.000 0.585 224 V N -1.504 118.401 119.914 -0.014 0.000 3.399 224 V HA 0.572 4.692 4.120 -0.000 0.000 0.357 224 V C 0.880 176.969 176.094 -0.009 0.000 1.480 224 V CA 0.982 63.275 62.300 -0.011 0.000 1.263 224 V CB -0.749 31.068 31.823 -0.011 0.000 1.103 224 V HN 0.546 nan 8.190 nan 0.000 0.533 225 R N -0.602 119.893 120.500 -0.009 0.000 2.383 225 R HA 0.538 4.877 4.340 -0.000 0.000 0.205 225 R C 0.971 177.268 176.300 -0.004 0.000 0.875 225 R CA 1.839 57.935 56.100 -0.006 0.000 1.039 225 R CB -0.410 29.886 30.300 -0.007 0.000 1.267 225 R HN 1.584 nan 8.270 nan 0.000 0.635 226 N N -2.663 116.034 118.700 -0.004 0.000 2.390 226 N HA 0.350 5.090 4.740 -0.000 0.000 0.259 226 N C 0.714 176.223 175.510 -0.002 0.000 1.395 226 N CA 0.677 53.725 53.050 -0.002 0.000 0.852 226 N CB -0.686 37.801 38.487 -0.000 0.000 1.371 226 N HN 0.928 nan 8.380 nan 0.000 0.491 227 W N -1.947 119.350 121.300 -0.004 0.000 4.417 227 W HA 0.545 5.205 4.660 -0.000 0.000 0.180 227 W C 1.468 177.984 176.519 -0.005 0.000 1.106 227 W CA 1.640 58.982 57.345 -0.004 0.000 1.666 227 W CB 0.248 29.704 29.460 -0.006 0.000 0.608 227 W HN 0.875 nan 8.180 nan 0.000 0.974 228 Q N 0.112 119.908 119.800 -0.006 0.000 2.149 228 Q HA 0.637 4.977 4.340 -0.000 0.000 0.221 228 Q C 1.159 177.156 176.000 -0.005 0.000 0.807 228 Q CA 1.177 56.977 55.803 -0.006 0.000 1.000 228 Q CB -0.081 28.653 28.738 -0.007 0.000 1.157 228 Q HN 1.667 nan 8.270 nan 0.000 0.487 229 L N -2.444 118.776 121.223 -0.004 0.000 3.360 229 L HA 0.815 5.155 4.340 -0.000 0.000 0.303 229 L C 2.107 178.975 176.870 -0.003 0.000 1.218 229 L CA 1.143 55.981 54.840 -0.004 0.000 1.059 229 L CB -0.368 41.688 42.059 -0.004 0.000 1.468 229 L HN 0.621 nan 8.230 nan 0.000 0.614 230 V N -1.583 118.329 119.914 -0.002 0.000 2.949 230 V HA 0.798 4.917 4.120 -0.000 0.000 0.245 230 V C 1.152 177.245 176.094 -0.001 0.000 1.086 230 V CA 1.115 63.414 62.300 -0.001 0.000 1.097 230 V CB 0.128 31.951 31.823 -0.001 0.000 0.762 230 V HN 1.204 nan 8.190 nan 0.000 0.470 231 A N -0.285 122.534 122.820 -0.001 0.000 2.357 231 A HA 0.928 5.247 4.320 -0.000 0.000 0.295 231 A C -0.440 177.143 177.584 -0.002 0.000 1.121 231 A CA 0.218 52.254 52.037 -0.001 0.000 0.742 231 A CB 0.823 19.823 19.000 -0.001 0.000 1.181 231 A HN 1.859 nan 8.150 nan 0.000 0.454 232 A N 1.166 123.985 122.820 -0.002 0.000 2.593 232 A HA 0.931 5.251 4.320 -0.000 0.000 0.290 232 A C -0.357 177.226 177.584 -0.002 0.000 1.126 232 A CA 0.031 52.067 52.037 -0.002 0.000 0.695 232 A CB 0.555 19.554 19.000 -0.002 0.000 1.290 232 A HN 2.292 nan 8.150 nan 0.000 0.414 233 V N -0.165 119.748 119.914 -0.002 0.000 2.743 233 V HA 0.808 4.928 4.120 -0.000 0.000 0.301 233 V C -0.616 175.477 176.094 -0.002 0.000 1.057 233 V CA -1.113 61.186 62.300 -0.002 0.000 1.006 233 V CB 0.240 32.062 31.823 -0.002 0.000 1.024 233 V HN 1.319 nan 8.190 nan 0.000 0.473 234 P HA 0.755 nan 4.420 nan 0.000 0.271 234 P C 0.003 177.303 177.300 -0.001 0.000 1.218 234 P CA 0.868 63.967 63.100 -0.001 0.000 0.780 234 P CB 0.518 32.217 31.700 -0.001 0.000 0.901 235 L N -1.578 119.644 121.223 -0.001 0.000 3.546 235 L HA 0.156 4.496 4.340 -0.000 0.000 0.668 235 L C 0.962 177.831 176.870 -0.002 0.000 1.139 235 L CA 1.888 56.727 54.840 -0.001 0.000 1.122 235 L CB -2.940 39.118 42.059 -0.001 0.000 1.545 235 L HN 1.469 nan 8.230 nan 0.000 0.851 236 F N -1.040 118.909 119.950 -0.002 0.000 2.619 236 F HA 0.856 5.383 4.527 -0.000 0.000 0.281 236 F C 1.315 177.114 175.800 -0.002 0.000 1.065 236 F CA 1.425 59.424 58.000 -0.002 0.000 1.304 236 F CB 0.090 39.089 39.000 -0.002 0.000 1.059 236 F HN 2.389 nan 8.300 nan 0.000 0.648 237 Q N 0.626 120.425 119.800 -0.002 0.000 2.337 237 Q HA 0.676 5.015 4.340 -0.000 0.000 0.264 237 Q C -0.239 175.760 176.000 -0.002 0.000 1.007 237 Q CA 0.170 55.971 55.803 -0.002 0.000 0.727 237 Q CB 0.652 29.388 28.738 -0.002 0.000 1.256 237 Q HN 1.143 nan 8.270 nan 0.000 0.467 238 K N 0.036 120.435 120.400 -0.002 0.000 2.703 238 K HA 0.864 5.184 4.320 -0.000 0.000 0.196 238 K C 0.755 177.354 176.600 -0.002 0.000 1.457 238 K CA 1.670 57.956 56.287 -0.002 0.000 1.115 238 K CB -0.425 32.074 32.500 -0.002 0.000 1.661 238 K HN 2.095 nan 8.250 nan 0.000 0.552 239 L N 0.000 121.222 121.223 -0.002 0.000 2.949 239 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 239 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 239 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 239 L HN 0.000 nan 8.230 nan 0.000 0.502