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 2gsy_1_N DATA FIRST_RESID 8 DATA SEQUENCE TQQIVPFIRS LLMPTTGPAS IPDDTLEKHT LRSETSTYNL TVGDTGSGLI DATA SEQUENCE VFFPGFPGSI VGAHYTLQGN GNYKFDQMLL TAQNLPASYN YCRLVSRSLT DATA SEQUENCE VRSSTLPXXX XXLNGTINAV TFQGSLSELT DVSYNGLMSA TANINDKIGN DATA SEQUENCE VLVGEGVTVL SLPTSYDLGY VRLGDPIPAI GLDPKMVATC DSSDRPRVYT DATA SEQUENCE ITAADDYQFS SQYQPGGVTI TLFSANIDAI TSLSVGGELV FRTSVHGLVL DATA SEQUENCE GATIYLIGFD GTTVITRAVA ANNGLTTGTD NLMPFNLVIP TNEITQPITS DATA SEQUENCE IKLEIVTSKS GGQAGDQMSW SARGSLAVTI HGGNYPGALR PVTLVAYERV DATA SEQUENCE ATGSVVTVAG VSNFELIPNP ELAKNLVTEY GRFDPGAMNY TKLILSERDR DATA SEQUENCE LGIKTVWPTR EYTDFREYFM EVADLNSPLK IAG 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.624 174.700 -0.127 0.000 1.109 8 T CA 0.000 62.013 62.100 -0.145 0.000 1.349 8 T CB 0.000 68.836 68.868 -0.053 0.000 0.612 9 Q N 0.459 120.165 119.800 -0.157 0.000 2.285 9 Q HA 0.867 5.207 4.340 0.000 0.000 0.269 9 Q C 0.653 176.581 176.000 -0.118 0.000 1.030 9 Q CA 0.686 56.419 55.803 -0.116 0.000 0.788 9 Q CB 0.735 29.415 28.738 -0.096 0.000 1.266 9 Q HN 2.520 nan 8.270 nan 0.000 0.438 10 Q N 0.466 120.204 119.800 -0.103 0.000 2.363 10 Q HA -0.279 4.061 4.340 0.000 0.000 0.409 10 Q C 1.131 177.054 176.000 -0.129 0.000 1.118 10 Q CA 4.478 60.219 55.803 -0.103 0.000 0.966 10 Q CB -2.621 26.068 28.738 -0.082 0.000 1.795 10 Q HN 2.313 nan 8.270 nan 0.000 0.941 11 I N -6.429 114.069 120.570 -0.120 0.000 3.519 11 I HA 0.729 4.899 4.170 0.000 0.000 0.314 11 I C -0.605 175.442 176.117 -0.116 0.000 1.273 11 I CA -0.588 60.633 61.300 -0.131 0.000 1.108 11 I CB 1.737 39.667 38.000 -0.117 0.000 1.212 11 I HN 0.654 nan 8.210 nan 0.000 0.420 12 V N 1.733 121.608 119.914 -0.064 0.000 2.419 12 V HA 0.291 4.411 4.120 0.000 0.000 0.287 12 V C -1.868 174.261 176.094 0.058 0.000 1.017 12 V CA -1.093 61.188 62.300 -0.032 0.000 0.844 12 V CB 1.091 32.873 31.823 -0.069 0.000 1.011 12 V HN 0.536 nan 8.190 nan 0.000 0.429 13 P HA -0.257 nan 4.420 nan 0.000 0.219 13 P C 1.583 178.958 177.300 0.124 0.000 1.158 13 P CA 1.687 64.835 63.100 0.080 0.000 0.895 13 P CB 0.116 31.864 31.700 0.081 0.000 0.792 14 F N -0.348 119.619 119.950 0.028 0.000 2.102 14 F HA -0.165 4.362 4.527 0.000 0.000 0.298 14 F C 2.045 177.886 175.800 0.068 0.000 1.105 14 F CA 1.293 59.311 58.000 0.030 0.000 1.239 14 F CB -0.728 38.266 39.000 -0.011 0.000 0.991 14 F HN -0.234 nan 8.300 nan 0.000 0.474 15 I N 0.649 121.225 120.570 0.010 0.000 2.208 15 I HA -0.282 3.888 4.170 0.000 0.000 0.245 15 I C 2.583 178.689 176.117 -0.020 0.000 1.097 15 I CA 1.424 62.715 61.300 -0.014 0.000 1.363 15 I CB -1.309 36.847 38.000 0.260 0.000 1.051 15 I HN 0.211 nan 8.210 nan 0.000 0.413 16 R N 0.273 120.837 120.500 0.107 0.000 2.083 16 R HA -0.198 4.142 4.340 0.000 0.000 0.237 16 R C 2.596 178.911 176.300 0.025 0.000 1.137 16 R CA 2.144 58.337 56.100 0.155 0.000 0.951 16 R CB -0.236 30.133 30.300 0.115 0.000 0.851 16 R HN 0.228 nan 8.270 nan 0.000 0.434 17 S N 0.071 115.727 115.700 -0.072 0.000 2.368 17 S HA -0.117 4.353 4.470 0.000 0.000 0.224 17 S C 1.846 176.332 174.600 -0.190 0.000 1.029 17 S CA 1.133 59.268 58.200 -0.108 0.000 0.988 17 S CB -0.248 62.898 63.200 -0.090 0.000 0.838 17 S HN 0.355 nan 8.310 nan 0.000 0.462 18 L N 1.305 122.294 121.223 -0.391 0.000 2.027 18 L HA 0.135 4.475 4.340 0.000 0.000 0.206 18 L C 1.964 178.758 176.870 -0.127 0.000 1.074 18 L CA 1.802 56.430 54.840 -0.352 0.000 0.745 18 L CB -0.449 41.274 42.059 -0.560 0.000 0.898 18 L HN 0.374 nan 8.230 nan 0.000 0.433 19 L N -1.528 119.642 121.223 -0.089 0.000 2.375 19 L HA 0.082 4.422 4.340 0.000 0.000 0.215 19 L C 0.674 177.628 176.870 0.140 0.000 1.108 19 L CA 0.316 55.172 54.840 0.026 0.000 0.830 19 L CB 0.003 41.993 42.059 -0.115 0.000 0.959 19 L HN 0.238 nan 8.230 nan 0.000 0.457 20 M N -0.538 119.120 119.600 0.096 0.000 2.389 20 M HA 0.238 4.718 4.480 0.000 0.000 0.206 20 M C -1.982 174.358 176.300 0.067 0.000 0.976 20 M CA -1.273 54.109 55.300 0.137 0.000 0.648 20 M CB 1.600 34.275 32.600 0.125 0.000 1.474 20 M HN -0.264 nan 8.290 nan 0.000 0.398 21 P HA -0.155 nan 4.420 nan 0.000 0.219 21 P C 1.359 178.660 177.300 0.001 0.000 1.146 21 P CA 1.464 64.557 63.100 -0.013 0.000 0.808 21 P CB -0.180 31.491 31.700 -0.048 0.000 0.779 22 T N -5.717 108.850 114.554 0.022 0.000 3.098 22 T HA -0.079 4.271 4.350 0.000 0.000 0.266 22 T C 1.697 176.412 174.700 0.024 0.000 1.145 22 T CA 1.384 63.497 62.100 0.022 0.000 1.092 22 T CB -1.425 67.463 68.868 0.034 0.000 0.908 22 T HN 0.016 nan 8.240 nan 0.000 0.526 23 T N 0.844 115.414 114.554 0.027 0.000 3.023 23 T HA 0.454 4.804 4.350 0.000 0.000 0.266 23 T C 0.927 175.641 174.700 0.023 0.000 1.093 23 T CA 1.047 63.162 62.100 0.024 0.000 1.129 23 T CB -0.657 68.229 68.868 0.030 0.000 0.899 23 T HN 0.990 nan 8.240 nan 0.000 0.491 24 G N 1.341 110.154 108.800 0.022 0.000 2.408 24 G HA2 0.075 4.035 3.960 0.000 0.000 0.682 24 G HA3 0.075 4.035 3.960 0.000 0.000 0.682 24 G C -3.334 171.584 174.900 0.031 0.000 1.303 24 G CA -0.964 44.154 45.100 0.030 0.000 0.966 24 G HN 0.073 nan 8.290 nan 0.000 0.560 25 P HA 0.719 nan 4.420 nan 0.000 0.283 25 P C -0.455 176.906 177.300 0.102 0.000 1.271 25 P CA 0.185 63.325 63.100 0.068 0.000 0.841 25 P CB 1.979 33.732 31.700 0.089 0.000 1.122 26 A N 0.512 123.423 122.820 0.151 0.000 2.572 26 A HA 0.601 4.921 4.320 0.000 0.000 0.295 26 A C -0.526 177.213 177.584 0.258 0.000 1.072 26 A CA -0.541 51.618 52.037 0.203 0.000 0.691 26 A CB 0.725 19.861 19.000 0.226 0.000 1.291 26 A HN 0.382 nan 8.150 nan 0.000 0.404 27 S N 0.807 116.644 115.700 0.229 0.000 2.549 27 S HA 0.360 4.830 4.470 0.000 0.000 0.279 27 S C 0.297 174.880 174.600 -0.029 0.000 1.321 27 S CA -0.158 58.147 58.200 0.176 0.000 1.054 27 S CB 0.066 63.435 63.200 0.282 0.000 0.899 27 S HN 0.463 nan 8.310 nan 0.000 0.497 28 I N 4.949 125.387 120.570 -0.219 0.000 2.598 28 I HA 0.105 4.275 4.170 0.000 0.000 0.284 28 I C -1.560 174.221 176.117 -0.559 0.000 1.140 28 I CA -1.408 59.466 61.300 -0.710 0.000 1.420 28 I CB 0.388 38.075 38.000 -0.523 0.000 1.387 28 I HN 0.427 nan 8.210 nan 0.000 0.553 29 P HA 0.109 nan 4.420 nan 0.000 0.214 29 P C -1.048 176.089 177.300 -0.272 0.000 1.807 29 P CA -0.266 62.622 63.100 -0.354 0.000 0.921 29 P CB -0.404 31.110 31.700 -0.309 0.000 1.835 30 D N -1.013 119.240 120.400 -0.245 0.000 2.541 30 D HA 0.121 4.761 4.640 0.000 0.000 0.276 30 D C 0.446 176.727 176.300 -0.033 0.000 1.190 30 D CA -0.368 53.557 54.000 -0.125 0.000 1.095 30 D CB -0.004 40.734 40.800 -0.103 0.000 1.173 30 D HN -0.175 nan 8.370 nan 0.000 0.604 31 D N -1.345 119.056 120.400 0.001 0.000 2.349 31 D HA 0.040 4.680 4.640 0.000 0.000 0.214 31 D C -0.009 176.319 176.300 0.046 0.000 1.063 31 D CA 0.320 54.333 54.000 0.022 0.000 0.847 31 D CB 0.082 40.893 40.800 0.019 0.000 0.933 31 D HN 0.274 nan 8.370 nan 0.000 0.513 32 T N 2.124 116.715 114.554 0.062 0.000 4.104 32 T HA 0.178 4.528 4.350 0.000 0.000 0.285 32 T C 0.892 175.695 174.700 0.171 0.000 1.346 32 T CA -0.091 62.079 62.100 0.118 0.000 1.158 32 T CB -0.333 68.615 68.868 0.133 0.000 1.290 32 T HN 0.033 nan 8.240 nan 0.000 0.975 33 L N 3.409 124.724 121.223 0.152 0.000 2.404 33 L HA 0.257 4.597 4.340 0.000 0.000 0.277 33 L C 0.768 177.847 176.870 0.348 0.000 1.184 33 L CA 0.045 55.026 54.840 0.235 0.000 1.013 33 L CB -0.075 42.037 42.059 0.089 0.000 1.318 33 L HN 0.378 nan 8.230 nan 0.000 0.435 34 E N 2.952 123.345 120.200 0.322 0.000 2.227 34 E HA 0.315 4.665 4.350 0.000 0.000 0.268 34 E C -0.610 176.011 176.600 0.034 0.000 0.907 34 E CA -0.956 55.502 56.400 0.098 0.000 0.786 34 E CB 2.443 31.981 29.700 -0.270 0.000 1.191 34 E HN 0.319 nan 8.360 nan 0.000 0.411 35 K N 3.473 123.642 120.400 -0.385 0.000 2.412 35 K HA 0.047 4.367 4.320 0.000 0.000 0.284 35 K C 0.229 176.746 176.600 -0.138 0.000 1.046 35 K CA 0.324 56.327 56.287 -0.474 0.000 0.999 35 K CB 0.135 32.306 32.500 -0.548 0.000 0.941 35 K HN 0.523 nan 8.250 nan 0.000 0.474 36 H N -0.226 118.781 119.070 -0.104 0.000 2.959 36 H HA 0.483 5.039 4.556 0.000 0.000 0.296 36 H C -1.072 174.288 175.328 0.053 0.000 1.421 36 H CA -0.801 55.258 56.048 0.019 0.000 1.206 36 H CB 1.927 31.793 29.762 0.173 0.000 1.891 36 H HN 0.402 nan 8.280 nan 0.000 0.573 37 T N 0.589 115.259 114.554 0.193 0.000 2.906 37 T HA 0.543 4.893 4.350 0.000 0.000 0.295 37 T C -0.888 173.953 174.700 0.234 0.000 1.061 37 T CA -0.740 61.435 62.100 0.125 0.000 1.000 37 T CB 1.110 70.057 68.868 0.131 0.000 1.103 37 T HN 0.412 nan 8.240 nan 0.000 0.486 38 L N 3.482 124.811 121.223 0.177 0.000 2.307 38 L HA 0.741 5.081 4.340 0.000 0.000 0.284 38 L C 0.025 176.976 176.870 0.136 0.000 1.023 38 L CA -0.745 54.209 54.840 0.189 0.000 0.810 38 L CB 1.595 43.761 42.059 0.179 0.000 1.231 38 L HN 0.507 nan 8.230 nan 0.000 0.423 39 R N 0.899 121.484 120.500 0.143 0.000 2.771 39 R HA 0.602 4.942 4.340 0.000 0.000 0.274 39 R C -1.294 175.120 176.300 0.190 0.000 0.987 39 R CA -0.471 55.713 56.100 0.140 0.000 0.908 39 R CB 2.498 32.849 30.300 0.085 0.000 1.213 39 R HN 0.519 nan 8.270 nan 0.000 0.468 40 S N 1.180 116.975 115.700 0.159 0.000 2.472 40 S HA 0.499 4.969 4.470 0.000 0.000 0.303 40 S C -1.112 173.602 174.600 0.190 0.000 1.099 40 S CA -0.848 57.443 58.200 0.152 0.000 1.077 40 S CB 1.476 64.729 63.200 0.089 0.000 1.031 40 S HN 0.316 nan 8.310 nan 0.000 0.487 41 E N 2.333 122.677 120.200 0.239 0.000 2.224 41 E HA 0.339 4.689 4.350 0.000 0.000 0.265 41 E C -0.401 176.297 176.600 0.164 0.000 0.878 41 E CA -0.495 56.037 56.400 0.220 0.000 0.759 41 E CB 2.030 31.915 29.700 0.308 0.000 1.164 41 E HN 0.724 nan 8.360 nan 0.000 0.414 42 T N -0.571 114.049 114.554 0.110 0.000 2.882 42 T HA 0.505 4.855 4.350 0.000 0.000 0.287 42 T C 0.311 175.065 174.700 0.090 0.000 1.014 42 T CA -0.612 61.534 62.100 0.077 0.000 1.049 42 T CB 0.967 69.860 68.868 0.041 0.000 1.001 42 T HN 0.116 nan 8.240 nan 0.000 0.525 43 S N 1.329 117.082 115.700 0.087 0.000 2.561 43 S HA 0.667 5.137 4.470 0.000 0.000 0.303 43 S C -0.318 174.306 174.600 0.040 0.000 1.110 43 S CA -0.921 57.351 58.200 0.119 0.000 1.034 43 S CB 1.400 64.751 63.200 0.253 0.000 1.010 43 S HN 1.068 nan 8.310 nan 0.000 0.482 44 T N 1.177 115.629 114.554 -0.169 0.000 2.881 44 T HA 0.717 5.067 4.350 0.000 0.000 0.291 44 T C -1.311 173.079 174.700 -0.516 0.000 0.990 44 T CA -0.521 61.460 62.100 -0.197 0.000 0.976 44 T CB 0.427 69.205 68.868 -0.150 0.000 0.970 44 T HN 0.420 nan 8.240 nan 0.000 0.438 45 Y N 1.459 121.764 120.300 0.008 0.000 2.492 45 Y HA 0.552 5.102 4.550 0.000 0.000 0.346 45 Y C -0.173 175.702 175.900 -0.041 0.000 0.997 45 Y CA -1.232 56.858 58.100 -0.016 0.000 1.025 45 Y CB 2.333 40.778 38.460 -0.024 0.000 1.263 45 Y HN 0.571 nan 8.280 nan 0.000 0.454 46 N N 3.945 122.700 118.700 0.091 0.000 2.621 46 N HA 0.383 5.123 4.740 0.000 0.000 0.237 46 N C -1.306 174.209 175.510 0.009 0.000 0.997 46 N CA -0.297 52.767 53.050 0.024 0.000 0.918 46 N CB 0.939 39.427 38.487 0.002 0.000 1.122 46 N HN 0.548 nan 8.380 nan 0.000 0.510 47 L N 0.959 122.145 121.223 -0.062 0.000 2.350 47 L HA 0.430 4.770 4.340 0.000 0.000 0.275 47 L C 0.719 177.549 176.870 -0.067 0.000 1.099 47 L CA -0.402 54.366 54.840 -0.120 0.000 0.808 47 L CB 0.814 42.612 42.059 -0.435 0.000 1.149 47 L HN 0.172 nan 8.230 nan 0.000 0.442 48 T N 1.820 116.386 114.554 0.021 0.000 2.799 48 T HA 0.340 4.690 4.350 0.000 0.000 0.286 48 T C 0.082 174.848 174.700 0.111 0.000 0.973 48 T CA -0.484 61.642 62.100 0.042 0.000 1.035 48 T CB 1.675 70.569 68.868 0.044 0.000 0.932 48 T HN 0.204 nan 8.240 nan 0.000 0.469 49 V N 3.466 123.428 119.914 0.081 0.000 2.555 49 V HA 0.461 4.581 4.120 0.000 0.000 0.286 49 V C 1.216 177.390 176.094 0.132 0.000 1.044 49 V CA -0.263 62.130 62.300 0.155 0.000 1.026 49 V CB 1.023 32.910 31.823 0.107 0.000 0.981 49 V HN 1.046 nan 8.190 nan 0.000 0.480 50 G N 2.360 111.253 108.800 0.154 0.000 2.535 50 G HA2 0.173 4.133 3.960 0.000 0.000 0.282 50 G HA3 0.173 4.133 3.960 0.000 0.000 0.282 50 G C 0.542 175.478 174.900 0.059 0.000 1.350 50 G CA -0.232 44.919 45.100 0.086 0.000 1.039 50 G HN 0.673 nan 8.290 nan 0.000 0.509 51 D N -0.508 119.910 120.400 0.030 0.000 2.158 51 D HA -0.150 4.490 4.640 0.000 0.000 0.197 51 D C 2.799 179.104 176.300 0.007 0.000 0.995 51 D CA 2.104 56.112 54.000 0.014 0.000 0.846 51 D CB -0.266 40.534 40.800 0.001 0.000 0.941 51 D HN 0.449 nan 8.370 nan 0.000 0.456 52 T N -3.577 110.976 114.554 -0.001 0.000 3.088 52 T HA 0.221 4.571 4.350 0.000 0.000 0.259 52 T C 1.667 176.365 174.700 -0.003 0.000 1.122 52 T CA 0.856 62.943 62.100 -0.021 0.000 1.095 52 T CB 0.147 68.980 68.868 -0.058 0.000 0.930 52 T HN 0.219 nan 8.240 nan 0.000 0.508 53 G N 0.219 109.046 108.800 0.045 0.000 2.160 53 G HA2 -0.188 3.772 3.960 0.000 0.000 0.251 53 G HA3 -0.188 3.772 3.960 0.000 0.000 0.251 53 G C 0.043 175.027 174.900 0.140 0.000 1.008 53 G CA 0.287 45.445 45.100 0.095 0.000 0.724 53 G HN 1.000 nan 8.290 nan 0.000 0.514 54 S N -1.327 114.410 115.700 0.061 0.000 2.546 54 S HA 0.930 5.400 4.470 0.000 0.000 0.274 54 S C 0.100 174.486 174.600 -0.357 0.000 1.121 54 S CA 0.718 58.824 58.200 -0.156 0.000 0.887 54 S CB 1.848 64.953 63.200 -0.160 0.000 1.094 54 S HN 1.935 nan 8.310 nan 0.000 0.474 55 G N 1.105 109.369 108.800 -0.894 0.000 2.488 55 G HA2 0.561 4.521 3.960 0.000 0.000 0.301 55 G HA3 0.561 4.521 3.960 0.000 0.000 0.301 55 G C -2.478 172.163 174.900 -0.432 0.000 1.339 55 G CA -0.525 44.215 45.100 -0.600 0.000 0.803 55 G HN 1.001 nan 8.290 nan 0.000 0.482 56 L N -0.128 121.129 121.223 0.056 0.000 2.464 56 L HA 0.780 5.120 4.340 0.000 0.000 0.266 56 L C -1.212 175.771 176.870 0.188 0.000 0.965 56 L CA -0.653 54.251 54.840 0.107 0.000 0.833 56 L CB 1.791 43.847 42.059 -0.006 0.000 1.296 56 L HN 0.519 nan 8.230 nan 0.000 0.405 57 I N 5.351 125.966 120.570 0.074 0.000 2.354 57 I HA 0.445 4.615 4.170 0.000 0.000 0.292 57 I C -0.654 175.225 176.117 -0.396 0.000 0.989 57 I CA -0.908 60.287 61.300 -0.175 0.000 1.188 57 I CB 1.848 39.634 38.000 -0.357 0.000 1.342 57 I HN 0.255 nan 8.210 nan 0.000 0.457 58 V N 7.292 126.928 119.914 -0.463 0.000 2.350 58 V HA 0.362 4.482 4.120 0.000 0.000 0.276 58 V C -0.273 175.342 176.094 -0.798 0.000 1.028 58 V CA -0.327 61.639 62.300 -0.555 0.000 0.860 58 V CB 0.824 32.340 31.823 -0.510 0.000 0.990 58 V HN 0.403 nan 8.190 nan 0.000 0.453 59 F N 4.098 123.775 119.950 -0.454 0.000 2.458 59 F HA 0.582 5.109 4.527 0.000 0.000 0.330 59 F C -0.011 175.469 175.800 -0.533 0.000 1.082 59 F CA -0.622 57.130 58.000 -0.414 0.000 0.995 59 F CB 1.743 40.652 39.000 -0.151 0.000 1.170 59 F HN 0.367 nan 8.300 nan 0.000 0.478 60 F N 3.615 123.738 119.950 0.287 0.000 2.334 60 F HA 0.280 4.807 4.527 0.000 0.000 0.343 60 F C -1.637 174.308 175.800 0.241 0.000 1.136 60 F CA -1.815 56.325 58.000 0.234 0.000 1.237 60 F CB 0.245 39.377 39.000 0.219 0.000 1.525 60 F HN 0.268 nan 8.300 nan 0.000 0.528 61 P HA -0.134 nan 4.420 nan 0.000 0.219 61 P C 1.389 178.793 177.300 0.174 0.000 1.146 61 P CA 1.251 64.444 63.100 0.154 0.000 0.808 61 P CB 0.316 32.061 31.700 0.074 0.000 0.779 62 G N -1.699 107.236 108.800 0.226 0.000 3.337 62 G HA2 0.048 4.008 3.960 0.000 0.000 0.246 62 G HA3 0.048 4.008 3.960 0.000 0.000 0.246 62 G C -0.163 174.891 174.900 0.257 0.000 1.131 62 G CA -0.389 44.822 45.100 0.186 0.000 0.773 62 G HN 0.152 nan 8.290 nan 0.000 0.544 63 F N 3.163 123.246 119.950 0.222 0.000 2.571 63 F HA 0.287 4.814 4.527 0.000 0.000 0.384 63 F C -1.602 174.347 175.800 0.248 0.000 1.058 63 F CA -2.449 55.684 58.000 0.221 0.000 1.200 63 F CB 1.113 40.247 39.000 0.223 0.000 1.077 63 F HN -0.054 nan 8.300 nan 0.000 0.558 64 P HA 0.320 nan 4.420 nan 0.000 0.238 64 P C -0.055 177.177 177.300 -0.113 0.000 1.794 64 P CA 0.354 63.401 63.100 -0.089 0.000 1.088 64 P CB 0.239 31.805 31.700 -0.223 0.000 1.923 65 G N 0.442 109.437 108.800 0.324 0.000 2.368 65 G HA2 -0.001 3.959 3.960 0.000 0.000 0.269 65 G HA3 -0.001 3.959 3.960 0.000 0.000 0.269 65 G C 0.226 175.385 174.900 0.432 0.000 1.291 65 G CA -0.353 44.901 45.100 0.256 0.000 0.903 65 G HN -0.040 nan 8.290 nan 0.000 0.483 66 S N -0.427 115.454 115.700 0.301 0.000 2.593 66 S HA 0.292 4.762 4.470 0.000 0.000 0.217 66 S C 0.935 175.624 174.600 0.149 0.000 0.966 66 S CA 0.075 58.392 58.200 0.195 0.000 0.914 66 S CB -0.256 63.008 63.200 0.106 0.000 0.776 66 S HN 0.349 nan 8.310 nan 0.000 0.523 67 I N 1.313 121.864 120.570 -0.031 0.000 2.337 67 I HA 0.147 4.317 4.170 0.000 0.000 0.291 67 I C 0.830 176.924 176.117 -0.039 0.000 1.046 67 I CA -0.129 61.003 61.300 -0.281 0.000 1.324 67 I CB 1.452 38.916 38.000 -0.894 0.000 1.409 67 I HN -0.060 nan 8.210 nan 0.000 0.494 68 V N 5.317 125.332 119.914 0.168 0.000 2.922 68 V HA 0.437 4.557 4.120 0.000 0.000 0.242 68 V C 0.941 177.273 176.094 0.396 0.000 1.094 68 V CA 1.055 63.544 62.300 0.314 0.000 1.106 68 V CB 0.420 32.429 31.823 0.311 0.000 0.799 68 V HN 0.961 nan 8.190 nan 0.000 0.474 69 G N -1.117 107.830 108.800 0.246 0.000 2.348 69 G HA2 0.661 4.621 3.960 0.000 0.000 0.296 69 G HA3 0.661 4.621 3.960 0.000 0.000 0.296 69 G C -1.840 173.030 174.900 -0.050 0.000 1.258 69 G CA 0.156 45.245 45.100 -0.018 0.000 0.868 69 G HN 0.657 nan 8.290 nan 0.000 0.488 70 A N -0.622 122.066 122.820 -0.219 0.000 2.549 70 A HA 0.791 5.111 4.320 0.000 0.000 0.297 70 A C -1.288 176.124 177.584 -0.286 0.000 1.061 70 A CA -0.442 51.497 52.037 -0.164 0.000 0.690 70 A CB 1.546 20.559 19.000 0.021 0.000 1.287 70 A HN 1.202 nan 8.150 nan 0.000 0.402 71 H N 1.211 119.982 119.070 -0.498 0.000 2.466 71 H HA 0.646 5.202 4.556 0.000 0.000 0.338 71 H C -1.805 173.226 175.328 -0.495 0.000 1.091 71 H CA -0.290 55.525 56.048 -0.388 0.000 1.207 71 H CB 0.911 30.494 29.762 -0.298 0.000 1.466 71 H HN 0.613 nan 8.280 nan 0.000 0.493 72 Y N 2.121 122.205 120.300 -0.359 0.000 2.425 72 Y HA 0.171 4.721 4.550 0.000 0.000 0.344 72 Y C 0.452 176.182 175.900 -0.283 0.000 0.969 72 Y CA -0.825 57.145 58.100 -0.217 0.000 1.052 72 Y CB 2.140 40.667 38.460 0.111 0.000 1.215 72 Y HN 0.582 nan 8.280 nan 0.000 0.451 73 T N 0.559 115.065 114.554 -0.080 0.000 2.922 73 T HA 0.572 4.922 4.350 0.000 0.000 0.285 73 T C -0.759 173.982 174.700 0.068 0.000 1.005 73 T CA -0.754 61.343 62.100 -0.006 0.000 1.061 73 T CB 1.396 70.254 68.868 -0.017 0.000 1.007 73 T HN 0.460 nan 8.240 nan 0.000 0.502 74 L N 1.862 123.049 121.223 -0.059 0.000 2.334 74 L HA 0.448 4.788 4.340 0.000 0.000 0.277 74 L C -0.058 176.712 176.870 -0.167 0.000 1.075 74 L CA -0.031 54.651 54.840 -0.264 0.000 0.804 74 L CB 1.146 42.988 42.059 -0.362 0.000 1.174 74 L HN 0.761 nan 8.230 nan 0.000 0.438 75 Q N 2.351 122.039 119.800 -0.188 0.000 2.297 75 Q HA 0.357 4.697 4.340 0.000 0.000 0.269 75 Q C 0.918 176.851 176.000 -0.112 0.000 1.051 75 Q CA -0.179 55.558 55.803 -0.110 0.000 0.869 75 Q CB 1.462 30.154 28.738 -0.077 0.000 1.346 75 Q HN 0.899 nan 8.270 nan 0.000 0.457 76 G N 1.652 110.407 108.800 -0.075 0.000 2.556 76 G HA2 -0.341 3.619 3.960 0.000 0.000 0.220 76 G HA3 -0.341 3.619 3.960 0.000 0.000 0.220 76 G C 0.882 175.736 174.900 -0.076 0.000 1.156 76 G CA 1.434 46.494 45.100 -0.067 0.000 0.766 76 G HN 0.844 nan 8.290 nan 0.000 0.583 77 N N 0.814 119.468 118.700 -0.077 0.000 2.515 77 N HA 0.132 4.872 4.740 0.000 0.000 0.191 77 N C 1.555 177.003 175.510 -0.103 0.000 1.182 77 N CA 1.016 54.019 53.050 -0.078 0.000 0.879 77 N CB 0.056 38.505 38.487 -0.064 0.000 0.984 77 N HN 0.586 nan 8.380 nan 0.000 0.453 78 G N 0.424 109.139 108.800 -0.141 0.000 2.176 78 G HA2 -0.256 3.704 3.960 0.000 0.000 0.253 78 G HA3 -0.256 3.704 3.960 0.000 0.000 0.253 78 G C -0.213 174.534 174.900 -0.255 0.000 0.979 78 G CA -0.189 44.798 45.100 -0.189 0.000 0.641 78 G HN 0.431 nan 8.290 nan 0.000 0.530 79 N N -0.141 118.432 118.700 -0.212 0.000 2.515 79 N HA 0.553 5.293 4.740 0.000 0.000 0.279 79 N C -0.076 175.277 175.510 -0.261 0.000 1.164 79 N CA -0.258 52.672 53.050 -0.199 0.000 0.982 79 N CB 0.448 38.873 38.487 -0.102 0.000 1.170 79 N HN 0.232 nan 8.380 nan 0.000 0.474 80 Y N 0.292 120.524 120.300 -0.113 0.000 2.301 80 Y HA 0.237 4.787 4.550 0.000 0.000 0.328 80 Y C 1.012 176.945 175.900 0.054 0.000 1.242 80 Y CA 0.104 58.186 58.100 -0.029 0.000 1.323 80 Y CB 1.016 39.432 38.460 -0.073 0.000 1.266 80 Y HN 0.195 nan 8.280 nan 0.000 0.527 81 K N 3.276 123.865 120.400 0.314 0.000 2.471 81 K HA 0.254 4.574 4.320 0.000 0.000 0.252 81 K C -1.437 175.370 176.600 0.345 0.000 0.938 81 K CA -0.802 55.647 56.287 0.269 0.000 0.796 81 K CB 0.901 33.473 32.500 0.121 0.000 1.161 81 K HN 0.559 nan 8.250 nan 0.000 0.425 82 F N 3.826 123.921 119.950 0.242 0.000 2.607 82 F HA -0.029 4.498 4.527 0.000 0.000 0.374 82 F C 0.884 176.619 175.800 -0.109 0.000 1.104 82 F CA 0.690 58.683 58.000 -0.010 0.000 1.296 82 F CB 0.802 39.821 39.000 0.031 0.000 1.085 82 F HN 0.819 nan 8.300 nan 0.000 0.584 83 D N 2.311 122.118 120.400 -0.989 0.000 2.805 83 D HA 0.107 4.747 4.640 0.000 0.000 0.271 83 D C -0.616 175.001 176.300 -1.138 0.000 1.166 83 D CA 0.920 54.459 54.000 -0.768 0.000 1.004 83 D CB 0.220 40.759 40.800 -0.436 0.000 1.136 83 D HN 0.676 nan 8.370 nan 0.000 0.444 84 Q N -0.879 118.154 119.800 -1.279 0.000 2.578 84 Q HA 0.322 4.662 4.340 0.000 0.000 0.284 84 Q C -1.093 174.642 176.000 -0.440 0.000 0.960 84 Q CA -1.036 54.279 55.803 -0.814 0.000 0.809 84 Q CB 1.105 29.643 28.738 -0.334 0.000 1.462 84 Q HN -0.047 nan 8.270 nan 0.000 0.392 85 M N 1.808 121.397 119.600 -0.018 0.000 2.243 85 M HA 0.353 4.833 4.480 0.000 0.000 0.341 85 M C -0.524 175.647 176.300 -0.216 0.000 1.130 85 M CA -0.009 55.303 55.300 0.021 0.000 1.162 85 M CB 0.007 32.673 32.600 0.110 0.000 1.497 85 M HN 0.615 nan 8.290 nan 0.000 0.456 86 L N 4.727 125.799 121.223 -0.252 0.000 2.272 86 L HA 0.550 4.890 4.340 0.000 0.000 0.289 86 L C -0.445 176.416 176.870 -0.014 0.000 1.032 86 L CA -0.372 54.188 54.840 -0.468 0.000 0.810 86 L CB 0.651 42.476 42.059 -0.389 0.000 1.205 86 L HN 0.563 nan 8.230 nan 0.000 0.422 87 L N 1.295 122.657 121.223 0.232 0.000 2.279 87 L HA 0.570 4.910 4.340 0.000 0.000 0.262 87 L C 0.523 177.598 176.870 0.342 0.000 1.019 87 L CA -0.797 54.209 54.840 0.277 0.000 0.823 87 L CB 1.924 44.119 42.059 0.226 0.000 1.358 87 L HN 0.383 nan 8.230 nan 0.000 0.432 88 T N 0.259 114.961 114.554 0.246 0.000 2.903 88 T HA 0.092 4.442 4.350 0.000 0.000 0.314 88 T C 1.139 175.931 174.700 0.154 0.000 1.078 88 T CA 0.515 62.744 62.100 0.214 0.000 1.114 88 T CB 1.401 70.392 68.868 0.205 0.000 0.987 88 T HN 0.728 nan 8.240 nan 0.000 0.548 89 A N 2.629 125.516 122.820 0.112 0.000 1.908 89 A HA -0.067 4.253 4.320 0.000 0.000 0.218 89 A C 1.029 178.650 177.584 0.062 0.000 1.181 89 A CA 1.450 53.521 52.037 0.056 0.000 0.627 89 A CB -0.365 18.660 19.000 0.041 0.000 0.818 89 A HN 0.850 nan 8.150 nan 0.000 0.445 90 Q N -1.519 118.329 119.800 0.080 0.000 2.433 90 Q HA 0.490 4.830 4.340 0.000 0.000 0.279 90 Q C -1.217 174.828 176.000 0.076 0.000 1.105 90 Q CA -0.980 54.866 55.803 0.072 0.000 0.815 90 Q CB 0.781 29.560 28.738 0.068 0.000 1.403 90 Q HN 0.137 nan 8.270 nan 0.000 0.435 91 N N 1.599 120.337 118.700 0.064 0.000 2.415 91 N HA 0.130 4.870 4.740 0.000 0.000 0.250 91 N C 0.487 176.033 175.510 0.061 0.000 1.127 91 N CA -0.007 53.078 53.050 0.059 0.000 0.945 91 N CB 0.312 38.829 38.487 0.049 0.000 1.196 91 N HN 0.765 nan 8.380 nan 0.000 0.499 92 L N 4.479 125.733 121.223 0.052 0.000 2.043 92 L HA -0.124 4.216 4.340 0.000 0.000 0.212 92 L C -0.665 176.272 176.870 0.111 0.000 1.075 92 L CA 1.269 56.160 54.840 0.086 0.000 0.752 92 L CB -1.069 40.932 42.059 -0.096 0.000 0.891 92 L HN 0.520 nan 8.230 nan 0.000 0.432 93 P HA -0.128 nan 4.420 nan 0.000 0.228 93 P C 1.084 178.385 177.300 0.003 0.000 1.151 93 P CA 1.258 64.371 63.100 0.023 0.000 0.770 93 P CB -0.019 31.687 31.700 0.010 0.000 0.786 94 A N -1.290 121.533 122.820 0.005 0.000 2.119 94 A HA 0.007 4.327 4.320 0.000 0.000 0.216 94 A C 2.009 179.548 177.584 -0.076 0.000 1.152 94 A CA 1.528 53.550 52.037 -0.024 0.000 0.708 94 A CB -0.547 18.447 19.000 -0.010 0.000 0.805 94 A HN 0.139 nan 8.150 nan 0.000 0.460 95 S N -2.767 112.863 115.700 -0.116 0.000 2.631 95 S HA 0.338 4.808 4.470 0.000 0.000 0.246 95 S C -0.418 173.829 174.600 -0.590 0.000 1.068 95 S CA -0.241 57.740 58.200 -0.366 0.000 0.995 95 S CB 0.148 63.060 63.200 -0.480 0.000 0.944 95 S HN 0.497 nan 8.310 nan 0.000 0.529 96 Y N 1.038 121.324 120.300 -0.023 0.000 2.536 96 Y HA 0.523 5.073 4.550 0.000 0.000 0.347 96 Y C 0.714 176.586 175.900 -0.047 0.000 1.000 96 Y CA -1.074 57.019 58.100 -0.011 0.000 1.051 96 Y CB 1.049 39.507 38.460 -0.003 0.000 1.259 96 Y HN -0.147 nan 8.280 nan 0.000 0.468 97 N N -0.029 118.740 118.700 0.115 0.000 2.407 97 N HA 0.086 4.826 4.740 0.000 0.000 0.182 97 N C -1.154 174.156 175.510 -0.334 0.000 1.079 97 N CA 0.520 53.495 53.050 -0.126 0.000 0.882 97 N CB 0.449 38.855 38.487 -0.135 0.000 1.106 97 N HN 0.532 nan 8.380 nan 0.000 0.461 98 Y N -1.021 119.355 120.300 0.127 0.000 2.545 98 Y HA 0.549 5.099 4.550 0.000 0.000 0.348 98 Y C -0.153 175.875 175.900 0.213 0.000 1.002 98 Y CA -1.155 57.039 58.100 0.158 0.000 1.039 98 Y CB 2.210 40.773 38.460 0.172 0.000 1.271 98 Y HN -0.108 nan 8.280 nan 0.000 0.467 99 C N 2.413 121.925 119.300 0.353 0.000 3.284 99 C HA 0.846 5.306 4.460 0.000 0.000 0.338 99 C C -1.802 173.167 174.990 -0.034 0.000 1.237 99 C CA -0.718 58.383 59.018 0.138 0.000 1.276 99 C CB 1.817 29.549 27.740 -0.014 0.000 1.601 99 C HN 1.031 nan 8.230 nan 0.000 0.494 100 R N 2.674 123.135 120.500 -0.066 0.000 2.548 100 R HA 0.660 5.000 4.340 0.000 0.000 0.280 100 R C -1.746 174.607 176.300 0.088 0.000 1.061 100 R CA -0.649 55.374 56.100 -0.129 0.000 0.915 100 R CB 1.679 31.646 30.300 -0.556 0.000 1.210 100 R HN 0.819 nan 8.270 nan 0.000 0.442 101 L N 4.716 126.011 121.223 0.120 0.000 2.319 101 L HA 0.227 4.567 4.340 0.000 0.000 0.280 101 L C 0.150 177.040 176.870 0.033 0.000 1.099 101 L CA 0.389 55.255 54.840 0.044 0.000 0.828 101 L CB 1.605 43.703 42.059 0.064 0.000 1.150 101 L HN 0.635 nan 8.230 nan 0.000 0.442 102 V N 2.562 122.454 119.914 -0.037 0.000 2.492 102 V HA 0.254 4.374 4.120 0.000 0.000 0.241 102 V C 0.567 176.720 176.094 0.099 0.000 1.041 102 V CA 1.136 63.500 62.300 0.107 0.000 1.057 102 V CB 0.032 31.912 31.823 0.095 0.000 0.711 102 V HN 0.942 nan 8.190 nan 0.000 0.468 103 S N -0.306 115.358 115.700 -0.060 0.000 2.597 103 S HA 0.716 5.186 4.470 0.000 0.000 0.274 103 S C -0.944 173.575 174.600 -0.135 0.000 1.132 103 S CA -0.917 57.238 58.200 -0.075 0.000 0.835 103 S CB 2.617 65.756 63.200 -0.101 0.000 1.092 103 S HN 0.485 nan 8.310 nan 0.000 0.457 104 R N 0.446 120.884 120.500 -0.102 0.000 2.579 104 R HA 0.669 5.009 4.340 0.000 0.000 0.260 104 R C -1.686 174.544 176.300 -0.117 0.000 1.103 104 R CA -0.002 56.030 56.100 -0.114 0.000 0.942 104 R CB 1.707 31.947 30.300 -0.101 0.000 1.251 104 R HN 1.304 nan 8.270 nan 0.000 0.450 105 S N 4.001 119.621 115.700 -0.134 0.000 2.549 105 S HA 0.777 5.247 4.470 0.000 0.000 0.280 105 S C -1.168 173.306 174.600 -0.210 0.000 1.109 105 S CA -0.799 57.284 58.200 -0.194 0.000 0.905 105 S CB 1.750 64.821 63.200 -0.216 0.000 1.081 105 S HN 0.434 nan 8.310 nan 0.000 0.477 106 L N 1.261 122.310 121.223 -0.290 0.000 2.409 106 L HA 0.690 5.030 4.340 0.000 0.000 0.262 106 L C -0.312 176.425 176.870 -0.222 0.000 0.992 106 L CA -0.469 54.199 54.840 -0.287 0.000 0.817 106 L CB 2.725 44.437 42.059 -0.577 0.000 1.350 106 L HN 0.768 nan 8.230 nan 0.000 0.411 107 T N 1.481 115.970 114.554 -0.109 0.000 2.807 107 T HA 0.675 5.025 4.350 0.000 0.000 0.279 107 T C -0.974 173.740 174.700 0.024 0.000 0.993 107 T CA -0.342 61.729 62.100 -0.049 0.000 0.970 107 T CB 1.533 70.382 68.868 -0.032 0.000 0.950 107 T HN 0.220 nan 8.240 nan 0.000 0.441 108 V N 6.146 126.090 119.914 0.051 0.000 2.443 108 V HA 0.722 4.842 4.120 0.000 0.000 0.293 108 V C -0.176 175.945 176.094 0.044 0.000 1.021 108 V CA -0.839 61.509 62.300 0.079 0.000 0.848 108 V CB 1.382 33.298 31.823 0.154 0.000 0.998 108 V HN 0.912 nan 8.190 nan 0.000 0.424 109 R N 2.313 122.819 120.500 0.011 0.000 2.692 109 R HA 0.666 5.006 4.340 0.000 0.000 0.269 109 R C -0.742 175.536 176.300 -0.037 0.000 1.030 109 R CA -0.616 55.484 56.100 -0.001 0.000 0.882 109 R CB 1.759 32.067 30.300 0.014 0.000 1.250 109 R HN 0.603 nan 8.270 nan 0.000 0.465 110 S N 0.246 115.921 115.700 -0.041 0.000 2.601 110 S HA 0.259 4.729 4.470 0.000 0.000 0.271 110 S C 0.570 175.153 174.600 -0.029 0.000 1.305 110 S CA 0.026 58.194 58.200 -0.055 0.000 1.022 110 S CB 1.477 64.646 63.200 -0.052 0.000 0.940 110 S HN 0.844 nan 8.310 nan 0.000 0.525 111 S N 0.768 116.449 115.700 -0.030 0.000 2.631 111 S HA 0.287 4.757 4.470 0.000 0.000 0.246 111 S C 0.410 175.001 174.600 -0.014 0.000 1.068 111 S CA -0.162 58.027 58.200 -0.017 0.000 0.995 111 S CB -0.082 63.108 63.200 -0.017 0.000 0.944 111 S HN 0.751 nan 8.310 nan 0.000 0.529 112 T N 2.562 117.105 114.554 -0.019 0.000 2.864 112 T HA 0.834 5.184 4.350 0.000 0.000 0.289 112 T C -1.481 173.212 174.700 -0.012 0.000 1.082 112 T CA -0.765 61.327 62.100 -0.013 0.000 1.009 112 T CB 1.739 70.600 68.868 -0.012 0.000 1.234 112 T HN 0.501 nan 8.240 nan 0.000 0.526 113 L N -1.678 119.541 121.223 -0.006 0.000 2.556 113 L HA 0.787 5.128 4.340 0.000 0.000 0.257 113 L C -2.793 174.077 176.870 -0.000 0.000 0.955 113 L CA -1.899 52.939 54.840 -0.003 0.000 0.850 113 L CB -1.063 40.996 42.059 -0.000 0.000 1.398 113 L HN 0.356 nan 8.230 nan 0.000 0.412 121 N N 1.190 119.900 118.700 0.017 0.000 2.476 121 N HA 0.590 5.331 4.740 0.000 0.000 0.257 121 N C 0.444 175.973 175.510 0.032 0.000 0.970 121 N CA 0.663 53.724 53.050 0.019 0.000 0.938 121 N CB 1.370 39.863 38.487 0.011 0.000 1.144 121 N HN 0.456 nan 8.380 nan 0.000 0.500 122 G N 1.753 110.572 108.800 0.031 0.000 2.586 122 G HA2 -0.265 3.695 3.960 0.000 0.000 0.308 122 G HA3 -0.265 3.695 3.960 0.000 0.000 0.308 122 G C -0.238 174.702 174.900 0.068 0.000 1.317 122 G CA 0.567 45.690 45.100 0.039 0.000 0.922 122 G HN 0.790 nan 8.290 nan 0.000 0.551 123 T N -3.063 111.549 114.554 0.097 0.000 2.864 123 T HA 0.696 5.046 4.350 0.000 0.000 0.299 123 T C -0.457 174.433 174.700 0.317 0.000 1.166 123 T CA -0.662 61.541 62.100 0.172 0.000 1.007 123 T CB 2.008 70.984 68.868 0.181 0.000 1.219 123 T HN 0.969 nan 8.240 nan 0.000 0.506 124 I N 1.759 122.520 120.570 0.319 0.000 2.509 124 I HA 0.506 4.676 4.170 0.000 0.000 0.293 124 I C -0.785 175.435 176.117 0.173 0.000 1.020 124 I CA -0.949 60.550 61.300 0.332 0.000 1.088 124 I CB 2.079 40.208 38.000 0.216 0.000 1.267 124 I HN 0.557 nan 8.210 nan 0.000 0.430 125 N N 3.976 122.639 118.700 -0.061 0.000 2.314 125 N HA 0.831 5.571 4.740 0.000 0.000 0.304 125 N C -1.220 174.206 175.510 -0.139 0.000 1.073 125 N CA -0.521 52.356 53.050 -0.288 0.000 0.822 125 N CB 2.315 40.312 38.487 -0.816 0.000 1.280 125 N HN 0.707 nan 8.380 nan 0.000 0.489 126 A N 0.651 123.420 122.820 -0.087 0.000 2.515 126 A HA 0.798 5.118 4.320 0.000 0.000 0.298 126 A C -1.181 176.378 177.584 -0.042 0.000 1.059 126 A CA -0.591 51.427 52.037 -0.032 0.000 0.698 126 A CB 1.009 20.026 19.000 0.028 0.000 1.289 126 A HN 0.385 nan 8.150 nan 0.000 0.404 127 V N -1.097 118.805 119.914 -0.020 0.000 3.049 127 V HA 0.806 4.926 4.120 0.000 0.000 0.309 127 V C -0.303 175.811 176.094 0.033 0.000 1.148 127 V CA -0.725 61.572 62.300 -0.005 0.000 0.990 127 V CB 1.609 33.434 31.823 0.003 0.000 1.039 127 V HN 0.809 nan 8.190 nan 0.000 0.430 128 T N 3.778 118.353 114.554 0.035 0.000 2.758 128 T HA 0.606 4.956 4.350 0.000 0.000 0.285 128 T C -0.932 173.838 174.700 0.117 0.000 0.981 128 T CA 0.084 62.222 62.100 0.063 0.000 0.965 128 T CB 0.757 69.633 68.868 0.013 0.000 0.927 128 T HN 0.661 nan 8.240 nan 0.000 0.448 129 F N 2.739 122.679 119.950 -0.018 0.000 2.436 129 F HA 0.345 4.872 4.527 0.000 0.000 0.340 129 F C 0.814 176.615 175.800 0.002 0.000 1.113 129 F CA -0.946 57.046 58.000 -0.012 0.000 1.022 129 F CB 1.461 40.454 39.000 -0.012 0.000 1.128 129 F HN 0.461 nan 8.300 nan 0.000 0.466 130 Q N 4.620 124.035 119.800 -0.641 0.000 2.404 130 Q HA 0.316 4.656 4.340 0.000 0.000 0.272 130 Q C 0.030 175.606 176.000 -0.705 0.000 0.939 130 Q CA -0.140 55.354 55.803 -0.515 0.000 0.945 130 Q CB 0.030 28.563 28.738 -0.341 0.000 1.195 130 Q HN 0.890 nan 8.270 nan 0.000 0.415 131 G N -0.625 107.644 108.800 -0.885 0.000 2.645 131 G HA2 0.384 4.344 3.960 0.000 0.000 0.292 131 G HA3 0.384 4.344 3.960 0.000 0.000 0.292 131 G C -0.900 174.088 174.900 0.146 0.000 1.415 131 G CA -0.645 44.206 45.100 -0.414 0.000 0.785 131 G HN 0.208 nan 8.290 nan 0.000 0.483 132 S N -0.625 115.241 115.700 0.277 0.000 2.669 132 S HA 0.377 4.847 4.470 0.000 0.000 0.270 132 S C 1.430 176.245 174.600 0.360 0.000 1.225 132 S CA -0.432 57.955 58.200 0.312 0.000 0.991 132 S CB 1.497 64.841 63.200 0.240 0.000 0.987 132 S HN 0.895 nan 8.310 nan 0.000 0.552 133 L N 1.749 123.134 121.223 0.271 0.000 2.021 133 L HA -0.149 4.191 4.340 0.000 0.000 0.215 133 L C 2.545 179.478 176.870 0.105 0.000 1.074 133 L CA 2.710 57.629 54.840 0.131 0.000 0.760 133 L CB -1.497 40.615 42.059 0.088 0.000 0.889 133 L HN 0.991 nan 8.230 nan 0.000 0.433 134 S N -1.935 113.856 115.700 0.151 0.000 2.507 134 S HA -0.115 4.355 4.470 0.000 0.000 0.235 134 S C 1.602 176.265 174.600 0.104 0.000 0.988 134 S CA 0.947 59.222 58.200 0.125 0.000 0.944 134 S CB -0.609 62.651 63.200 0.099 0.000 0.762 134 S HN 0.677 nan 8.310 nan 0.000 0.526 135 E N 0.437 120.735 120.200 0.164 0.000 2.371 135 E HA 0.214 4.564 4.350 0.000 0.000 0.194 135 E C -0.156 176.476 176.600 0.054 0.000 1.012 135 E CA -0.147 56.378 56.400 0.208 0.000 0.860 135 E CB -0.087 29.851 29.700 0.397 0.000 0.811 135 E HN 0.522 nan 8.360 nan 0.000 0.502 136 L N 1.983 123.048 121.223 -0.263 0.000 2.513 136 L HA -0.043 4.297 4.340 0.000 0.000 0.272 136 L C 1.775 178.519 176.870 -0.210 0.000 1.187 136 L CA 0.129 54.641 54.840 -0.547 0.000 0.895 136 L CB 0.728 42.428 42.059 -0.597 0.000 1.147 136 L HN 0.170 nan 8.230 nan 0.000 0.483 137 T N -1.883 112.574 114.554 -0.162 0.000 2.985 137 T HA -0.023 4.327 4.350 0.000 0.000 0.266 137 T C 0.432 175.091 174.700 -0.069 0.000 1.076 137 T CA 0.323 62.380 62.100 -0.071 0.000 1.135 137 T CB 0.122 68.970 68.868 -0.032 0.000 0.890 137 T HN 0.513 nan 8.240 nan 0.000 0.480 138 D N 0.773 121.116 120.400 -0.095 0.000 2.736 138 D HA 0.311 4.951 4.640 0.000 0.000 0.243 138 D C 0.240 176.503 176.300 -0.063 0.000 1.304 138 D CA -0.689 53.276 54.000 -0.058 0.000 0.934 138 D CB 2.241 43.016 40.800 -0.041 0.000 1.382 138 D HN 0.098 nan 8.370 nan 0.000 0.571 139 V N 1.400 121.310 119.914 -0.006 0.000 3.276 139 V HA 0.301 4.421 4.120 0.000 0.000 0.319 139 V C 0.766 176.932 176.094 0.120 0.000 1.427 139 V CA -0.034 62.279 62.300 0.023 0.000 1.102 139 V CB -0.479 31.390 31.823 0.078 0.000 1.020 139 V HN 0.453 nan 8.190 nan 0.000 0.456 140 S N -0.689 115.075 115.700 0.108 0.000 2.579 140 S HA 0.247 4.717 4.470 0.000 0.000 0.275 140 S C 0.869 175.546 174.600 0.129 0.000 1.345 140 S CA 0.251 58.536 58.200 0.142 0.000 1.031 140 S CB 0.620 63.870 63.200 0.082 0.000 0.892 140 S HN 0.475 nan 8.310 nan 0.000 0.529 141 Y N 2.798 123.124 120.300 0.043 0.000 2.062 141 Y HA -0.324 4.226 4.550 0.000 0.000 0.276 141 Y C 2.100 178.009 175.900 0.015 0.000 1.189 141 Y CA 2.731 60.845 58.100 0.023 0.000 1.130 141 Y CB -0.528 37.935 38.460 0.006 0.000 0.959 141 Y HN 0.725 nan 8.280 nan 0.000 0.499 142 N N -0.239 118.547 118.700 0.144 0.000 2.216 142 N HA -0.082 4.658 4.740 0.000 0.000 0.183 142 N C 2.027 177.523 175.510 -0.024 0.000 1.017 142 N CA 1.295 54.373 53.050 0.048 0.000 0.861 142 N CB -0.992 37.558 38.487 0.105 0.000 0.986 142 N HN 0.548 nan 8.380 nan 0.000 0.428 143 G N 1.707 110.503 108.800 -0.006 0.000 2.422 143 G HA2 -0.131 3.829 3.960 0.000 0.000 0.218 143 G HA3 -0.131 3.829 3.960 0.000 0.000 0.218 143 G C 1.663 176.531 174.900 -0.052 0.000 1.140 143 G CA 0.153 45.240 45.100 -0.022 0.000 0.775 143 G HN 0.198 nan 8.290 nan 0.000 0.545 144 L N 0.141 121.318 121.223 -0.077 0.000 2.064 144 L HA -0.197 4.143 4.340 0.000 0.000 0.216 144 L C 2.934 179.755 176.870 -0.081 0.000 1.077 144 L CA 1.171 55.952 54.840 -0.098 0.000 0.766 144 L CB -0.441 41.536 42.059 -0.137 0.000 0.890 144 L HN 0.215 nan 8.230 nan 0.000 0.435 145 M N -0.613 118.934 119.600 -0.089 0.000 2.530 145 M HA -0.113 4.367 4.480 0.000 0.000 0.261 145 M C 1.722 177.999 176.300 -0.039 0.000 1.067 145 M CA 1.276 56.534 55.300 -0.071 0.000 1.071 145 M CB -0.953 31.603 32.600 -0.074 0.000 1.405 145 M HN 0.294 nan 8.290 nan 0.000 0.478 146 S N -1.124 114.560 115.700 -0.028 0.000 2.593 146 S HA 0.413 4.883 4.470 0.000 0.000 0.236 146 S C 1.643 176.253 174.600 0.018 0.000 0.991 146 S CA 0.182 58.378 58.200 -0.007 0.000 0.963 146 S CB 0.026 63.222 63.200 -0.007 0.000 0.865 146 S HN 0.396 nan 8.310 nan 0.000 0.488 147 A N 1.915 124.749 122.820 0.023 0.000 2.015 147 A HA 0.169 4.489 4.320 0.000 0.000 0.219 147 A C 1.211 178.915 177.584 0.199 0.000 1.163 147 A CA 1.000 53.099 52.037 0.102 0.000 0.646 147 A CB -0.421 18.611 19.000 0.053 0.000 0.806 147 A HN 0.508 nan 8.150 nan 0.000 0.448 148 T N -3.704 110.909 114.554 0.099 0.000 2.906 148 T HA 0.627 4.977 4.350 0.000 0.000 0.295 148 T C 0.672 175.382 174.700 0.016 0.000 1.075 148 T CA -0.137 61.997 62.100 0.056 0.000 1.005 148 T CB 1.875 70.756 68.868 0.022 0.000 1.136 148 T HN 0.300 nan 8.240 nan 0.000 0.498 149 A N 0.748 123.567 122.820 -0.001 0.000 2.132 149 A HA 0.210 4.530 4.320 0.000 0.000 0.213 149 A C 0.720 178.286 177.584 -0.031 0.000 1.154 149 A CA -0.046 51.982 52.037 -0.015 0.000 0.753 149 A CB -0.729 18.262 19.000 -0.014 0.000 0.826 149 A HN 0.846 nan 8.150 nan 0.000 0.469 150 N N 0.466 119.143 118.700 -0.039 0.000 2.431 150 N HA 0.165 4.905 4.740 0.000 0.000 0.265 150 N C 0.663 176.129 175.510 -0.072 0.000 1.184 150 N CA -0.395 52.620 53.050 -0.058 0.000 0.943 150 N CB 0.879 39.326 38.487 -0.067 0.000 1.080 150 N HN 0.255 nan 8.380 nan 0.000 0.477 151 I N 2.829 123.351 120.570 -0.079 0.000 2.454 151 I HA -0.209 3.961 4.170 0.000 0.000 0.254 151 I C 1.065 177.100 176.117 -0.136 0.000 1.156 151 I CA 1.371 62.615 61.300 -0.093 0.000 1.433 151 I CB -0.089 37.861 38.000 -0.084 0.000 1.082 151 I HN 0.546 nan 8.210 nan 0.000 0.432 152 N N 0.460 119.064 118.700 -0.161 0.000 2.314 152 N HA 0.011 4.751 4.740 0.000 0.000 0.200 152 N C 0.198 175.569 175.510 -0.232 0.000 1.135 152 N CA 0.381 53.287 53.050 -0.241 0.000 0.835 152 N CB 0.045 38.376 38.487 -0.260 0.000 0.989 152 N HN 0.413 nan 8.380 nan 0.000 0.478 153 D N 0.314 120.620 120.400 -0.156 0.000 2.479 153 D HA 0.077 4.717 4.640 0.000 0.000 0.218 153 D C 0.089 176.336 176.300 -0.089 0.000 1.177 153 D CA 0.210 54.140 54.000 -0.117 0.000 0.830 153 D CB 0.886 41.639 40.800 -0.077 0.000 1.014 153 D HN 0.394 nan 8.370 nan 0.000 0.503 154 K N -0.054 120.282 120.400 -0.106 0.000 2.502 154 K HA 0.661 4.981 4.320 0.000 0.000 0.257 154 K C -1.423 175.118 176.600 -0.098 0.000 0.938 154 K CA -0.893 55.344 56.287 -0.084 0.000 0.819 154 K CB 2.669 35.129 32.500 -0.066 0.000 1.333 154 K HN -0.179 nan 8.250 nan 0.000 0.434 155 I N 0.681 121.205 120.570 -0.077 0.000 2.656 155 I HA 0.528 4.698 4.170 0.000 0.000 0.292 155 I C -1.212 174.876 176.117 -0.049 0.000 1.144 155 I CA -0.095 61.169 61.300 -0.061 0.000 1.038 155 I CB 2.462 40.434 38.000 -0.045 0.000 1.244 155 I HN 0.873 nan 8.210 nan 0.000 0.420 156 G N 4.223 113.004 108.800 -0.033 0.000 2.530 156 G HA2 0.423 4.383 3.960 0.000 0.000 0.316 156 G HA3 0.423 4.383 3.960 0.000 0.000 0.316 156 G C -0.514 174.402 174.900 0.026 0.000 1.298 156 G CA -0.460 44.623 45.100 -0.028 0.000 0.948 156 G HN 0.677 nan 8.290 nan 0.000 0.486 157 N N -0.199 118.542 118.700 0.069 0.000 2.738 157 N HA -0.168 4.572 4.740 0.000 0.000 0.249 157 N C 0.317 175.893 175.510 0.109 0.000 1.047 157 N CA 0.665 53.799 53.050 0.139 0.000 0.707 157 N CB -1.070 37.492 38.487 0.127 0.000 0.937 157 N HN 0.417 nan 8.380 nan 0.000 0.545 158 V N 1.146 121.124 119.914 0.106 0.000 2.555 158 V HA 0.107 4.227 4.120 0.000 0.000 0.286 158 V C 1.460 177.618 176.094 0.108 0.000 1.044 158 V CA -0.514 61.844 62.300 0.097 0.000 1.026 158 V CB 0.996 32.876 31.823 0.095 0.000 0.981 158 V HN 0.172 nan 8.190 nan 0.000 0.480 159 L N 4.754 126.029 121.223 0.087 0.000 2.490 159 L HA 0.055 4.395 4.340 0.000 0.000 0.274 159 L C 1.461 178.378 176.870 0.077 0.000 1.201 159 L CA -0.033 54.853 54.840 0.077 0.000 0.869 159 L CB 0.581 42.676 42.059 0.059 0.000 1.123 159 L HN 0.500 nan 8.230 nan 0.000 0.484 160 V N 3.411 123.369 119.914 0.074 0.000 2.490 160 V HA -0.192 3.928 4.120 0.000 0.000 0.250 160 V C 2.265 178.381 176.094 0.036 0.000 1.061 160 V CA 2.154 64.490 62.300 0.059 0.000 1.064 160 V CB -0.710 31.141 31.823 0.047 0.000 0.670 160 V HN 1.115 nan 8.190 nan 0.000 0.461 161 G N -0.686 108.133 108.800 0.033 0.000 2.422 161 G HA2 -0.281 3.679 3.960 0.000 0.000 0.218 161 G HA3 -0.281 3.679 3.960 0.000 0.000 0.218 161 G C 1.554 176.472 174.900 0.032 0.000 1.146 161 G CA 0.966 46.081 45.100 0.025 0.000 0.769 161 G HN 0.573 nan 8.290 nan 0.000 0.547 162 E N 0.114 120.340 120.200 0.043 0.000 2.051 162 E HA 0.270 4.620 4.350 0.000 0.000 0.189 162 E C 1.346 177.980 176.600 0.056 0.000 0.979 162 E CA 0.796 57.226 56.400 0.051 0.000 0.803 162 E CB -0.117 29.619 29.700 0.060 0.000 0.761 162 E HN 0.472 nan 8.360 nan 0.000 0.451 163 G N -0.090 108.748 108.800 0.063 0.000 2.710 163 G HA2 -0.188 3.772 3.960 0.000 0.000 0.668 163 G HA3 -0.188 3.772 3.960 0.000 0.000 0.668 163 G C -0.959 173.990 174.900 0.081 0.000 1.320 163 G CA -0.313 44.826 45.100 0.065 0.000 0.860 163 G HN 0.288 nan 8.290 nan 0.000 0.538 164 V N 0.215 120.177 119.914 0.080 0.000 2.769 164 V HA 0.825 4.945 4.120 0.000 0.000 0.312 164 V C 0.337 176.458 176.094 0.046 0.000 1.061 164 V CA -0.101 62.252 62.300 0.089 0.000 0.931 164 V CB 2.363 34.248 31.823 0.104 0.000 1.010 164 V HN 1.167 nan 8.190 nan 0.000 0.433 165 T N 3.670 118.247 114.554 0.037 0.000 2.792 165 T HA 0.524 4.874 4.350 0.000 0.000 0.280 165 T C -0.580 174.087 174.700 -0.056 0.000 0.990 165 T CA -0.309 61.719 62.100 -0.119 0.000 0.960 165 T CB 1.458 70.081 68.868 -0.409 0.000 0.939 165 T HN 0.340 nan 8.240 nan 0.000 0.439 166 V N 4.735 124.558 119.914 -0.152 0.000 2.383 166 V HA 0.482 4.602 4.120 0.000 0.000 0.275 166 V C -0.357 175.631 176.094 -0.176 0.000 1.036 166 V CA -0.746 61.474 62.300 -0.133 0.000 0.889 166 V CB 1.226 32.886 31.823 -0.271 0.000 0.985 166 V HN 0.649 nan 8.190 nan 0.000 0.459 167 L N 4.921 126.115 121.223 -0.049 0.000 2.333 167 L HA 0.589 4.929 4.340 0.000 0.000 0.280 167 L C 0.230 177.091 176.870 -0.015 0.000 1.004 167 L CA 0.244 55.057 54.840 -0.045 0.000 0.820 167 L CB 2.037 44.156 42.059 0.100 0.000 1.247 167 L HN 0.633 nan 8.230 nan 0.000 0.416 168 S N 5.990 121.667 115.700 -0.039 0.000 2.448 168 S HA 0.536 5.006 4.470 0.000 0.000 0.279 168 S C -0.407 174.193 174.600 0.000 0.000 1.195 168 S CA -0.521 57.669 58.200 -0.017 0.000 1.051 168 S CB -0.299 62.889 63.200 -0.019 0.000 0.948 168 S HN 0.605 nan 8.310 nan 0.000 0.493 169 L N 6.477 127.698 121.223 -0.003 0.000 2.331 169 L HA 0.570 4.910 4.340 0.000 0.000 0.275 169 L C -1.754 175.089 176.870 -0.044 0.000 1.022 169 L CA -2.357 52.479 54.840 -0.008 0.000 0.812 169 L CB 1.506 43.555 42.059 -0.016 0.000 1.257 169 L HN 0.526 nan 8.230 nan 0.000 0.435 170 P HA 0.089 nan 4.420 nan 0.000 0.271 170 P C -0.581 176.574 177.300 -0.241 0.000 1.218 170 P CA -0.209 62.751 63.100 -0.233 0.000 0.780 170 P CB 0.688 32.053 31.700 -0.558 0.000 0.901 171 T N -2.131 112.272 114.554 -0.252 0.000 3.331 171 T HA 0.492 4.842 4.350 0.000 0.000 0.381 171 T C -0.267 174.267 174.700 -0.276 0.000 1.656 171 T CA -0.683 61.287 62.100 -0.217 0.000 1.453 171 T CB -0.787 67.993 68.868 -0.146 0.000 1.066 171 T HN 0.625 nan 8.240 nan 0.000 0.655 172 S N 1.307 116.802 115.700 -0.342 0.000 2.912 172 S HA -0.102 4.368 4.470 0.000 0.000 0.857 172 S C -0.775 173.568 174.600 -0.428 0.000 0.919 172 S CA -0.682 57.331 58.200 -0.311 0.000 1.424 172 S CB -1.031 62.037 63.200 -0.220 0.000 1.019 172 S HN 0.718 nan 8.310 nan 0.000 0.231 173 Y N 2.110 122.377 120.300 -0.055 0.000 2.645 173 Y HA 0.461 5.011 4.550 0.000 0.000 0.341 173 Y C 1.330 177.191 175.900 -0.064 0.000 1.234 173 Y CA -0.251 57.814 58.100 -0.060 0.000 1.352 173 Y CB 0.426 38.852 38.460 -0.057 0.000 1.556 173 Y HN 0.772 nan 8.280 nan 0.000 0.607 174 D N 0.747 121.241 120.400 0.155 0.000 2.737 174 D HA -0.186 4.454 4.640 0.000 0.000 0.233 174 D C -1.062 175.265 176.300 0.044 0.000 1.155 174 D CA 0.757 54.799 54.000 0.070 0.000 0.667 174 D CB -1.112 39.718 40.800 0.051 0.000 1.060 174 D HN 0.267 nan 8.370 nan 0.000 0.427 175 L N -0.113 121.131 121.223 0.036 0.000 2.417 175 L HA 0.404 4.744 4.340 0.000 0.000 0.268 175 L C 1.828 178.776 176.870 0.130 0.000 1.158 175 L CA -0.139 54.710 54.840 0.016 0.000 0.819 175 L CB 0.847 42.858 42.059 -0.081 0.000 1.112 175 L HN 0.034 nan 8.230 nan 0.000 0.458 176 G N 0.575 109.519 108.800 0.240 0.000 2.606 176 G HA2 0.170 4.130 3.960 0.000 0.000 0.252 176 G HA3 0.170 4.130 3.960 0.000 0.000 0.252 176 G C -0.872 174.187 174.900 0.265 0.000 1.206 176 G CA -0.335 44.925 45.100 0.267 0.000 0.861 176 G HN 0.342 nan 8.290 nan 0.000 0.561 177 Y N -0.485 119.881 120.300 0.110 0.000 2.511 177 Y HA 0.234 4.784 4.550 0.000 0.000 0.332 177 Y C 0.889 176.849 175.900 0.099 0.000 1.177 177 Y CA 0.211 58.374 58.100 0.105 0.000 1.422 177 Y CB 1.050 39.549 38.460 0.064 0.000 1.271 177 Y HN 0.150 nan 8.280 nan 0.000 0.550 178 V N 5.354 125.310 119.914 0.069 0.000 2.427 178 V HA 0.314 4.434 4.120 0.000 0.000 0.286 178 V C 0.138 176.235 176.094 0.006 0.000 1.034 178 V CA -1.204 61.010 62.300 -0.144 0.000 0.893 178 V CB 1.368 32.871 31.823 -0.533 0.000 0.982 178 V HN 0.635 nan 8.190 nan 0.000 0.452 179 R N 3.842 124.304 120.500 -0.063 0.000 2.401 179 R HA 0.360 4.700 4.340 0.000 0.000 0.299 179 R C -0.424 175.743 176.300 -0.221 0.000 1.064 179 R CA -0.309 55.603 56.100 -0.312 0.000 1.000 179 R CB 0.290 30.372 30.300 -0.364 0.000 0.973 179 R HN 0.622 nan 8.270 nan 0.000 0.438 180 L N 2.130 123.226 121.223 -0.212 0.000 2.479 180 L HA 0.238 4.578 4.340 0.000 0.000 0.248 180 L C 1.492 178.305 176.870 -0.094 0.000 1.205 180 L CA -0.102 54.671 54.840 -0.113 0.000 0.817 180 L CB 0.551 42.570 42.059 -0.068 0.000 1.162 180 L HN 0.803 nan 8.230 nan 0.000 0.486 181 G N 0.216 108.996 108.800 -0.033 0.000 3.455 181 G HA2 0.041 4.001 3.960 0.000 0.000 0.250 181 G HA3 0.041 4.001 3.960 0.000 0.000 0.250 181 G C -0.060 174.818 174.900 -0.036 0.000 1.071 181 G CA -0.405 44.679 45.100 -0.027 0.000 1.812 181 G HN 0.707 nan 8.290 nan 0.000 0.643 182 D N 1.135 121.495 120.400 -0.067 0.000 2.382 182 D HA 0.134 4.774 4.640 0.000 0.000 0.245 182 D C -2.471 173.800 176.300 -0.049 0.000 1.120 182 D CA -1.550 52.415 54.000 -0.058 0.000 0.890 182 D CB 1.878 42.628 40.800 -0.082 0.000 1.201 182 D HN 0.071 nan 8.370 nan 0.000 0.433 183 P HA 0.152 nan 4.420 nan 0.000 0.268 183 P C -0.445 176.835 177.300 -0.033 0.000 1.205 183 P CA -0.410 62.673 63.100 -0.028 0.000 0.771 183 P CB 0.830 32.517 31.700 -0.021 0.000 0.858 184 I N 5.049 125.602 120.570 -0.028 0.000 2.562 184 I HA 0.406 4.576 4.170 0.000 0.000 0.301 184 I C -2.231 173.874 176.117 -0.020 0.000 1.003 184 I CA -3.101 58.183 61.300 -0.027 0.000 1.127 184 I CB 1.241 39.224 38.000 -0.029 0.000 1.304 184 I HN 0.209 nan 8.210 nan 0.000 0.446 185 P HA 0.437 nan 4.420 nan 0.000 0.267 185 P C -1.550 175.743 177.300 -0.011 0.000 1.209 185 P CA -0.156 62.936 63.100 -0.014 0.000 0.763 185 P CB 0.480 32.173 31.700 -0.012 0.000 0.816 186 A N 3.453 126.267 122.820 -0.010 0.000 2.566 186 A HA 0.691 5.011 4.320 0.000 0.000 0.297 186 A C -0.796 176.783 177.584 -0.007 0.000 1.059 186 A CA -0.693 51.339 52.037 -0.008 0.000 0.691 186 A CB 0.974 19.968 19.000 -0.009 0.000 1.282 186 A HN 0.567 nan 8.150 nan 0.000 0.401 187 I N -0.529 120.038 120.570 -0.006 0.000 2.603 187 I HA 1.008 5.178 4.170 0.000 0.000 0.300 187 I C 0.117 176.232 176.117 -0.004 0.000 1.017 187 I CA -0.868 60.429 61.300 -0.005 0.000 1.098 187 I CB 2.438 40.436 38.000 -0.004 0.000 1.279 187 I HN 0.974 nan 8.210 nan 0.000 0.437 188 G N 3.811 112.609 108.800 -0.003 0.000 2.673 188 G HA2 0.416 4.376 3.960 0.000 0.000 0.292 188 G HA3 0.416 4.376 3.960 0.000 0.000 0.292 188 G C -0.206 174.693 174.900 -0.002 0.000 1.450 188 G CA -0.879 44.219 45.100 -0.003 0.000 0.837 188 G HN 0.726 nan 8.290 nan 0.000 0.505 189 L N -0.353 120.869 121.223 -0.002 0.000 2.201 189 L HA 0.057 4.397 4.340 0.000 0.000 0.212 189 L C 0.823 177.692 176.870 -0.002 0.000 1.105 189 L CA 0.695 55.534 54.840 -0.002 0.000 0.775 189 L CB 0.083 42.141 42.059 -0.002 0.000 0.913 189 L HN 0.380 nan 8.230 nan 0.000 0.440 190 D N -0.297 120.102 120.400 -0.001 0.000 2.295 190 D HA 0.116 4.756 4.640 0.000 0.000 0.248 190 D C -1.533 174.767 176.300 -0.000 0.000 1.154 190 D CA -2.015 51.984 54.000 -0.001 0.000 0.857 190 D CB 1.759 42.559 40.800 -0.001 0.000 1.117 190 D HN -0.171 nan 8.370 nan 0.000 0.468 191 P HA -0.144 nan 4.420 nan 0.000 0.216 191 P C 0.482 177.783 177.300 0.002 0.000 1.154 191 P CA 1.346 64.447 63.100 0.001 0.000 0.865 191 P CB 0.264 31.965 31.700 0.002 0.000 0.789 192 K N -1.407 118.995 120.400 0.002 0.000 2.504 192 K HA 0.125 4.445 4.320 0.000 0.000 0.199 192 K C 0.758 177.360 176.600 0.003 0.000 1.028 192 K CA -0.245 56.044 56.287 0.004 0.000 1.164 192 K CB -0.296 32.206 32.500 0.004 0.000 0.877 192 K HN 0.195 nan 8.250 nan 0.000 0.508 193 M N 1.954 121.555 119.600 0.001 0.000 2.219 193 M HA 0.084 4.564 4.480 0.000 0.000 0.353 193 M C -1.062 175.238 176.300 -0.000 0.000 1.304 193 M CA 0.352 55.652 55.300 -0.000 0.000 1.115 193 M CB 0.692 33.291 32.600 -0.002 0.000 1.664 193 M HN -0.207 nan 8.290 nan 0.000 0.459 194 V N 4.650 124.564 119.914 -0.001 0.000 2.623 194 V HA 0.728 4.848 4.120 0.000 0.000 0.304 194 V C -0.696 175.395 176.094 -0.005 0.000 1.054 194 V CA -0.837 61.463 62.300 -0.001 0.000 0.882 194 V CB 1.700 33.524 31.823 0.002 0.000 1.002 194 V HN 0.951 nan 8.190 nan 0.000 0.424 195 A N 3.425 126.240 122.820 -0.009 0.000 2.357 195 A HA 0.913 5.233 4.320 0.000 0.000 0.295 195 A C -0.125 177.447 177.584 -0.020 0.000 1.121 195 A CA -0.280 51.748 52.037 -0.014 0.000 0.742 195 A CB 1.503 20.494 19.000 -0.014 0.000 1.181 195 A HN 0.947 nan 8.150 nan 0.000 0.454 196 T N -1.916 112.623 114.554 -0.025 0.000 2.907 196 T HA 0.610 4.960 4.350 0.000 0.000 0.290 196 T C -0.641 174.029 174.700 -0.050 0.000 1.066 196 T CA -0.794 61.286 62.100 -0.035 0.000 1.012 196 T CB 1.462 70.314 68.868 -0.027 0.000 1.184 196 T HN 1.049 nan 8.240 nan 0.000 0.522 197 C N 2.299 121.559 119.300 -0.067 0.000 2.293 197 C HA 0.647 5.107 4.460 0.000 0.000 0.323 197 C C -0.858 174.072 174.990 -0.100 0.000 1.240 197 C CA -0.475 58.492 59.018 -0.085 0.000 1.497 197 C CB -1.032 26.651 27.740 -0.096 0.000 2.171 197 C HN 0.883 nan 8.230 nan 0.000 0.465 198 D N 2.932 123.274 120.400 -0.097 0.000 2.277 198 D HA 0.309 4.949 4.640 0.000 0.000 0.250 198 D C -0.059 176.194 176.300 -0.079 0.000 1.032 198 D CA 0.003 53.955 54.000 -0.080 0.000 0.947 198 D CB 1.582 42.340 40.800 -0.069 0.000 1.159 198 D HN 0.552 nan 8.370 nan 0.000 0.460 199 S N 0.054 115.716 115.700 -0.063 0.000 2.629 199 S HA 0.117 4.587 4.470 0.000 0.000 0.302 199 S C 1.066 175.663 174.600 -0.005 0.000 1.244 199 S CA -0.111 58.046 58.200 -0.073 0.000 1.098 199 S CB 0.139 63.276 63.200 -0.105 0.000 0.858 199 S HN 0.523 nan 8.310 nan 0.000 0.502 200 S N 1.257 116.956 115.700 -0.001 0.000 3.019 200 S HA 0.120 4.590 4.470 0.000 0.000 0.258 200 S C -0.363 174.282 174.600 0.075 0.000 1.082 200 S CA -0.533 57.697 58.200 0.050 0.000 0.836 200 S CB -0.448 62.749 63.200 -0.005 0.000 0.834 200 S HN 0.571 nan 8.310 nan 0.000 0.457 201 D N 3.441 123.878 120.400 0.062 0.000 2.571 201 D HA 0.242 4.882 4.640 0.000 0.000 0.231 201 D C 0.113 176.485 176.300 0.119 0.000 1.133 201 D CA 0.622 54.677 54.000 0.093 0.000 0.862 201 D CB -0.054 40.815 40.800 0.116 0.000 1.179 201 D HN 0.175 nan 8.370 nan 0.000 0.474 202 R N -0.428 120.135 120.500 0.105 0.000 3.125 202 R HA -0.101 4.239 4.340 0.000 0.000 0.258 202 R C -2.483 173.862 176.300 0.074 0.000 0.968 202 R CA -0.032 56.124 56.100 0.093 0.000 0.656 202 R CB -1.845 28.541 30.300 0.144 0.000 1.251 202 R HN 0.452 nan 8.270 nan 0.000 0.428 203 P HA 0.087 nan 4.420 nan 0.000 0.272 203 P C -0.279 177.007 177.300 -0.023 0.000 1.230 203 P CA -0.122 62.999 63.100 0.035 0.000 0.788 203 P CB 0.741 32.470 31.700 0.049 0.000 0.949 204 R N 1.169 121.630 120.500 -0.065 0.000 2.407 204 R HA 0.524 4.864 4.340 0.000 0.000 0.303 204 R C -1.374 174.800 176.300 -0.210 0.000 0.981 204 R CA -0.739 55.264 56.100 -0.162 0.000 0.905 204 R CB 0.909 31.095 30.300 -0.190 0.000 1.099 204 R HN 0.260 nan 8.270 nan 0.000 0.459 205 V N 5.444 125.198 119.914 -0.267 0.000 2.487 205 V HA 0.366 4.486 4.120 0.000 0.000 0.298 205 V C -1.210 174.710 176.094 -0.291 0.000 1.028 205 V CA -0.702 61.478 62.300 -0.199 0.000 0.860 205 V CB 1.474 33.237 31.823 -0.099 0.000 0.991 205 V HN 0.690 nan 8.190 nan 0.000 0.427 206 Y N 1.813 122.092 120.300 -0.035 0.000 2.342 206 Y HA 0.602 5.152 4.550 0.000 0.000 0.334 206 Y C 0.752 176.614 175.900 -0.064 0.000 1.067 206 Y CA -0.520 57.556 58.100 -0.040 0.000 1.128 206 Y CB 2.055 40.497 38.460 -0.029 0.000 1.200 206 Y HN 0.497 nan 8.280 nan 0.000 0.464 207 T N 5.153 119.753 114.554 0.076 0.000 2.786 207 T HA 0.578 4.928 4.350 0.000 0.000 0.283 207 T C -0.583 174.071 174.700 -0.077 0.000 0.992 207 T CA -0.521 61.567 62.100 -0.019 0.000 0.954 207 T CB 0.327 69.174 68.868 -0.035 0.000 0.934 207 T HN 0.378 nan 8.240 nan 0.000 0.440 208 I N 2.873 123.336 120.570 -0.177 0.000 2.411 208 I HA 0.247 4.417 4.170 0.000 0.000 0.284 208 I C 0.245 176.151 176.117 -0.351 0.000 1.012 208 I CA -0.640 60.462 61.300 -0.331 0.000 1.119 208 I CB 1.724 39.367 38.000 -0.594 0.000 1.261 208 I HN 0.476 nan 8.210 nan 0.000 0.448 209 T N 5.775 120.172 114.554 -0.262 0.000 2.863 209 T HA 0.208 4.558 4.350 0.000 0.000 0.299 209 T C 1.207 175.755 174.700 -0.254 0.000 0.973 209 T CA -0.232 61.741 62.100 -0.210 0.000 0.994 209 T CB 1.076 69.871 68.868 -0.123 0.000 0.961 209 T HN 0.753 nan 8.240 nan 0.000 0.552 210 A N 2.923 125.558 122.820 -0.308 0.000 2.014 210 A HA 0.561 4.882 4.320 0.000 0.000 0.218 210 A C 1.213 178.762 177.584 -0.057 0.000 1.163 210 A CA 0.587 52.473 52.037 -0.252 0.000 0.652 210 A CB 0.108 19.033 19.000 -0.126 0.000 0.808 210 A HN 0.890 nan 8.150 nan 0.000 0.449 211 A N -0.853 121.942 122.820 -0.042 0.000 2.540 211 A HA 0.542 4.862 4.320 0.000 0.000 0.297 211 A C -1.999 175.603 177.584 0.029 0.000 1.056 211 A CA -0.354 51.710 52.037 0.044 0.000 0.700 211 A CB 1.041 20.110 19.000 0.116 0.000 1.280 211 A HN 0.025 nan 8.150 nan 0.000 0.398 212 D N 2.176 122.619 120.400 0.073 0.000 2.375 212 D HA 0.430 5.070 4.640 0.000 0.000 0.259 212 D C -0.780 175.572 176.300 0.086 0.000 1.235 212 D CA 0.256 54.286 54.000 0.051 0.000 0.924 212 D CB 0.463 41.280 40.800 0.029 0.000 1.143 212 D HN 0.472 nan 8.370 nan 0.000 0.529 213 D N 2.071 122.522 120.400 0.084 0.000 2.686 213 D HA -0.297 4.343 4.640 0.000 0.000 0.235 213 D C -0.495 175.887 176.300 0.137 0.000 1.160 213 D CA 0.577 54.633 54.000 0.094 0.000 0.645 213 D CB -1.798 39.035 40.800 0.055 0.000 1.039 213 D HN 0.454 nan 8.370 nan 0.000 0.423 214 Y N 1.314 121.674 120.300 0.099 0.000 2.537 214 Y HA 0.138 4.688 4.550 0.000 0.000 0.339 214 Y C 0.502 176.492 175.900 0.150 0.000 1.066 214 Y CA -0.098 58.078 58.100 0.126 0.000 1.357 214 Y CB 0.515 39.076 38.460 0.170 0.000 1.175 214 Y HN -0.018 nan 8.280 nan 0.000 0.525 215 Q N 7.375 126.784 119.800 -0.652 0.000 2.288 215 Q HA 0.159 4.499 4.340 0.000 0.000 0.258 215 Q C -1.198 174.197 176.000 -1.008 0.000 0.957 215 Q CA -0.261 55.194 55.803 -0.580 0.000 0.919 215 Q CB 1.483 30.013 28.738 -0.346 0.000 1.185 215 Q HN 0.753 nan 8.270 nan 0.000 0.408 216 F N 1.199 120.605 119.950 -0.907 0.000 2.469 216 F HA 0.511 5.038 4.527 0.000 0.000 0.332 216 F C -0.592 174.845 175.800 -0.605 0.000 1.103 216 F CA -0.517 56.929 58.000 -0.923 0.000 0.979 216 F CB 1.785 39.742 39.000 -1.740 0.000 1.137 216 F HN 0.373 nan 8.300 nan 0.000 0.463 217 S N 4.051 118.989 115.700 -1.269 0.000 2.603 217 S HA 0.670 5.140 4.470 0.000 0.000 0.274 217 S C -1.461 172.595 174.600 -0.906 0.000 1.168 217 S CA -0.387 57.293 58.200 -0.867 0.000 0.963 217 S CB 1.230 64.160 63.200 -0.449 0.000 1.078 217 S HN 0.951 nan 8.310 nan 0.000 0.477 218 S N 2.790 118.107 115.700 -0.639 0.000 2.565 218 S HA 0.403 4.873 4.470 0.000 0.000 0.274 218 S C -1.828 172.699 174.600 -0.122 0.000 1.144 218 S CA -0.617 57.362 58.200 -0.369 0.000 0.849 218 S CB 1.440 64.410 63.200 -0.383 0.000 1.103 218 S HN 0.747 nan 8.310 nan 0.000 0.455 219 Q N 1.583 121.352 119.800 -0.051 0.000 2.354 219 Q HA 0.206 4.546 4.340 0.000 0.000 0.244 219 Q C -0.734 175.324 176.000 0.097 0.000 0.969 219 Q CA -0.218 55.602 55.803 0.028 0.000 0.885 219 Q CB 0.512 29.259 28.738 0.016 0.000 1.241 219 Q HN 0.720 nan 8.270 nan 0.000 0.461 220 Y N 1.815 122.132 120.300 0.029 0.000 2.788 220 Y HA -0.077 4.473 4.550 0.000 0.000 0.341 220 Y C -0.489 175.438 175.900 0.045 0.000 1.258 220 Y CA 0.638 58.767 58.100 0.049 0.000 1.503 220 Y CB 0.465 38.950 38.460 0.041 0.000 1.325 220 Y HN 0.482 nan 8.280 nan 0.000 0.614 221 Q N 6.934 126.230 119.800 -0.841 0.000 2.268 221 Q HA 0.420 4.760 4.340 0.000 0.000 0.266 221 Q C -2.965 172.462 176.000 -0.954 0.000 1.006 221 Q CA -2.542 52.788 55.803 -0.789 0.000 0.824 221 Q CB 2.054 30.629 28.738 -0.272 0.000 1.306 221 Q HN 0.415 nan 8.270 nan 0.000 0.424 222 P HA 0.149 nan 4.420 nan 0.000 0.263 222 P C 0.514 177.732 177.300 -0.137 0.000 1.195 222 P CA 1.343 64.286 63.100 -0.262 0.000 0.762 222 P CB 0.754 32.387 31.700 -0.112 0.000 0.799 223 G N 2.157 110.930 108.800 -0.044 0.000 2.268 223 G HA2 0.007 3.967 3.960 0.000 0.000 0.240 223 G HA3 0.007 3.967 3.960 0.000 0.000 0.240 223 G C 0.465 175.360 174.900 -0.007 0.000 1.010 223 G CA 0.234 45.323 45.100 -0.018 0.000 0.618 223 G HN 1.068 nan 8.290 nan 0.000 0.516 224 G N -2.284 106.498 108.800 -0.032 0.000 2.631 224 G HA2 0.320 4.280 3.960 0.000 0.000 0.504 224 G HA3 0.320 4.280 3.960 0.000 0.000 0.504 224 G C -0.588 174.332 174.900 0.032 0.000 1.306 224 G CA 0.084 45.198 45.100 0.023 0.000 0.897 224 G HN 1.549 nan 8.290 nan 0.000 0.520 225 V N 0.843 120.819 119.914 0.103 0.000 2.407 225 V HA 0.649 4.769 4.120 0.000 0.000 0.291 225 V C 0.416 176.600 176.094 0.149 0.000 1.018 225 V CA -0.223 62.164 62.300 0.145 0.000 0.842 225 V CB 1.576 33.553 31.823 0.258 0.000 0.996 225 V HN 1.000 nan 8.190 nan 0.000 0.426 226 T N 6.874 121.495 114.554 0.112 0.000 2.799 226 T HA 0.728 5.078 4.350 0.000 0.000 0.286 226 T C -0.181 174.595 174.700 0.126 0.000 0.973 226 T CA -0.084 62.074 62.100 0.097 0.000 1.035 226 T CB 0.886 69.793 68.868 0.064 0.000 0.932 226 T HN 0.650 nan 8.240 nan 0.000 0.469 227 I N -0.690 119.962 120.570 0.136 0.000 2.785 227 I HA 0.664 4.835 4.170 0.000 0.000 0.302 227 I C -0.452 175.726 176.117 0.101 0.000 1.069 227 I CA -0.937 60.454 61.300 0.152 0.000 1.045 227 I CB 2.340 40.492 38.000 0.252 0.000 1.236 227 I HN 0.300 nan 8.210 nan 0.000 0.429 228 T N 4.948 119.541 114.554 0.064 0.000 2.832 228 T HA 0.242 4.592 4.350 0.000 0.000 0.313 228 T C 0.732 175.441 174.700 0.014 0.000 1.035 228 T CA -0.271 61.835 62.100 0.011 0.000 0.950 228 T CB 1.056 69.907 68.868 -0.029 0.000 0.984 228 T HN 0.593 nan 8.240 nan 0.000 0.486 229 L N 4.514 125.752 121.223 0.025 0.000 2.046 229 L HA 0.240 4.580 4.340 0.000 0.000 0.208 229 L C 0.212 177.153 176.870 0.118 0.000 1.077 229 L CA 1.757 56.640 54.840 0.072 0.000 0.747 229 L CB -0.278 41.895 42.059 0.189 0.000 0.896 229 L HN 0.710 nan 8.230 nan 0.000 0.432 230 F N -3.288 116.658 119.950 -0.008 0.000 2.713 230 F HA 0.650 5.177 4.527 0.000 0.000 0.311 230 F C -0.727 175.067 175.800 -0.010 0.000 1.141 230 F CA -0.905 57.078 58.000 -0.027 0.000 0.939 230 F CB 0.728 39.702 39.000 -0.044 0.000 1.325 230 F HN -0.304 nan 8.300 nan 0.000 0.453 231 S N 1.171 116.992 115.700 0.203 0.000 2.548 231 S HA 0.896 5.366 4.470 0.000 0.000 0.276 231 S C -1.523 173.201 174.600 0.207 0.000 1.129 231 S CA 0.092 58.350 58.200 0.097 0.000 0.931 231 S CB 1.267 64.468 63.200 0.002 0.000 1.068 231 S HN 1.686 nan 8.310 nan 0.000 0.480 232 A N 3.857 126.782 122.820 0.174 0.000 2.488 232 A HA 0.706 5.026 4.320 0.000 0.000 0.298 232 A C -1.194 176.377 177.584 -0.023 0.000 1.044 232 A CA -0.886 51.198 52.037 0.079 0.000 0.693 232 A CB 1.067 20.113 19.000 0.075 0.000 1.272 232 A HN 0.715 nan 8.150 nan 0.000 0.402 233 N N 1.459 120.127 118.700 -0.052 0.000 2.442 233 N HA 0.527 5.267 4.740 0.000 0.000 0.265 233 N C -0.216 175.162 175.510 -0.221 0.000 1.138 233 N CA 0.274 53.277 53.050 -0.077 0.000 0.956 233 N CB 0.508 38.984 38.487 -0.018 0.000 1.067 233 N HN 0.744 nan 8.380 nan 0.000 0.474 234 I N -2.155 118.261 120.570 -0.256 0.000 3.264 234 I HA 0.615 4.785 4.170 0.000 0.000 0.315 234 I C -1.052 175.014 176.117 -0.085 0.000 1.154 234 I CA -0.963 60.042 61.300 -0.492 0.000 0.962 234 I CB 2.669 40.210 38.000 -0.765 0.000 1.265 234 I HN 0.028 nan 8.210 nan 0.000 0.463 235 D N 2.073 122.534 120.400 0.101 0.000 2.646 235 D HA 0.720 5.360 4.640 0.000 0.000 0.245 235 D C -1.167 175.218 176.300 0.143 0.000 1.099 235 D CA -0.227 53.861 54.000 0.147 0.000 0.849 235 D CB 2.398 43.316 40.800 0.195 0.000 1.448 235 D HN 0.903 nan 8.370 nan 0.000 0.489 236 A N 1.995 124.864 122.820 0.082 0.000 2.517 236 A HA 0.527 4.848 4.320 0.000 0.000 0.297 236 A C -0.198 177.390 177.584 0.007 0.000 1.050 236 A CA -0.517 51.554 52.037 0.056 0.000 0.694 236 A CB 0.919 19.951 19.000 0.054 0.000 1.277 236 A HN 0.552 nan 8.150 nan 0.000 0.400 237 I N 0.524 121.082 120.570 -0.020 0.000 4.124 237 I HA 0.118 4.288 4.170 0.000 0.000 0.311 237 I C 1.265 177.372 176.117 -0.018 0.000 1.259 237 I CA 1.074 62.323 61.300 -0.086 0.000 1.315 237 I CB 0.659 38.511 38.000 -0.247 0.000 1.223 237 I HN 0.792 nan 8.210 nan 0.000 0.441 238 T N -1.454 113.128 114.554 0.046 0.000 2.762 238 T HA 0.410 4.760 4.350 0.000 0.000 0.272 238 T C 0.319 175.070 174.700 0.085 0.000 0.982 238 T CA -0.494 61.652 62.100 0.077 0.000 1.013 238 T CB 1.167 70.110 68.868 0.125 0.000 1.309 238 T HN 0.126 nan 8.240 nan 0.000 0.572 239 S N 0.619 116.387 115.700 0.113 0.000 2.558 239 S HA 0.371 4.841 4.470 0.000 0.000 0.291 239 S C 0.042 174.754 174.600 0.186 0.000 1.306 239 S CA -0.429 57.866 58.200 0.158 0.000 1.056 239 S CB -0.978 62.335 63.200 0.188 0.000 0.836 239 S HN 1.189 nan 8.310 nan 0.000 0.504 240 L N -0.516 120.779 121.223 0.120 0.000 2.491 240 L HA 0.950 5.290 4.340 0.000 0.000 0.254 240 L C -0.655 176.223 176.870 0.014 0.000 1.048 240 L CA -1.008 53.802 54.840 -0.050 0.000 0.855 240 L CB 1.863 43.907 42.059 -0.024 0.000 1.466 240 L HN 0.855 nan 8.230 nan 0.000 0.409 241 S N -0.208 115.457 115.700 -0.059 0.000 2.569 241 S HA 0.888 5.358 4.470 0.000 0.000 0.280 241 S C -1.075 173.551 174.600 0.044 0.000 1.111 241 S CA -0.688 57.542 58.200 0.050 0.000 0.887 241 S CB 1.979 65.255 63.200 0.126 0.000 1.095 241 S HN 0.661 nan 8.310 nan 0.000 0.476 242 V N 1.482 121.449 119.914 0.089 0.000 2.487 242 V HA 0.844 4.964 4.120 0.000 0.000 0.298 242 V C 0.693 176.871 176.094 0.140 0.000 1.028 242 V CA 0.005 62.370 62.300 0.109 0.000 0.860 242 V CB 1.206 33.127 31.823 0.163 0.000 0.991 242 V HN 1.249 nan 8.190 nan 0.000 0.427 243 G N 1.784 110.640 108.800 0.093 0.000 2.714 243 G HA2 0.908 4.868 3.960 0.000 0.000 0.292 243 G HA3 0.908 4.868 3.960 0.000 0.000 0.292 243 G C -0.149 174.785 174.900 0.058 0.000 1.308 243 G CA -0.225 44.939 45.100 0.107 0.000 0.964 243 G HN 1.491 nan 8.290 nan 0.000 0.484 244 G N -1.147 107.704 108.800 0.085 0.000 2.373 244 G HA2 0.350 4.310 3.960 0.000 0.000 0.634 244 G HA3 0.350 4.310 3.960 0.000 0.000 0.634 244 G C -0.986 174.000 174.900 0.143 0.000 1.267 244 G CA 0.061 45.180 45.100 0.032 0.000 1.008 244 G HN 0.933 nan 8.290 nan 0.000 0.497 245 E N -1.154 119.096 120.200 0.084 0.000 2.354 245 E HA 0.551 4.901 4.350 0.000 0.000 0.283 245 E C -0.942 175.714 176.600 0.094 0.000 0.938 245 E CA -0.768 55.743 56.400 0.184 0.000 0.777 245 E CB 1.573 31.339 29.700 0.111 0.000 1.222 245 E HN 0.603 nan 8.360 nan 0.000 0.423 246 L N 2.955 124.287 121.223 0.182 0.000 2.322 246 L HA 0.634 4.974 4.340 0.000 0.000 0.279 246 L C -0.662 176.151 176.870 -0.094 0.000 1.036 246 L CA -1.110 53.712 54.840 -0.030 0.000 0.807 246 L CB 1.782 43.819 42.059 -0.037 0.000 1.226 246 L HN 0.297 nan 8.230 nan 0.000 0.433 247 V N 2.584 122.339 119.914 -0.265 0.000 2.448 247 V HA 0.444 4.564 4.120 0.000 0.000 0.295 247 V C -0.693 175.201 176.094 -0.334 0.000 1.025 247 V CA -0.441 61.767 62.300 -0.154 0.000 0.859 247 V CB 1.625 33.412 31.823 -0.060 0.000 0.988 247 V HN 0.370 nan 8.190 nan 0.000 0.431 248 F N 4.332 124.269 119.950 -0.022 0.000 2.469 248 F HA 0.716 5.243 4.527 0.000 0.000 0.332 248 F C 0.555 176.374 175.800 0.031 0.000 1.103 248 F CA -0.687 57.298 58.000 -0.026 0.000 0.979 248 F CB 1.691 40.577 39.000 -0.190 0.000 1.137 248 F HN 0.252 nan 8.300 nan 0.000 0.463 249 R N 1.149 121.806 120.500 0.262 0.000 2.803 249 R HA 0.758 5.098 4.340 0.000 0.000 0.276 249 R C -0.831 175.608 176.300 0.232 0.000 0.978 249 R CA -0.806 55.407 56.100 0.188 0.000 0.939 249 R CB 2.156 32.534 30.300 0.130 0.000 1.179 249 R HN 0.693 nan 8.270 nan 0.000 0.472 250 T N -1.027 113.616 114.554 0.148 0.000 2.885 250 T HA 0.230 4.580 4.350 0.000 0.000 0.322 250 T C -0.001 174.716 174.700 0.027 0.000 1.387 250 T CA -0.402 61.777 62.100 0.132 0.000 1.041 250 T CB 1.430 70.404 68.868 0.177 0.000 1.287 250 T HN 0.453 nan 8.240 nan 0.000 0.491 251 S N 0.938 116.642 115.700 0.007 0.000 2.511 251 S HA 0.243 4.713 4.470 0.000 0.000 0.214 251 S C 0.405 174.922 174.600 -0.139 0.000 0.997 251 S CA -0.125 58.039 58.200 -0.059 0.000 0.908 251 S CB 0.364 63.555 63.200 -0.015 0.000 0.803 251 S HN 0.592 nan 8.310 nan 0.000 0.504 252 V N 3.809 123.676 119.914 -0.080 0.000 2.439 252 V HA 0.296 4.416 4.120 0.000 0.000 0.282 252 V C 0.034 176.063 176.094 -0.108 0.000 1.039 252 V CA -0.824 61.443 62.300 -0.054 0.000 0.913 252 V CB 0.634 32.486 31.823 0.049 0.000 0.983 252 V HN 0.413 nan 8.190 nan 0.000 0.460 253 H N 2.829 121.924 119.070 0.041 0.000 2.562 253 H HA 0.346 4.902 4.556 0.000 0.000 0.352 253 H C 1.265 176.607 175.328 0.024 0.000 1.125 253 H CA 0.824 56.890 56.048 0.030 0.000 1.379 253 H CB 1.386 31.157 29.762 0.016 0.000 1.464 253 H HN 1.015 nan 8.280 nan 0.000 0.563 254 G N 2.635 111.519 108.800 0.141 0.000 2.176 254 G HA2 -0.240 3.720 3.960 0.000 0.000 0.252 254 G HA3 -0.240 3.720 3.960 0.000 0.000 0.252 254 G C 0.077 175.011 174.900 0.058 0.000 1.024 254 G CA -0.155 44.993 45.100 0.079 0.000 0.755 254 G HN 0.461 nan 8.290 nan 0.000 0.507 255 L N -0.046 121.215 121.223 0.062 0.000 2.326 255 L HA 0.581 4.921 4.340 0.000 0.000 0.278 255 L C 0.465 177.342 176.870 0.012 0.000 1.092 255 L CA -0.824 54.057 54.840 0.067 0.000 0.810 255 L CB 1.578 43.706 42.059 0.115 0.000 1.153 255 L HN -0.042 nan 8.230 nan 0.000 0.439 256 V N 4.941 124.858 119.914 0.005 0.000 2.487 256 V HA 0.431 4.551 4.120 0.000 0.000 0.298 256 V C 0.010 176.046 176.094 -0.097 0.000 1.028 256 V CA -0.485 61.786 62.300 -0.047 0.000 0.860 256 V CB 2.134 33.946 31.823 -0.018 0.000 0.991 256 V HN 0.516 nan 8.190 nan 0.000 0.427 257 L N 3.947 125.052 121.223 -0.197 0.000 2.317 257 L HA 0.810 5.150 4.340 0.000 0.000 0.281 257 L C 0.582 177.316 176.870 -0.226 0.000 1.024 257 L CA -0.323 54.340 54.840 -0.295 0.000 0.810 257 L CB 1.928 43.630 42.059 -0.594 0.000 1.240 257 L HN 0.775 nan 8.230 nan 0.000 0.427 258 G N 1.742 110.433 108.800 -0.181 0.000 2.452 258 G HA2 0.771 4.731 3.960 0.000 0.000 0.324 258 G HA3 0.771 4.731 3.960 0.000 0.000 0.324 258 G C -1.394 173.422 174.900 -0.141 0.000 1.214 258 G CA -0.391 44.626 45.100 -0.138 0.000 0.947 258 G HN 0.735 nan 8.290 nan 0.000 0.478 259 A N 1.139 123.877 122.820 -0.136 0.000 2.488 259 A HA 0.867 5.187 4.320 0.000 0.000 0.298 259 A C -0.458 177.050 177.584 -0.127 0.000 1.044 259 A CA -0.571 51.404 52.037 -0.104 0.000 0.693 259 A CB 1.857 20.798 19.000 -0.100 0.000 1.272 259 A HN 0.789 nan 8.150 nan 0.000 0.402 260 T N 2.425 116.911 114.554 -0.112 0.000 2.886 260 T HA 0.554 4.904 4.350 0.000 0.000 0.292 260 T C -0.584 173.952 174.700 -0.273 0.000 1.012 260 T CA -0.237 61.711 62.100 -0.253 0.000 0.982 260 T CB 1.130 69.769 68.868 -0.381 0.000 1.018 260 T HN 0.509 nan 8.240 nan 0.000 0.451 261 I N 2.998 123.392 120.570 -0.293 0.000 2.359 261 I HA 0.404 4.574 4.170 0.000 0.000 0.294 261 I C -1.073 174.835 176.117 -0.348 0.000 0.987 261 I CA -0.790 60.401 61.300 -0.182 0.000 1.225 261 I CB 1.087 39.099 38.000 0.019 0.000 1.366 261 I HN 0.630 nan 8.210 nan 0.000 0.466 262 Y N 6.240 126.517 120.300 -0.039 0.000 2.364 262 Y HA 0.494 5.044 4.550 0.000 0.000 0.340 262 Y C -0.297 175.583 175.900 -0.033 0.000 0.975 262 Y CA -0.725 57.353 58.100 -0.036 0.000 1.089 262 Y CB 1.558 39.988 38.460 -0.050 0.000 1.192 262 Y HN 0.296 nan 8.280 nan 0.000 0.454 263 L N 5.268 126.560 121.223 0.116 0.000 2.287 263 L HA 0.464 4.804 4.340 0.000 0.000 0.287 263 L C -0.825 176.082 176.870 0.062 0.000 1.022 263 L CA -0.590 54.291 54.840 0.067 0.000 0.814 263 L CB 0.728 42.811 42.059 0.040 0.000 1.217 263 L HN 0.478 nan 8.230 nan 0.000 0.420 264 I N 2.391 122.985 120.570 0.039 0.000 2.392 264 I HA 0.407 4.577 4.170 0.000 0.000 0.295 264 I C 0.901 177.030 176.117 0.020 0.000 0.985 264 I CA -0.224 61.089 61.300 0.020 0.000 1.221 264 I CB 1.429 39.424 38.000 -0.008 0.000 1.366 264 I HN 0.554 nan 8.210 nan 0.000 0.467 265 G N 3.291 112.104 108.800 0.021 0.000 2.562 265 G HA2 0.180 4.140 3.960 0.000 0.000 0.275 265 G HA3 0.180 4.140 3.960 0.000 0.000 0.275 265 G C 0.447 175.395 174.900 0.080 0.000 1.196 265 G CA -0.341 44.790 45.100 0.052 0.000 0.908 265 G HN 0.592 nan 8.290 nan 0.000 0.524 266 F N 0.680 120.612 119.950 -0.030 0.000 2.192 266 F HA -0.163 4.364 4.527 0.000 0.000 0.301 266 F C 2.161 177.874 175.800 -0.144 0.000 1.079 266 F CA 2.028 59.938 58.000 -0.150 0.000 1.303 266 F CB 0.238 39.026 39.000 -0.354 0.000 1.024 266 F HN 0.435 nan 8.300 nan 0.000 0.494 267 D N -1.023 119.369 120.400 -0.015 0.000 2.319 267 D HA 0.153 4.793 4.640 0.000 0.000 0.230 267 D C 1.781 178.053 176.300 -0.047 0.000 1.094 267 D CA 0.676 54.662 54.000 -0.023 0.000 0.856 267 D CB -0.594 40.358 40.800 0.253 0.000 0.915 267 D HN 0.401 nan 8.370 nan 0.000 0.517 268 G N -0.617 108.134 108.800 -0.082 0.000 2.184 268 G HA2 -0.279 3.681 3.960 0.000 0.000 0.264 268 G HA3 -0.279 3.681 3.960 0.000 0.000 0.264 268 G C 0.472 175.349 174.900 -0.037 0.000 0.975 268 G CA 0.493 45.549 45.100 -0.073 0.000 0.642 268 G HN 0.512 nan 8.290 nan 0.000 0.536 269 T N 1.677 116.231 114.554 -0.001 0.000 2.910 269 T HA 0.506 4.856 4.350 0.000 0.000 0.293 269 T C 0.706 175.412 174.700 0.010 0.000 1.015 269 T CA 0.620 62.727 62.100 0.013 0.000 1.094 269 T CB 0.845 69.744 68.868 0.051 0.000 0.968 269 T HN 0.195 nan 8.240 nan 0.000 0.521 270 T N 3.602 118.165 114.554 0.015 0.000 2.769 270 T HA 0.151 4.501 4.350 0.000 0.000 0.293 270 T C 1.463 176.190 174.700 0.045 0.000 0.931 270 T CA -0.474 61.655 62.100 0.048 0.000 1.139 270 T CB 0.700 69.621 68.868 0.088 0.000 0.881 270 T HN 0.363 nan 8.240 nan 0.000 0.532 271 V N 4.107 124.043 119.914 0.037 0.000 2.426 271 V HA 0.269 4.389 4.120 0.000 0.000 0.242 271 V C 0.708 176.817 176.094 0.024 0.000 1.036 271 V CA 0.913 63.219 62.300 0.010 0.000 1.044 271 V CB -0.030 31.783 31.823 -0.017 0.000 0.688 271 V HN 0.723 nan 8.190 nan 0.000 0.462 272 I N -0.375 120.219 120.570 0.040 0.000 2.619 272 I HA 0.432 4.602 4.170 0.000 0.000 0.292 272 I C -0.584 175.549 176.117 0.027 0.000 1.100 272 I CA -0.060 61.256 61.300 0.026 0.000 1.043 272 I CB 2.442 40.450 38.000 0.013 0.000 1.239 272 I HN 0.047 nan 8.210 nan 0.000 0.420 273 T N 5.697 120.241 114.554 -0.018 0.000 2.840 273 T HA 0.577 4.927 4.350 0.000 0.000 0.287 273 T C -1.003 173.595 174.700 -0.170 0.000 0.991 273 T CA -0.667 61.349 62.100 -0.140 0.000 0.964 273 T CB 0.690 69.520 68.868 -0.064 0.000 0.954 273 T HN 0.416 nan 8.240 nan 0.000 0.438 274 R N 3.315 123.673 120.500 -0.237 0.000 2.483 274 R HA 0.601 4.941 4.340 0.000 0.000 0.303 274 R C -0.282 175.893 176.300 -0.209 0.000 0.987 274 R CA -0.690 55.309 56.100 -0.168 0.000 0.881 274 R CB 1.548 31.789 30.300 -0.099 0.000 1.177 274 R HN 0.847 nan 8.270 nan 0.000 0.451 275 A N 2.789 125.504 122.820 -0.176 0.000 2.491 275 A HA 0.191 4.511 4.320 0.000 0.000 0.261 275 A C 1.081 178.559 177.584 -0.177 0.000 1.101 275 A CA -0.191 51.743 52.037 -0.172 0.000 0.772 275 A CB 0.370 19.292 19.000 -0.129 0.000 1.043 275 A HN 0.526 nan 8.150 nan 0.000 0.501 276 V N 1.988 121.768 119.914 -0.223 0.000 2.949 276 V HA 0.351 4.471 4.120 0.000 0.000 0.245 276 V C 1.108 177.016 176.094 -0.310 0.000 1.086 276 V CA 1.697 63.802 62.300 -0.326 0.000 1.097 276 V CB -0.133 31.368 31.823 -0.537 0.000 0.762 276 V HN 1.187 nan 8.190 nan 0.000 0.470 277 A N -0.267 122.407 122.820 -0.243 0.000 2.485 277 A HA 0.819 5.139 4.320 0.000 0.000 0.285 277 A C -0.711 176.777 177.584 -0.160 0.000 1.045 277 A CA 0.208 52.127 52.037 -0.197 0.000 0.792 277 A CB 1.055 19.926 19.000 -0.216 0.000 1.307 277 A HN 0.410 nan 8.150 nan 0.000 0.406 278 A N 2.266 125.010 122.820 -0.126 0.000 2.337 278 A HA 0.789 5.109 4.320 0.000 0.000 0.331 278 A C 0.344 177.874 177.584 -0.091 0.000 1.137 278 A CA -0.119 51.858 52.037 -0.101 0.000 0.807 278 A CB 0.313 19.266 19.000 -0.079 0.000 1.250 278 A HN 2.297 nan 8.150 nan 0.000 0.468 279 N N 1.001 119.654 118.700 -0.079 0.000 2.558 279 N HA -0.225 4.515 4.740 0.000 0.000 0.302 279 N C -0.901 174.561 175.510 -0.079 0.000 1.322 279 N CA 1.036 54.046 53.050 -0.066 0.000 0.687 279 N CB -0.375 38.086 38.487 -0.043 0.000 0.992 279 N HN 0.775 nan 8.380 nan 0.000 0.524 280 N N 2.523 121.163 118.700 -0.099 0.000 2.621 280 N HA 0.309 5.049 4.740 0.000 0.000 0.271 280 N C -0.374 175.068 175.510 -0.114 0.000 1.181 280 N CA 0.146 53.128 53.050 -0.113 0.000 0.805 280 N CB 1.011 39.403 38.487 -0.159 0.000 1.351 280 N HN 0.581 nan 8.380 nan 0.000 0.539 281 G N 2.353 111.111 108.800 -0.070 0.000 2.398 281 G HA2 0.366 4.326 3.960 0.000 0.000 0.246 281 G HA3 0.366 4.326 3.960 0.000 0.000 0.246 281 G C -0.023 174.844 174.900 -0.054 0.000 1.289 281 G CA -0.117 44.954 45.100 -0.049 0.000 0.869 281 G HN 0.541 nan 8.290 nan 0.000 0.543 282 L N 1.907 123.103 121.223 -0.044 0.000 2.295 282 L HA 0.348 4.688 4.340 0.000 0.000 0.285 282 L C 0.431 177.307 176.870 0.009 0.000 1.035 282 L CA -0.700 54.122 54.840 -0.029 0.000 0.806 282 L CB 1.734 43.770 42.059 -0.039 0.000 1.214 282 L HN 0.393 nan 8.230 nan 0.000 0.426 283 T N 0.687 115.252 114.554 0.018 0.000 2.882 283 T HA 0.222 4.572 4.350 0.000 0.000 0.287 283 T C 0.325 175.032 174.700 0.013 0.000 0.992 283 T CA -0.459 61.660 62.100 0.030 0.000 1.076 283 T CB 1.268 70.158 68.868 0.036 0.000 0.961 283 T HN 0.483 nan 8.240 nan 0.000 0.490 284 T N 2.268 116.812 114.554 -0.017 0.000 2.919 284 T HA 0.421 4.771 4.350 0.000 0.000 0.302 284 T C 1.439 176.136 174.700 -0.005 0.000 1.031 284 T CA 0.687 62.742 62.100 -0.075 0.000 1.127 284 T CB 0.451 69.174 68.868 -0.241 0.000 0.952 284 T HN 1.006 nan 8.240 nan 0.000 0.540 285 G N 2.838 111.639 108.800 0.001 0.000 2.203 285 G HA2 -0.232 3.728 3.960 0.000 0.000 0.263 285 G HA3 -0.232 3.728 3.960 0.000 0.000 0.263 285 G C 0.200 175.118 174.900 0.030 0.000 1.012 285 G CA 0.382 45.494 45.100 0.021 0.000 0.749 285 G HN 0.914 nan 8.290 nan 0.000 0.512 286 T N -0.226 114.349 114.554 0.036 0.000 2.883 286 T HA 0.489 4.839 4.350 0.000 0.000 0.301 286 T C -0.888 173.842 174.700 0.050 0.000 1.158 286 T CA -0.846 61.277 62.100 0.039 0.000 1.007 286 T CB 1.875 70.764 68.868 0.036 0.000 1.186 286 T HN 0.073 nan 8.240 nan 0.000 0.499 287 D N 2.209 122.637 120.400 0.046 0.000 2.425 287 D HA 0.175 4.815 4.640 0.000 0.000 0.247 287 D C -0.315 176.023 176.300 0.063 0.000 1.147 287 D CA 0.307 54.340 54.000 0.054 0.000 0.879 287 D CB 0.350 41.174 40.800 0.040 0.000 1.179 287 D HN 0.379 nan 8.370 nan 0.000 0.456 288 N N 1.685 120.443 118.700 0.095 0.000 2.476 288 N HA 0.281 5.021 4.740 0.000 0.000 0.257 288 N C -0.599 174.995 175.510 0.140 0.000 0.970 288 N CA -0.478 52.631 53.050 0.099 0.000 0.938 288 N CB 1.285 39.828 38.487 0.093 0.000 1.144 288 N HN 0.162 nan 8.380 nan 0.000 0.500 289 L N 1.729 123.006 121.223 0.090 0.000 2.326 289 L HA 0.459 4.799 4.340 0.000 0.000 0.278 289 L C 0.105 177.037 176.870 0.104 0.000 1.092 289 L CA -0.169 54.728 54.840 0.095 0.000 0.810 289 L CB 0.902 42.996 42.059 0.058 0.000 1.153 289 L HN 0.465 nan 8.230 nan 0.000 0.439 290 M N 5.602 125.293 119.600 0.153 0.000 1.987 290 M HA 0.397 4.877 4.480 0.000 0.000 0.298 290 M C -2.616 173.757 176.300 0.122 0.000 0.892 290 M CA -1.609 53.757 55.300 0.111 0.000 0.885 290 M CB 1.595 34.333 32.600 0.231 0.000 1.469 290 M HN 0.198 nan 8.290 nan 0.000 0.389 291 P HA 0.321 nan 4.420 nan 0.000 0.276 291 P C -1.353 175.955 177.300 0.013 0.000 1.244 291 P CA -0.035 63.130 63.100 0.109 0.000 0.801 291 P CB 0.502 32.230 31.700 0.047 0.000 1.006 292 F N 1.329 121.294 119.950 0.024 0.000 2.427 292 F HA 0.371 4.898 4.527 0.000 0.000 0.348 292 F C 0.778 176.591 175.800 0.021 0.000 1.125 292 F CA -0.138 57.877 58.000 0.024 0.000 0.989 292 F CB 0.971 39.994 39.000 0.037 0.000 1.165 292 F HN 0.127 nan 8.300 nan 0.000 0.442 293 N N 5.347 124.108 118.700 0.101 0.000 2.679 293 N HA 0.248 4.988 4.740 0.000 0.000 0.302 293 N C -1.130 174.417 175.510 0.062 0.000 1.941 293 N CA -0.055 53.041 53.050 0.076 0.000 0.875 293 N CB 1.127 39.634 38.487 0.033 0.000 1.278 293 N HN 0.436 nan 8.380 nan 0.000 0.490 294 L N 0.913 122.194 121.223 0.096 0.000 2.289 294 L HA 0.546 4.886 4.340 0.000 0.000 0.285 294 L C -0.041 176.877 176.870 0.080 0.000 1.049 294 L CA -0.792 54.093 54.840 0.074 0.000 0.804 294 L CB 1.751 43.866 42.059 0.093 0.000 1.195 294 L HN -0.204 nan 8.230 nan 0.000 0.428 295 V N 4.807 124.760 119.914 0.065 0.000 2.444 295 V HA 0.394 4.514 4.120 0.000 0.000 0.294 295 V C -0.263 175.870 176.094 0.064 0.000 1.022 295 V CA -0.377 61.972 62.300 0.081 0.000 0.850 295 V CB 2.124 33.992 31.823 0.076 0.000 0.992 295 V HN 0.461 nan 8.190 nan 0.000 0.426 296 I N 8.521 129.136 120.570 0.076 0.000 2.328 296 I HA 0.422 4.592 4.170 0.000 0.000 0.287 296 I C -2.127 174.030 176.117 0.067 0.000 1.012 296 I CA -1.873 59.461 61.300 0.057 0.000 1.195 296 I CB 1.949 39.978 38.000 0.047 0.000 1.350 296 I HN 0.438 nan 8.210 nan 0.000 0.464 297 P HA 0.139 nan 4.420 nan 0.000 0.274 297 P C 0.643 177.968 177.300 0.042 0.000 1.231 297 P CA -0.230 62.897 63.100 0.045 0.000 0.790 297 P CB 0.809 32.525 31.700 0.028 0.000 0.951 298 T N 1.056 115.636 114.554 0.044 0.000 2.653 298 T HA -0.198 4.152 4.350 0.000 0.000 0.268 298 T C 1.608 176.323 174.700 0.025 0.000 1.035 298 T CA 2.116 64.240 62.100 0.039 0.000 1.154 298 T CB -0.914 67.979 68.868 0.043 0.000 0.862 298 T HN 0.646 nan 8.240 nan 0.000 0.441 299 N N 1.368 120.081 118.700 0.023 0.000 2.443 299 N HA -0.152 4.588 4.740 0.000 0.000 0.184 299 N C 1.391 176.911 175.510 0.017 0.000 1.037 299 N CA 0.998 54.060 53.050 0.020 0.000 0.896 299 N CB -0.212 38.286 38.487 0.019 0.000 0.959 299 N HN 0.510 nan 8.380 nan 0.000 0.442 300 E N 0.193 120.402 120.200 0.016 0.000 2.371 300 E HA 0.154 4.504 4.350 0.000 0.000 0.194 300 E C 0.172 176.773 176.600 0.003 0.000 1.012 300 E CA 0.094 56.501 56.400 0.011 0.000 0.860 300 E CB 0.208 29.916 29.700 0.013 0.000 0.811 300 E HN 0.439 nan 8.360 nan 0.000 0.502 301 I N 2.353 122.922 120.570 -0.001 0.000 2.260 301 I HA -0.024 4.146 4.170 0.000 0.000 0.297 301 I C 1.397 177.487 176.117 -0.045 0.000 1.143 301 I CA -0.059 61.228 61.300 -0.021 0.000 1.271 301 I CB 0.716 38.708 38.000 -0.013 0.000 1.461 301 I HN 0.036 nan 8.210 nan 0.000 0.530 302 T N 1.605 116.119 114.554 -0.067 0.000 3.055 302 T HA -0.005 4.345 4.350 0.000 0.000 0.265 302 T C 0.524 175.066 174.700 -0.263 0.000 1.111 302 T CA 0.300 62.350 62.100 -0.082 0.000 1.118 302 T CB -0.076 68.770 68.868 -0.036 0.000 0.909 302 T HN 0.692 nan 8.240 nan 0.000 0.501 303 Q N -0.583 119.001 119.800 -0.360 0.000 2.522 303 Q HA 0.548 4.888 4.340 0.000 0.000 0.285 303 Q C -3.482 172.393 176.000 -0.209 0.000 0.982 303 Q CA -2.562 52.900 55.803 -0.569 0.000 0.805 303 Q CB 0.814 28.738 28.738 -1.357 0.000 1.457 303 Q HN -0.121 nan 8.270 nan 0.000 0.394 304 P HA -0.021 nan 4.420 nan 0.000 0.261 304 P C -0.590 176.741 177.300 0.052 0.000 1.173 304 P CA 0.222 63.347 63.100 0.043 0.000 0.760 304 P CB 0.250 32.066 31.700 0.193 0.000 0.783 305 I N 3.147 123.739 120.570 0.037 0.000 2.441 305 I HA 0.075 4.245 4.170 0.000 0.000 0.287 305 I C 1.531 177.688 176.117 0.066 0.000 1.049 305 I CA 0.675 62.000 61.300 0.041 0.000 1.381 305 I CB 0.413 38.429 38.000 0.026 0.000 1.409 305 I HN 0.350 nan 8.210 nan 0.000 0.523 306 T N 3.283 117.876 114.554 0.064 0.000 2.954 306 T HA 0.130 4.480 4.350 0.000 0.000 0.252 306 T C 0.439 175.148 174.700 0.016 0.000 0.983 306 T CA 0.286 62.430 62.100 0.074 0.000 0.941 306 T CB 0.359 69.307 68.868 0.133 0.000 1.141 306 T HN 0.804 nan 8.240 nan 0.000 0.500 307 S N 0.106 115.805 115.700 -0.003 0.000 2.588 307 S HA 0.721 5.191 4.470 0.000 0.000 0.269 307 S C -1.482 173.111 174.600 -0.011 0.000 1.157 307 S CA -0.942 57.243 58.200 -0.025 0.000 0.824 307 S CB 1.847 65.035 63.200 -0.021 0.000 1.126 307 S HN 0.273 nan 8.310 nan 0.000 0.464 308 I N 1.228 121.796 120.570 -0.003 0.000 2.545 308 I HA 0.711 4.881 4.170 0.000 0.000 0.292 308 I C -1.319 174.788 176.117 -0.017 0.000 1.040 308 I CA -0.701 60.613 61.300 0.023 0.000 1.068 308 I CB 1.736 39.770 38.000 0.058 0.000 1.251 308 I HN 1.015 nan 8.210 nan 0.000 0.424 309 K N 6.363 126.715 120.400 -0.079 0.000 2.477 309 K HA 0.660 4.980 4.320 0.000 0.000 0.255 309 K C -2.023 174.401 176.600 -0.293 0.000 0.952 309 K CA -0.967 55.150 56.287 -0.284 0.000 0.826 309 K CB 2.437 34.842 32.500 -0.159 0.000 1.331 309 K HN 0.467 nan 8.250 nan 0.000 0.437 310 L N 1.093 121.960 121.223 -0.594 0.000 2.349 310 L HA 0.438 4.778 4.340 0.000 0.000 0.278 310 L C -1.187 175.619 176.870 -0.107 0.000 0.996 310 L CA -0.002 54.660 54.840 -0.297 0.000 0.825 310 L CB 1.773 43.614 42.059 -0.363 0.000 1.243 310 L HN 0.778 nan 8.230 nan 0.000 0.412 311 E N 5.139 125.379 120.200 0.066 0.000 2.214 311 E HA 0.574 4.924 4.350 0.000 0.000 0.274 311 E C -1.141 175.505 176.600 0.076 0.000 0.977 311 E CA -0.616 55.845 56.400 0.101 0.000 0.827 311 E CB 2.333 32.159 29.700 0.209 0.000 1.130 311 E HN 0.542 nan 8.360 nan 0.000 0.394 312 I N 2.250 122.866 120.570 0.077 0.000 2.466 312 I HA 0.260 4.430 4.170 0.000 0.000 0.289 312 I C -0.791 175.339 176.117 0.021 0.000 1.026 312 I CA -1.004 60.314 61.300 0.029 0.000 1.078 312 I CB 1.907 39.937 38.000 0.049 0.000 1.249 312 I HN 0.171 nan 8.210 nan 0.000 0.429 313 V N 4.209 124.110 119.914 -0.022 0.000 2.427 313 V HA 0.492 4.612 4.120 0.000 0.000 0.286 313 V C 0.025 176.105 176.094 -0.023 0.000 1.034 313 V CA -0.403 61.897 62.300 -0.000 0.000 0.893 313 V CB 1.484 33.309 31.823 0.003 0.000 0.982 313 V HN 0.731 nan 8.190 nan 0.000 0.452 314 T N 3.684 118.263 114.554 0.042 0.000 2.809 314 T HA 0.657 5.007 4.350 0.000 0.000 0.284 314 T C -0.135 174.654 174.700 0.148 0.000 0.992 314 T CA -0.518 61.641 62.100 0.098 0.000 0.957 314 T CB 1.395 70.383 68.868 0.200 0.000 0.942 314 T HN 0.933 nan 8.240 nan 0.000 0.439 315 S N 2.627 118.406 115.700 0.131 0.000 2.627 315 S HA 0.783 5.253 4.470 0.000 0.000 0.283 315 S C -1.217 173.491 174.600 0.180 0.000 1.127 315 S CA -1.126 57.183 58.200 0.181 0.000 0.863 315 S CB 2.344 65.625 63.200 0.135 0.000 1.121 315 S HN 0.557 nan 8.310 nan 0.000 0.479 316 K N 0.165 120.703 120.400 0.230 0.000 2.316 316 K HA 0.568 4.888 4.320 0.000 0.000 0.251 316 K C 0.658 177.280 176.600 0.036 0.000 0.934 316 K CA -0.663 55.680 56.287 0.094 0.000 0.802 316 K CB 1.844 34.345 32.500 0.001 0.000 1.171 316 K HN 0.641 nan 8.250 nan 0.000 0.426 317 S N 1.211 116.915 115.700 0.007 0.000 2.354 317 S HA -0.163 4.307 4.470 0.000 0.000 0.219 317 S C 1.520 176.091 174.600 -0.049 0.000 1.035 317 S CA 1.609 59.807 58.200 -0.005 0.000 1.037 317 S CB -0.356 62.843 63.200 -0.002 0.000 0.956 317 S HN 0.888 nan 8.310 nan 0.000 0.428 318 G N 0.530 109.272 108.800 -0.098 0.000 2.707 318 G HA2 0.378 4.338 3.960 0.000 0.000 0.204 318 G HA3 0.378 4.338 3.960 0.000 0.000 0.204 318 G C 0.576 175.298 174.900 -0.297 0.000 1.435 318 G CA 0.423 45.438 45.100 -0.142 0.000 0.890 318 G HN 1.295 nan 8.290 nan 0.000 0.552 319 G N -2.394 106.105 108.800 -0.502 0.000 2.788 319 G HA2 0.295 4.255 3.960 0.000 0.000 0.686 319 G HA3 0.295 4.255 3.960 0.000 0.000 0.686 319 G C -0.763 173.844 174.900 -0.489 0.000 1.147 319 G CA 0.165 44.584 45.100 -1.134 0.000 0.755 319 G HN 0.718 nan 8.290 nan 0.000 0.634 320 Q N -0.499 119.131 119.800 -0.283 0.000 2.870 320 Q HA 0.795 5.135 4.340 0.000 0.000 0.366 320 Q C 1.499 177.621 176.000 0.203 0.000 0.738 320 Q CA 0.051 55.871 55.803 0.029 0.000 0.870 320 Q CB 0.621 29.350 28.738 -0.015 0.000 1.237 320 Q HN 1.481 nan 8.270 nan 0.000 0.497 321 A N 0.395 123.285 122.820 0.118 0.000 1.889 321 A HA 0.226 4.546 4.320 0.000 0.000 0.209 321 A C 0.855 178.507 177.584 0.113 0.000 1.315 321 A CA 1.472 53.574 52.037 0.108 0.000 0.611 321 A CB -1.264 17.771 19.000 0.059 0.000 0.950 321 A HN 0.509 nan 8.150 nan 0.000 0.477 322 G N -0.979 107.863 108.800 0.069 0.000 2.350 322 G HA2 0.456 4.416 3.960 0.000 0.000 0.306 322 G HA3 0.456 4.416 3.960 0.000 0.000 0.306 322 G C -0.571 174.362 174.900 0.055 0.000 1.094 322 G CA -0.048 45.086 45.100 0.057 0.000 0.953 322 G HN 0.322 nan 8.290 nan 0.000 0.420 323 D N 0.635 121.082 120.400 0.078 0.000 2.473 323 D HA 0.036 4.676 4.640 0.000 0.000 0.242 323 D C 0.349 176.680 176.300 0.052 0.000 1.106 323 D CA 0.188 54.223 54.000 0.057 0.000 0.854 323 D CB 0.352 41.184 40.800 0.052 0.000 1.192 323 D HN 0.342 nan 8.370 nan 0.000 0.503 324 Q N 0.777 120.608 119.800 0.051 0.000 2.499 324 Q HA -0.185 4.155 4.340 0.000 0.000 0.262 324 Q C -0.344 175.676 176.000 0.034 0.000 1.328 324 Q CA 0.776 56.586 55.803 0.011 0.000 0.794 324 Q CB -1.430 27.297 28.738 -0.019 0.000 0.888 324 Q HN 0.445 nan 8.270 nan 0.000 0.305 325 M N 1.013 120.651 119.600 0.063 0.000 2.157 325 M HA 0.538 5.018 4.480 0.000 0.000 0.354 325 M C 0.280 176.632 176.300 0.087 0.000 1.170 325 M CA -0.430 54.956 55.300 0.143 0.000 1.060 325 M CB 1.789 34.559 32.600 0.282 0.000 1.615 325 M HN 0.481 nan 8.290 nan 0.000 0.460 326 S N 3.063 118.832 115.700 0.115 0.000 2.541 326 S HA 0.866 5.336 4.470 0.000 0.000 0.280 326 S C -1.454 173.279 174.600 0.222 0.000 1.112 326 S CA -0.835 57.389 58.200 0.041 0.000 0.925 326 S CB 1.738 64.912 63.200 -0.044 0.000 1.067 326 S HN 0.968 nan 8.310 nan 0.000 0.479 327 W N 0.191 121.676 121.300 0.307 0.000 3.118 327 W HA 0.721 5.381 4.660 0.000 0.000 0.328 327 W C -1.224 175.427 176.519 0.220 0.000 1.239 327 W CA -0.875 56.616 57.345 0.243 0.000 1.176 327 W CB 1.252 30.873 29.460 0.269 0.000 1.433 327 W HN 0.708 nan 8.180 nan 0.000 0.562 328 S N 1.057 117.115 115.700 0.597 0.000 2.475 328 S HA 0.807 5.277 4.470 0.000 0.000 0.298 328 S C -0.726 174.151 174.600 0.462 0.000 1.119 328 S CA -0.225 58.223 58.200 0.414 0.000 1.085 328 S CB 1.007 64.326 63.200 0.199 0.000 1.028 328 S HN 0.833 nan 8.310 nan 0.000 0.489 329 A N 4.470 127.509 122.820 0.365 0.000 2.414 329 A HA 0.870 5.191 4.320 0.000 0.000 0.306 329 A C -0.603 176.966 177.584 -0.024 0.000 1.054 329 A CA -0.782 51.236 52.037 -0.032 0.000 0.724 329 A CB 1.441 20.396 19.000 -0.075 0.000 1.267 329 A HN 0.745 nan 8.150 nan 0.000 0.418 330 R N 0.776 121.173 120.500 -0.171 0.000 2.651 330 R HA 0.683 5.023 4.340 0.000 0.000 0.278 330 R C -0.577 175.648 176.300 -0.125 0.000 1.010 330 R CA 0.338 56.387 56.100 -0.085 0.000 0.896 330 R CB 2.193 32.466 30.300 -0.045 0.000 1.211 330 R HN 2.071 nan 8.270 nan 0.000 0.456 331 G N 0.911 109.658 108.800 -0.089 0.000 2.333 331 G HA2 0.093 4.053 3.960 0.000 0.000 0.330 331 G HA3 0.093 4.053 3.960 0.000 0.000 0.330 331 G C -1.719 173.111 174.900 -0.117 0.000 1.465 331 G CA -0.643 44.402 45.100 -0.092 0.000 0.996 331 G HN 0.566 nan 8.290 nan 0.000 0.655 332 S N -0.543 115.084 115.700 -0.121 0.000 2.566 332 S HA 0.882 5.352 4.470 0.000 0.000 0.298 332 S C -0.272 174.211 174.600 -0.194 0.000 1.083 332 S CA -0.958 57.142 58.200 -0.166 0.000 0.978 332 S CB 2.084 65.206 63.200 -0.131 0.000 1.073 332 S HN 0.768 nan 8.310 nan 0.000 0.491 333 L N 0.917 121.987 121.223 -0.256 0.000 2.319 333 L HA 0.887 5.227 4.340 0.000 0.000 0.267 333 L C -0.256 176.524 176.870 -0.150 0.000 1.011 333 L CA -1.130 53.553 54.840 -0.262 0.000 0.818 333 L CB 1.774 43.594 42.059 -0.399 0.000 1.316 333 L HN 0.845 nan 8.230 nan 0.000 0.432 334 A N 1.644 124.412 122.820 -0.086 0.000 2.330 334 A HA 0.719 5.039 4.320 0.000 0.000 0.313 334 A C -0.897 176.693 177.584 0.010 0.000 1.124 334 A CA -0.471 51.550 52.037 -0.027 0.000 0.774 334 A CB 1.499 20.489 19.000 -0.016 0.000 1.198 334 A HN 0.368 nan 8.150 nan 0.000 0.465 335 V N 2.827 122.777 119.914 0.060 0.000 2.328 335 V HA 0.403 4.523 4.120 0.000 0.000 0.278 335 V C 0.108 176.251 176.094 0.082 0.000 1.021 335 V CA -0.224 62.132 62.300 0.093 0.000 0.838 335 V CB 1.179 33.092 31.823 0.150 0.000 0.999 335 V HN 0.871 nan 8.190 nan 0.000 0.447 336 T N 7.024 121.566 114.554 -0.019 0.000 2.743 336 T HA 0.483 4.833 4.350 0.000 0.000 0.292 336 T C -0.021 174.533 174.700 -0.243 0.000 0.972 336 T CA -0.149 61.879 62.100 -0.120 0.000 0.967 336 T CB 0.651 69.429 68.868 -0.150 0.000 0.926 336 T HN 0.616 nan 8.240 nan 0.000 0.459 337 I N 1.857 122.338 120.570 -0.148 0.000 2.312 337 I HA 0.405 4.575 4.170 0.000 0.000 0.290 337 I C -0.243 175.790 176.117 -0.140 0.000 1.008 337 I CA -0.800 60.409 61.300 -0.151 0.000 1.226 337 I CB 0.680 38.696 38.000 0.027 0.000 1.371 337 I HN 0.546 nan 8.210 nan 0.000 0.468 338 H N 5.359 124.454 119.070 0.043 0.000 2.886 338 H HA 0.132 4.688 4.556 0.000 0.000 0.329 338 H C 1.476 176.816 175.328 0.020 0.000 1.044 338 H CA 1.060 57.124 56.048 0.027 0.000 1.456 338 H CB 0.863 30.637 29.762 0.020 0.000 1.464 338 H HN 1.027 nan 8.280 nan 0.000 0.573 339 G N 2.673 111.553 108.800 0.133 0.000 2.180 339 G HA2 -0.354 3.606 3.960 0.000 0.000 0.263 339 G HA3 -0.354 3.606 3.960 0.000 0.000 0.263 339 G C 1.549 176.499 174.900 0.084 0.000 0.989 339 G CA 0.831 45.979 45.100 0.080 0.000 0.692 339 G HN 0.867 nan 8.290 nan 0.000 0.526 340 G N 0.113 108.952 108.800 0.065 0.000 2.432 340 G HA2 -0.183 3.777 3.960 0.000 0.000 0.219 340 G HA3 -0.183 3.777 3.960 0.000 0.000 0.219 340 G C 1.326 176.258 174.900 0.053 0.000 1.135 340 G CA 1.296 46.429 45.100 0.055 0.000 0.767 340 G HN 0.517 nan 8.290 nan 0.000 0.550 341 N N -0.850 117.875 118.700 0.041 0.000 2.336 341 N HA 0.061 4.801 4.740 0.000 0.000 0.189 341 N C -0.281 175.257 175.510 0.046 0.000 1.113 341 N CA -0.473 52.587 53.050 0.018 0.000 0.858 341 N CB -0.116 38.358 38.487 -0.020 0.000 0.970 341 N HN 0.430 nan 8.380 nan 0.000 0.471 342 Y N 2.685 122.967 120.300 -0.030 0.000 2.605 342 Y HA 0.143 4.693 4.550 0.000 0.000 0.336 342 Y C -2.105 173.771 175.900 -0.041 0.000 1.111 342 Y CA -2.017 56.061 58.100 -0.037 0.000 1.422 342 Y CB 0.500 38.930 38.460 -0.050 0.000 1.193 342 Y HN 0.004 nan 8.280 nan 0.000 0.526 343 P HA 0.080 nan 4.420 nan 0.000 0.260 343 P C 0.524 177.749 177.300 -0.124 0.000 1.185 343 P CA 1.943 64.897 63.100 -0.244 0.000 0.763 343 P CB 0.493 31.996 31.700 -0.327 0.000 0.776 344 G N 3.263 112.080 108.800 0.029 0.000 2.313 344 G HA2 -0.297 3.663 3.960 0.000 0.000 0.215 344 G HA3 -0.297 3.663 3.960 0.000 0.000 0.215 344 G C 1.207 176.225 174.900 0.196 0.000 1.023 344 G CA 0.330 45.508 45.100 0.130 0.000 0.626 344 G HN 0.611 nan 8.290 nan 0.000 0.503 345 A N -0.208 122.711 122.820 0.164 0.000 1.969 345 A HA 0.541 4.861 4.320 0.000 0.000 0.218 345 A C 2.184 179.890 177.584 0.203 0.000 1.169 345 A CA 2.041 54.136 52.037 0.098 0.000 0.635 345 A CB -0.196 18.841 19.000 0.061 0.000 0.810 345 A HN 0.977 nan 8.150 nan 0.000 0.445 346 L N -3.776 117.550 121.223 0.171 0.000 3.316 346 L HA 0.203 4.543 4.340 0.000 0.000 0.300 346 L C 2.053 179.052 176.870 0.214 0.000 1.128 346 L CA 0.197 55.135 54.840 0.164 0.000 1.111 346 L CB 0.067 42.204 42.059 0.130 0.000 1.687 346 L HN 0.295 nan 8.230 nan 0.000 0.594 347 R N 1.740 122.335 120.500 0.159 0.000 2.072 347 R HA 0.081 4.421 4.340 0.000 0.000 0.221 347 R C -1.770 174.595 176.300 0.109 0.000 1.166 347 R CA 0.688 56.846 56.100 0.097 0.000 0.917 347 R CB -0.906 29.407 30.300 0.021 0.000 0.815 347 R HN 0.018 nan 8.270 nan 0.000 0.444 348 P HA 0.122 nan 4.420 nan 0.000 0.275 348 P C -1.302 176.111 177.300 0.188 0.000 1.227 348 P CA 0.144 63.292 63.100 0.081 0.000 0.781 348 P CB 1.504 33.230 31.700 0.043 0.000 0.906 349 V N 3.302 123.332 119.914 0.193 0.000 2.588 349 V HA 0.388 4.508 4.120 0.000 0.000 0.304 349 V C 0.075 176.245 176.094 0.126 0.000 1.042 349 V CA -0.288 62.119 62.300 0.179 0.000 0.877 349 V CB 2.247 34.196 31.823 0.209 0.000 0.996 349 V HN 0.468 nan 8.190 nan 0.000 0.425 350 T N 6.038 120.639 114.554 0.079 0.000 2.770 350 T HA 0.632 4.982 4.350 0.000 0.000 0.283 350 T C -0.620 174.113 174.700 0.055 0.000 0.988 350 T CA -0.280 61.876 62.100 0.094 0.000 0.957 350 T CB 0.926 69.872 68.868 0.130 0.000 0.930 350 T HN 0.233 nan 8.240 nan 0.000 0.443 351 L N 4.092 125.321 121.223 0.009 0.000 2.282 351 L HA 0.557 4.897 4.340 0.000 0.000 0.288 351 L C -0.360 176.517 176.870 0.012 0.000 1.033 351 L CA -0.428 54.378 54.840 -0.055 0.000 0.807 351 L CB 1.699 43.693 42.059 -0.110 0.000 1.209 351 L HN 0.384 nan 8.230 nan 0.000 0.423 352 V N 3.414 123.345 119.914 0.028 0.000 2.326 352 V HA 0.751 4.871 4.120 0.000 0.000 0.281 352 V C 0.084 176.257 176.094 0.131 0.000 1.015 352 V CA -0.669 61.696 62.300 0.108 0.000 0.823 352 V CB 1.265 33.215 31.823 0.211 0.000 1.009 352 V HN 0.828 nan 8.190 nan 0.000 0.436 353 A N 5.571 128.464 122.820 0.123 0.000 2.317 353 A HA 0.915 5.235 4.320 0.000 0.000 0.327 353 A C -0.901 176.916 177.584 0.389 0.000 1.178 353 A CA -0.485 51.660 52.037 0.180 0.000 0.817 353 A CB 0.850 19.931 19.000 0.134 0.000 1.189 353 A HN 0.978 nan 8.150 nan 0.000 0.489 354 Y N -0.013 120.482 120.300 0.326 0.000 2.524 354 Y HA 0.794 5.344 4.550 0.000 0.000 0.344 354 Y C -0.309 175.658 175.900 0.112 0.000 1.012 354 Y CA -0.944 57.316 58.100 0.267 0.000 1.068 354 Y CB 1.363 39.917 38.460 0.157 0.000 1.249 354 Y HN 0.850 nan 8.280 nan 0.000 0.468 355 E N 0.827 121.039 120.200 0.020 0.000 2.412 355 E HA 0.566 4.916 4.350 0.000 0.000 0.279 355 E C -0.555 175.996 176.600 -0.081 0.000 0.984 355 E CA -1.287 55.006 56.400 -0.178 0.000 0.788 355 E CB 1.524 30.883 29.700 -0.568 0.000 1.277 355 E HN 0.582 nan 8.360 nan 0.000 0.455 356 R N -0.892 119.573 120.500 -0.059 0.000 3.989 356 R HA -0.102 4.238 4.340 0.000 0.000 0.377 356 R C -0.441 175.874 176.300 0.025 0.000 1.158 356 R CA 0.855 56.938 56.100 -0.029 0.000 1.035 356 R CB -2.821 27.444 30.300 -0.057 0.000 1.557 356 R HN 0.485 nan 8.270 nan 0.000 0.551 357 V N 1.414 121.377 119.914 0.082 0.000 2.614 357 V HA 0.435 4.555 4.120 0.000 0.000 0.291 357 V C 1.453 177.581 176.094 0.058 0.000 1.049 357 V CA -0.037 62.310 62.300 0.078 0.000 1.038 357 V CB 1.528 33.416 31.823 0.108 0.000 0.980 357 V HN 0.366 nan 8.190 nan 0.000 0.481 358 A N 3.879 126.718 122.820 0.031 0.000 2.511 358 A HA 0.322 4.642 4.320 0.000 0.000 0.242 358 A C 0.768 178.371 177.584 0.031 0.000 1.069 358 A CA -0.002 52.050 52.037 0.024 0.000 0.763 358 A CB -0.305 18.703 19.000 0.014 0.000 1.001 358 A HN 0.866 nan 8.150 nan 0.000 0.498 359 T N 1.870 116.442 114.554 0.031 0.000 2.908 359 T HA 0.400 4.750 4.350 0.000 0.000 0.301 359 T C 1.544 176.260 174.700 0.026 0.000 1.019 359 T CA 1.613 63.735 62.100 0.036 0.000 1.152 359 T CB 0.408 69.293 68.868 0.027 0.000 0.966 359 T HN 2.027 nan 8.240 nan 0.000 0.540 360 G N 2.706 111.524 108.800 0.030 0.000 2.175 360 G HA2 -0.276 3.684 3.960 0.000 0.000 0.244 360 G HA3 -0.276 3.684 3.960 0.000 0.000 0.244 360 G C 0.376 175.281 174.900 0.009 0.000 0.982 360 G CA 0.115 45.227 45.100 0.019 0.000 0.641 360 G HN 1.135 nan 8.290 nan 0.000 0.527 361 S N -0.710 114.992 115.700 0.004 0.000 2.632 361 S HA 0.722 5.192 4.470 0.000 0.000 0.267 361 S C 0.139 174.719 174.600 -0.034 0.000 1.276 361 S CA -0.272 57.919 58.200 -0.014 0.000 0.998 361 S CB 2.499 65.689 63.200 -0.017 0.000 0.953 361 S HN 0.983 nan 8.310 nan 0.000 0.547 362 V N 1.904 121.790 119.914 -0.045 0.000 2.394 362 V HA 0.353 4.473 4.120 0.000 0.000 0.282 362 V C -0.266 175.764 176.094 -0.105 0.000 1.031 362 V CA -0.756 61.507 62.300 -0.062 0.000 0.881 362 V CB 1.305 33.105 31.823 -0.038 0.000 0.982 362 V HN 0.775 nan 8.190 nan 0.000 0.451 363 V N 4.611 124.423 119.914 -0.169 0.000 2.364 363 V HA 0.311 4.431 4.120 0.000 0.000 0.272 363 V C 0.476 176.487 176.094 -0.138 0.000 1.036 363 V CA -0.086 62.082 62.300 -0.221 0.000 0.880 363 V CB 1.648 33.205 31.823 -0.444 0.000 0.991 363 V HN 0.970 nan 8.190 nan 0.000 0.460 364 T N 5.283 119.792 114.554 -0.076 0.000 2.767 364 T HA 0.532 4.882 4.350 0.000 0.000 0.288 364 T C -0.234 174.475 174.700 0.015 0.000 0.963 364 T CA -0.272 61.815 62.100 -0.022 0.000 1.019 364 T CB 1.418 70.277 68.868 -0.014 0.000 0.923 364 T HN 0.333 nan 8.240 nan 0.000 0.468 365 V N 2.658 122.611 119.914 0.066 0.000 2.459 365 V HA 0.835 4.955 4.120 0.000 0.000 0.295 365 V C -0.092 176.070 176.094 0.112 0.000 1.029 365 V CA -0.816 61.562 62.300 0.129 0.000 0.874 365 V CB 1.413 33.374 31.823 0.229 0.000 0.985 365 V HN 1.069 nan 8.190 nan 0.000 0.438 366 A N 3.407 126.271 122.820 0.073 0.000 2.398 366 A HA 0.971 5.291 4.320 0.000 0.000 0.301 366 A C -0.169 177.425 177.584 0.016 0.000 1.041 366 A CA -0.012 52.049 52.037 0.041 0.000 0.711 366 A CB 1.890 20.900 19.000 0.016 0.000 1.240 366 A HN 1.209 nan 8.150 nan 0.000 0.420 367 G N -0.315 108.499 108.800 0.023 0.000 2.690 367 G HA2 0.637 4.597 3.960 0.000 0.000 0.291 367 G HA3 0.637 4.597 3.960 0.000 0.000 0.291 367 G C -1.779 173.126 174.900 0.008 0.000 1.403 367 G CA -0.558 44.534 45.100 -0.012 0.000 0.864 367 G HN 1.126 nan 8.290 nan 0.000 0.480 368 V N 0.267 120.172 119.914 -0.014 0.000 2.638 368 V HA 0.689 4.809 4.120 0.000 0.000 0.306 368 V C -0.261 175.815 176.094 -0.030 0.000 1.052 368 V CA -0.709 61.592 62.300 0.003 0.000 0.885 368 V CB 1.916 33.739 31.823 -0.000 0.000 0.999 368 V HN 0.758 nan 8.190 nan 0.000 0.424 369 S N 4.092 119.784 115.700 -0.014 0.000 2.482 369 S HA 0.581 5.051 4.470 0.000 0.000 0.303 369 S C -0.648 173.761 174.600 -0.319 0.000 1.091 369 S CA -0.810 57.284 58.200 -0.176 0.000 1.057 369 S CB 1.188 64.356 63.200 -0.053 0.000 1.031 369 S HN 0.752 nan 8.310 nan 0.000 0.485 370 N N 1.718 120.103 118.700 -0.525 0.000 2.321 370 N HA 0.609 5.349 4.740 0.000 0.000 0.299 370 N C -1.496 173.651 175.510 -0.606 0.000 1.048 370 N CA -0.227 52.604 53.050 -0.365 0.000 0.836 370 N CB 1.395 39.799 38.487 -0.137 0.000 1.269 370 N HN 0.404 nan 8.380 nan 0.000 0.486 371 F N 0.016 119.985 119.950 0.032 0.000 2.576 371 F HA 0.335 4.862 4.527 0.000 0.000 0.313 371 F C 0.498 176.304 175.800 0.011 0.000 1.078 371 F CA -0.876 57.126 58.000 0.002 0.000 0.921 371 F CB 1.899 40.873 39.000 -0.045 0.000 1.232 371 F HN 0.148 nan 8.300 nan 0.000 0.459 372 E N 2.948 123.253 120.200 0.174 0.000 2.227 372 E HA 0.607 4.957 4.350 0.000 0.000 0.282 372 E C -1.156 175.577 176.600 0.221 0.000 1.015 372 E CA -0.433 56.052 56.400 0.141 0.000 0.823 372 E CB 1.571 31.169 29.700 -0.171 0.000 1.081 372 E HN 0.413 nan 8.360 nan 0.000 0.396 373 L N 3.688 125.066 121.223 0.260 0.000 2.388 373 L HA 0.556 4.896 4.340 0.000 0.000 0.264 373 L C -0.658 176.387 176.870 0.292 0.000 0.998 373 L CA -0.823 54.109 54.840 0.153 0.000 0.817 373 L CB 1.863 43.688 42.059 -0.390 0.000 1.338 373 L HN 0.429 nan 8.230 nan 0.000 0.414 374 I N 3.411 124.184 120.570 0.338 0.000 2.362 374 I HA 0.355 4.525 4.170 0.000 0.000 0.289 374 I C -2.214 174.138 176.117 0.392 0.000 0.994 374 I CA -2.010 59.465 61.300 0.291 0.000 1.158 374 I CB 1.978 40.093 38.000 0.192 0.000 1.315 374 I HN 0.246 nan 8.210 nan 0.000 0.451 375 P HA 0.058 nan 4.420 nan 0.000 0.272 375 P C -0.982 176.354 177.300 0.059 0.000 1.223 375 P CA -0.342 62.851 63.100 0.155 0.000 0.784 375 P CB 0.278 32.010 31.700 0.053 0.000 0.923 376 N N 2.408 121.074 118.700 -0.057 0.000 2.354 376 N HA 0.079 4.819 4.740 0.000 0.000 0.246 376 N C -1.976 173.514 175.510 -0.032 0.000 1.285 376 N CA -1.614 51.413 53.050 -0.038 0.000 0.925 376 N CB -1.360 37.081 38.487 -0.077 0.000 1.174 376 N HN 0.153 nan 8.380 nan 0.000 0.478 377 P HA -0.160 nan 4.420 nan 0.000 0.216 377 P C 0.976 178.259 177.300 -0.027 0.000 1.150 377 P CA 1.498 64.589 63.100 -0.014 0.000 0.843 377 P CB 0.201 31.895 31.700 -0.010 0.000 0.787 378 E N -0.950 119.225 120.200 -0.042 0.000 2.072 378 E HA -0.102 4.248 4.350 0.000 0.000 0.190 378 E C 1.762 178.330 176.600 -0.053 0.000 0.982 378 E CA 0.736 57.110 56.400 -0.044 0.000 0.803 378 E CB -1.039 28.633 29.700 -0.047 0.000 0.755 378 E HN 0.015 nan 8.360 nan 0.000 0.453 379 L N -0.018 121.156 121.223 -0.081 0.000 2.156 379 L HA 0.111 4.452 4.340 0.000 0.000 0.208 379 L C 2.036 178.875 176.870 -0.052 0.000 1.095 379 L CA 1.490 56.273 54.840 -0.094 0.000 0.770 379 L CB -0.671 41.272 42.059 -0.193 0.000 0.914 379 L HN 0.180 nan 8.230 nan 0.000 0.439 380 A N -0.884 121.914 122.820 -0.036 0.000 2.131 380 A HA -0.227 4.093 4.320 0.000 0.000 0.220 380 A C 2.178 179.755 177.584 -0.011 0.000 1.158 380 A CA 1.532 53.562 52.037 -0.010 0.000 0.665 380 A CB -0.525 18.474 19.000 -0.002 0.000 0.795 380 A HN 0.476 nan 8.150 nan 0.000 0.460 381 K N -0.791 119.599 120.400 -0.017 0.000 2.366 381 K HA 0.015 4.335 4.320 0.000 0.000 0.198 381 K C 0.374 176.967 176.600 -0.010 0.000 1.044 381 K CA 0.850 57.129 56.287 -0.013 0.000 0.973 381 K CB 0.055 32.546 32.500 -0.015 0.000 0.767 381 K HN 0.388 nan 8.250 nan 0.000 0.475 382 N N -0.158 118.536 118.700 -0.011 0.000 2.118 382 N HA 0.047 4.787 4.740 0.000 0.000 0.226 382 N C -1.017 174.495 175.510 0.004 0.000 1.305 382 N CA -0.048 52.999 53.050 -0.005 0.000 0.890 382 N CB 1.076 39.558 38.487 -0.008 0.000 1.118 382 N HN -0.017 nan 8.380 nan 0.000 0.511 383 L N 2.496 123.723 121.223 0.008 0.000 2.318 383 L HA 0.442 4.782 4.340 0.000 0.000 0.277 383 L C -0.318 176.564 176.870 0.021 0.000 1.008 383 L CA -0.568 54.289 54.840 0.028 0.000 0.846 383 L CB 1.232 43.321 42.059 0.049 0.000 1.220 383 L HN -0.277 nan 8.230 nan 0.000 0.423 384 V N 4.108 124.030 119.914 0.013 0.000 2.585 384 V HA 0.249 4.369 4.120 0.000 0.000 0.296 384 V C 0.841 176.925 176.094 -0.017 0.000 1.035 384 V CA 0.008 62.304 62.300 -0.006 0.000 1.084 384 V CB 1.263 33.082 31.823 -0.008 0.000 0.953 384 V HN 0.908 nan 8.190 nan 0.000 0.483 385 T N 2.489 117.013 114.554 -0.050 0.000 2.912 385 T HA 0.811 5.161 4.350 0.000 0.000 0.288 385 T C -0.757 173.842 174.700 -0.168 0.000 1.030 385 T CA -0.904 61.139 62.100 -0.096 0.000 1.020 385 T CB 2.292 71.106 68.868 -0.091 0.000 1.056 385 T HN 0.678 nan 8.240 nan 0.000 0.480 386 E N 0.146 120.197 120.200 -0.248 0.000 2.408 386 E HA 0.361 4.711 4.350 0.000 0.000 0.275 386 E C -1.279 175.113 176.600 -0.346 0.000 0.935 386 E CA -0.980 55.267 56.400 -0.255 0.000 0.775 386 E CB 1.836 31.455 29.700 -0.135 0.000 1.277 386 E HN 0.650 nan 8.360 nan 0.000 0.455 387 Y N 0.502 120.759 120.300 -0.071 0.000 2.480 387 Y HA 0.232 4.782 4.550 0.000 0.000 0.338 387 Y C 1.428 177.324 175.900 -0.008 0.000 1.220 387 Y CA 0.185 58.284 58.100 -0.002 0.000 1.430 387 Y CB 0.529 39.004 38.460 0.025 0.000 1.311 387 Y HN 0.606 nan 8.280 nan 0.000 0.575 388 G N 2.824 111.808 108.800 0.306 0.000 2.559 388 G HA2 0.062 4.022 3.960 0.000 0.000 0.235 388 G HA3 0.062 4.022 3.960 0.000 0.000 0.235 388 G C -0.215 174.802 174.900 0.195 0.000 1.266 388 G CA -0.884 44.370 45.100 0.257 0.000 0.847 388 G HN 0.437 nan 8.290 nan 0.000 0.583 389 R N -0.120 120.470 120.500 0.151 0.000 2.538 389 R HA -0.014 4.326 4.340 0.000 0.000 0.282 389 R C -0.320 176.090 176.300 0.183 0.000 1.009 389 R CA -0.431 55.754 56.100 0.141 0.000 1.063 389 R CB -0.006 30.350 30.300 0.093 0.000 0.945 389 R HN 0.381 nan 8.270 nan 0.000 0.414 390 F N 4.869 124.838 119.950 0.033 0.000 2.421 390 F HA 0.166 4.693 4.527 0.000 0.000 0.358 390 F C -0.339 175.469 175.800 0.013 0.000 1.115 390 F CA -1.392 56.618 58.000 0.017 0.000 1.160 390 F CB 0.459 39.463 39.000 0.007 0.000 1.123 390 F HN 0.483 nan 8.300 nan 0.000 0.508 391 D N 8.080 128.174 120.400 -0.511 0.000 2.620 391 D HA 0.323 4.963 4.640 0.000 0.000 0.252 391 D C -3.290 172.594 176.300 -0.695 0.000 1.207 391 D CA -2.038 51.548 54.000 -0.691 0.000 0.884 391 D CB 1.740 42.361 40.800 -0.299 0.000 1.262 391 D HN 0.215 nan 8.370 nan 0.000 0.552 392 P HA 0.284 nan 4.420 nan 0.000 0.274 392 P C 1.012 178.201 177.300 -0.185 0.000 1.231 392 P CA 0.446 63.305 63.100 -0.401 0.000 0.790 392 P CB 1.080 32.631 31.700 -0.249 0.000 0.951 393 G N 1.387 110.150 108.800 -0.063 0.000 2.205 393 G HA2 -0.356 3.604 3.960 0.000 0.000 0.261 393 G HA3 -0.356 3.604 3.960 0.000 0.000 0.261 393 G C 1.124 176.047 174.900 0.039 0.000 0.980 393 G CA 0.715 45.815 45.100 0.000 0.000 0.632 393 G HN 0.738 nan 8.290 nan 0.000 0.533 394 A N -0.492 122.320 122.820 -0.013 0.000 1.877 394 A HA 0.202 4.522 4.320 0.000 0.000 0.216 394 A C 2.272 179.921 177.584 0.108 0.000 1.186 394 A CA 2.830 54.896 52.037 0.050 0.000 0.620 394 A CB -0.368 18.627 19.000 -0.009 0.000 0.822 394 A HN 1.151 nan 8.150 nan 0.000 0.443 395 M N 0.838 120.452 119.600 0.023 0.000 2.132 395 M HA -0.078 4.402 4.480 0.000 0.000 0.263 395 M C 1.540 177.890 176.300 0.083 0.000 1.065 395 M CA 1.728 57.036 55.300 0.012 0.000 1.122 395 M CB -0.953 31.622 32.600 -0.041 0.000 1.365 395 M HN 0.512 nan 8.290 nan 0.000 0.411 396 N N -1.319 117.435 118.700 0.090 0.000 2.166 396 N HA -0.217 4.523 4.740 0.000 0.000 0.186 396 N C 1.732 177.320 175.510 0.130 0.000 1.019 396 N CA 1.604 54.712 53.050 0.096 0.000 0.856 396 N CB -0.404 38.136 38.487 0.088 0.000 0.993 396 N HN 0.428 nan 8.380 nan 0.000 0.426 397 Y N 2.341 122.673 120.300 0.053 0.000 2.200 397 Y HA -0.160 4.390 4.550 0.000 0.000 0.290 397 Y C 2.523 178.480 175.900 0.096 0.000 1.137 397 Y CA 1.407 59.549 58.100 0.070 0.000 1.163 397 Y CB -0.468 38.035 38.460 0.071 0.000 0.988 397 Y HN -0.033 nan 8.280 nan 0.000 0.518 398 T N 0.186 114.871 114.554 0.219 0.000 2.708 398 T HA -0.202 4.148 4.350 0.000 0.000 0.266 398 T C 1.801 176.564 174.700 0.105 0.000 1.037 398 T CA 1.912 64.129 62.100 0.196 0.000 1.146 398 T CB -0.198 68.860 68.868 0.316 0.000 0.865 398 T HN 0.266 nan 8.240 nan 0.000 0.435 399 K N 0.376 120.832 120.400 0.093 0.000 2.097 399 K HA -0.011 4.309 4.320 0.000 0.000 0.206 399 K C 2.198 178.799 176.600 0.003 0.000 1.049 399 K CA 0.841 57.166 56.287 0.062 0.000 0.933 399 K CB -0.344 32.193 32.500 0.061 0.000 0.717 399 K HN 0.136 nan 8.250 nan 0.000 0.442 400 L N 1.318 122.514 121.223 -0.045 0.000 1.994 400 L HA -0.177 4.163 4.340 0.000 0.000 0.208 400 L C 1.899 178.693 176.870 -0.127 0.000 1.071 400 L CA 1.582 56.364 54.840 -0.096 0.000 0.745 400 L CB -0.378 41.588 42.059 -0.154 0.000 0.892 400 L HN 0.083 nan 8.230 nan 0.000 0.431 401 I N -0.286 120.163 120.570 -0.201 0.000 2.127 401 I HA -0.319 3.851 4.170 0.000 0.000 0.241 401 I C 2.600 178.682 176.117 -0.057 0.000 1.075 401 I CA 1.656 62.863 61.300 -0.155 0.000 1.334 401 I CB -1.271 36.630 38.000 -0.166 0.000 1.040 401 I HN 0.323 nan 8.210 nan 0.000 0.405 402 L N 0.037 121.246 121.223 -0.022 0.000 2.093 402 L HA -0.185 4.155 4.340 0.000 0.000 0.208 402 L C 2.699 179.558 176.870 -0.019 0.000 1.085 402 L CA 1.412 56.249 54.840 -0.005 0.000 0.755 402 L CB -0.612 41.464 42.059 0.028 0.000 0.904 402 L HN 0.277 nan 8.230 nan 0.000 0.435 403 S N -0.224 115.464 115.700 -0.020 0.000 2.400 403 S HA -0.164 4.306 4.470 0.000 0.000 0.232 403 S C 1.521 176.105 174.600 -0.025 0.000 1.025 403 S CA 1.198 59.385 58.200 -0.021 0.000 0.993 403 S CB -0.073 63.117 63.200 -0.018 0.000 0.808 403 S HN 0.403 nan 8.310 nan 0.000 0.478 404 E N 0.631 120.813 120.200 -0.029 0.000 2.499 404 E HA 0.158 4.508 4.350 0.000 0.000 0.199 404 E C 1.531 178.117 176.600 -0.022 0.000 1.016 404 E CA -0.271 56.116 56.400 -0.023 0.000 0.933 404 E CB -0.010 29.679 29.700 -0.019 0.000 1.050 404 E HN 0.506 nan 8.360 nan 0.000 0.462 405 R N 1.474 121.955 120.500 -0.032 0.000 2.112 405 R HA -0.200 4.140 4.340 0.000 0.000 0.242 405 R C 0.897 177.160 176.300 -0.061 0.000 1.137 405 R CA 1.881 57.955 56.100 -0.044 0.000 0.944 405 R CB 0.104 30.371 30.300 -0.054 0.000 0.857 405 R HN 0.085 nan 8.270 nan 0.000 0.435 406 D N -0.269 120.094 120.400 -0.061 0.000 2.149 406 D HA -0.158 4.482 4.640 0.000 0.000 0.201 406 D C 2.026 178.293 176.300 -0.056 0.000 0.972 406 D CA 1.413 55.369 54.000 -0.073 0.000 0.835 406 D CB -0.220 40.541 40.800 -0.065 0.000 0.966 406 D HN 0.450 nan 8.370 nan 0.000 0.476 407 R N 0.782 121.264 120.500 -0.031 0.000 2.148 407 R HA 0.019 4.359 4.340 0.000 0.000 0.223 407 R C 1.992 178.296 176.300 0.006 0.000 1.088 407 R CA 0.778 56.870 56.100 -0.013 0.000 0.985 407 R CB -0.428 29.871 30.300 -0.001 0.000 0.880 407 R HN 0.145 nan 8.270 nan 0.000 0.451 408 L N 0.329 121.561 121.223 0.015 0.000 2.446 408 L HA 0.280 4.620 4.340 0.000 0.000 0.219 408 L C 0.908 177.802 176.870 0.040 0.000 1.116 408 L CA 0.509 55.391 54.840 0.070 0.000 0.844 408 L CB 0.013 42.135 42.059 0.106 0.000 0.970 408 L HN 0.628 nan 8.230 nan 0.000 0.457 409 G N 1.538 110.302 108.800 -0.061 0.000 2.272 409 G HA2 -0.286 3.674 3.960 0.000 0.000 0.280 409 G HA3 -0.286 3.674 3.960 0.000 0.000 0.280 409 G C 0.033 174.735 174.900 -0.330 0.000 1.067 409 G CA -0.203 44.792 45.100 -0.175 0.000 0.902 409 G HN 0.299 nan 8.290 nan 0.000 0.500 410 I N 0.815 121.234 120.570 -0.252 0.000 2.294 410 I HA 0.214 4.384 4.170 0.000 0.000 0.295 410 I C 0.910 176.806 176.117 -0.368 0.000 1.098 410 I CA -0.049 61.097 61.300 -0.257 0.000 1.277 410 I CB 0.445 38.400 38.000 -0.076 0.000 1.434 410 I HN 0.083 nan 8.210 nan 0.000 0.498 411 K N 3.370 123.282 120.400 -0.814 0.000 2.087 411 K HA 0.337 4.657 4.320 0.000 0.000 0.255 411 K C 1.143 177.506 176.600 -0.395 0.000 0.988 411 K CA -0.463 55.304 56.287 -0.867 0.000 0.915 411 K CB 1.234 32.774 32.500 -1.599 0.000 1.043 411 K HN 0.560 nan 8.250 nan 0.000 0.457 412 T N -3.116 111.281 114.554 -0.262 0.000 3.051 412 T HA 0.047 4.397 4.350 0.000 0.000 0.255 412 T C 0.684 175.359 174.700 -0.040 0.000 1.085 412 T CA -0.118 61.938 62.100 -0.073 0.000 1.109 412 T CB -0.139 68.692 68.868 -0.061 0.000 0.921 412 T HN 0.371 nan 8.240 nan 0.000 0.488 413 V N -1.702 118.111 119.914 -0.169 0.000 2.577 413 V HA 0.811 4.931 4.120 0.000 0.000 0.303 413 V C -1.811 174.198 176.094 -0.142 0.000 1.042 413 V CA -1.753 60.514 62.300 -0.056 0.000 0.872 413 V CB 0.888 32.689 31.823 -0.037 0.000 0.998 413 V HN 0.350 nan 8.190 nan 0.000 0.423 414 W N 3.595 124.850 121.300 -0.074 0.000 2.844 414 W HA 0.734 5.394 4.660 0.000 0.000 0.340 414 W C -2.718 173.800 176.519 -0.002 0.000 1.093 414 W CA -2.510 54.816 57.345 -0.031 0.000 1.212 414 W CB 1.812 31.273 29.460 0.000 0.000 1.422 414 W HN 0.344 nan 8.180 nan 0.000 0.515 415 P HA 0.073 nan 4.420 nan 0.000 0.271 415 P C 0.842 178.291 177.300 0.249 0.000 1.226 415 P CA 0.383 63.605 63.100 0.202 0.000 0.765 415 P CB 0.819 32.612 31.700 0.157 0.000 0.835 416 T N 2.800 117.459 114.554 0.175 0.000 2.699 416 T HA -0.235 4.115 4.350 0.000 0.000 0.268 416 T C 1.769 176.572 174.700 0.172 0.000 1.036 416 T CA 1.766 63.960 62.100 0.157 0.000 1.147 416 T CB -0.350 68.575 68.868 0.095 0.000 0.862 416 T HN 0.432 nan 8.240 nan 0.000 0.446 417 R N 1.472 122.056 120.500 0.141 0.000 2.091 417 R HA -0.099 4.241 4.340 0.000 0.000 0.238 417 R C 2.114 178.500 176.300 0.144 0.000 1.136 417 R CA 1.847 58.018 56.100 0.118 0.000 0.959 417 R CB -0.385 29.972 30.300 0.095 0.000 0.856 417 R HN 0.473 nan 8.270 nan 0.000 0.437 418 E N -1.177 119.148 120.200 0.209 0.000 2.152 418 E HA -0.202 4.148 4.350 0.000 0.000 0.192 418 E C 1.567 178.352 176.600 0.307 0.000 0.983 418 E CA 1.134 57.700 56.400 0.276 0.000 0.818 418 E CB -0.200 29.707 29.700 0.343 0.000 0.758 418 E HN 0.432 nan 8.360 nan 0.000 0.467 419 Y N 1.524 121.866 120.300 0.071 0.000 2.220 419 Y HA -0.177 4.373 4.550 0.000 0.000 0.291 419 Y C 2.354 178.156 175.900 -0.162 0.000 1.129 419 Y CA 1.623 59.474 58.100 -0.415 0.000 1.161 419 Y CB -0.330 37.733 38.460 -0.661 0.000 0.997 419 Y HN -0.112 nan 8.280 nan 0.000 0.522 420 T N 0.424 114.942 114.554 -0.059 0.000 2.684 420 T HA -0.187 4.163 4.350 0.000 0.000 0.267 420 T C 1.328 175.979 174.700 -0.081 0.000 1.036 420 T CA 1.761 63.807 62.100 -0.090 0.000 1.148 420 T CB -0.394 68.486 68.868 0.020 0.000 0.863 420 T HN 0.356 nan 8.240 nan 0.000 0.436 421 D N 0.438 120.845 120.400 0.012 0.000 2.123 421 D HA -0.066 4.574 4.640 0.000 0.000 0.196 421 D C 1.664 178.012 176.300 0.080 0.000 0.992 421 D CA 0.732 54.766 54.000 0.057 0.000 0.833 421 D CB -0.498 40.360 40.800 0.096 0.000 0.954 421 D HN 0.366 nan 8.370 nan 0.000 0.455 422 F N 1.801 121.694 119.950 -0.095 0.000 2.095 422 F HA -0.156 4.371 4.527 0.000 0.000 0.298 422 F C 2.282 178.038 175.800 -0.074 0.000 1.104 422 F CA 1.441 59.399 58.000 -0.070 0.000 1.232 422 F CB -0.084 38.793 39.000 -0.204 0.000 0.987 422 F HN -0.205 nan 8.300 nan 0.000 0.475 423 R N 0.371 120.654 120.500 -0.362 0.000 2.096 423 R HA -0.242 4.098 4.340 0.000 0.000 0.240 423 R C 2.363 178.536 176.300 -0.212 0.000 1.139 423 R CA 2.179 58.073 56.100 -0.344 0.000 0.952 423 R CB -0.794 29.300 30.300 -0.343 0.000 0.854 423 R HN 0.637 nan 8.270 nan 0.000 0.436 424 E N -0.607 119.510 120.200 -0.139 0.000 2.216 424 E HA -0.203 4.147 4.350 0.000 0.000 0.192 424 E C 1.649 178.198 176.600 -0.085 0.000 0.988 424 E CA 0.787 57.124 56.400 -0.104 0.000 0.834 424 E CB -0.294 29.372 29.700 -0.057 0.000 0.772 424 E HN 0.415 nan 8.360 nan 0.000 0.479 425 Y N 1.086 121.293 120.300 -0.156 0.000 2.130 425 Y HA -0.030 4.520 4.550 0.000 0.000 0.287 425 Y C 1.111 176.927 175.900 -0.140 0.000 1.124 425 Y CA 0.956 58.989 58.100 -0.111 0.000 1.118 425 Y CB -0.260 38.176 38.460 -0.040 0.000 0.994 425 Y HN 0.091 nan 8.280 nan 0.000 0.497 426 F N 0.510 120.293 119.950 -0.278 0.000 2.521 426 F HA -0.006 4.521 4.527 0.000 0.000 0.298 426 F C 1.017 176.640 175.800 -0.295 0.000 1.289 426 F CA 0.204 57.982 58.000 -0.370 0.000 1.315 426 F CB 0.197 38.778 39.000 -0.699 0.000 1.257 426 F HN 0.134 nan 8.300 nan 0.000 0.541 427 M N 2.132 120.767 119.600 -1.608 0.000 2.212 427 M HA -0.258 4.222 4.480 0.000 0.000 0.193 427 M C 0.273 176.259 176.300 -0.524 0.000 0.493 427 M CA 0.764 55.432 55.300 -1.052 0.000 0.427 427 M CB -1.116 31.083 32.600 -0.669 0.000 1.120 427 M HN 0.806 nan 8.290 nan 0.000 0.929 428 E N -1.087 118.839 120.200 -0.458 0.000 2.474 428 E HA 0.183 4.533 4.350 0.000 0.000 0.195 428 E C -0.034 176.419 176.600 -0.244 0.000 1.039 428 E CA 0.132 56.351 56.400 -0.301 0.000 0.881 428 E CB 0.704 30.234 29.700 -0.283 0.000 0.970 428 E HN 0.402 nan 8.360 nan 0.000 0.486 429 V N 0.924 120.674 119.914 -0.273 0.000 2.483 429 V HA 0.573 4.694 4.120 0.000 0.000 0.297 429 V C -0.660 175.315 176.094 -0.198 0.000 1.027 429 V CA -0.606 61.572 62.300 -0.203 0.000 0.855 429 V CB 1.620 33.342 31.823 -0.167 0.000 0.995 429 V HN 0.067 nan 8.190 nan 0.000 0.424 430 A N 3.062 125.792 122.820 -0.149 0.000 2.839 430 A HA 0.471 4.791 4.320 0.000 0.000 0.303 430 A C -0.402 177.127 177.584 -0.090 0.000 1.181 430 A CA -0.309 51.657 52.037 -0.119 0.000 0.808 430 A CB 0.580 19.508 19.000 -0.121 0.000 1.391 430 A HN 0.635 nan 8.150 nan 0.000 0.433 431 D N 2.370 122.722 120.400 -0.080 0.000 2.615 431 D HA 0.409 5.049 4.640 0.000 0.000 0.236 431 D C 1.152 177.421 176.300 -0.053 0.000 1.233 431 D CA 0.311 54.270 54.000 -0.068 0.000 0.829 431 D CB -0.485 40.273 40.800 -0.070 0.000 1.024 431 D HN 0.652 nan 8.370 nan 0.000 0.490 432 L N -1.504 119.690 121.223 -0.048 0.000 5.895 432 L HA -0.351 3.989 4.340 0.000 0.000 0.053 432 L C 0.613 177.462 176.870 -0.035 0.000 2.741 432 L CA 1.236 56.053 54.840 -0.037 0.000 1.500 432 L CB -1.649 40.391 42.059 -0.033 0.000 2.928 432 L HN 0.281 nan 8.230 nan 0.000 1.023 433 N N -0.388 118.294 118.700 -0.030 0.000 3.112 433 N HA 0.647 5.387 4.740 0.000 0.000 0.231 433 N C -0.379 175.116 175.510 -0.025 0.000 1.385 433 N CA 0.456 53.489 53.050 -0.028 0.000 0.790 433 N CB 0.489 38.962 38.487 -0.023 0.000 1.563 433 N HN 1.153 nan 8.380 nan 0.000 0.613 434 S N 1.055 116.739 115.700 -0.027 0.000 2.560 434 S HA 0.501 4.971 4.470 0.000 0.000 0.276 434 S C -1.252 173.336 174.600 -0.019 0.000 1.350 434 S CA -0.509 57.677 58.200 -0.024 0.000 1.024 434 S CB -0.716 62.468 63.200 -0.026 0.000 0.864 434 S HN 0.585 nan 8.310 nan 0.000 0.536 435 P HA -0.093 nan 4.420 nan 0.000 0.041 435 P C 0.191 177.484 177.300 -0.012 0.000 0.590 435 P CA 0.553 63.645 63.100 -0.014 0.000 1.019 435 P CB -0.685 31.008 31.700 -0.013 0.000 1.776 436 L N 0.590 121.805 121.223 -0.012 0.000 2.102 436 L HA -0.107 4.233 4.340 0.000 0.000 0.202 436 L C 2.683 179.548 176.870 -0.009 0.000 1.076 436 L CA 1.649 56.483 54.840 -0.010 0.000 0.761 436 L CB -1.052 41.001 42.059 -0.010 0.000 0.921 436 L HN 0.071 nan 8.230 nan 0.000 0.444 437 K N 0.941 121.335 120.400 -0.010 0.000 2.362 437 K HA -0.117 4.203 4.320 0.000 0.000 0.202 437 K C 1.524 178.119 176.600 -0.008 0.000 1.045 437 K CA 1.997 58.278 56.287 -0.009 0.000 0.936 437 K CB -0.828 31.666 32.500 -0.010 0.000 0.747 437 K HN 0.518 nan 8.250 nan 0.000 0.467 438 I N -1.858 118.707 120.570 -0.008 0.000 4.439 438 I HA 0.225 4.395 4.170 0.000 0.000 0.331 438 I C 2.414 178.527 176.117 -0.007 0.000 1.345 438 I CA 0.418 61.713 61.300 -0.008 0.000 1.193 438 I CB 0.744 38.739 38.000 -0.008 0.000 1.221 438 I HN 0.219 nan 8.210 nan 0.000 0.429 439 A N 1.631 124.447 122.820 -0.007 0.000 1.862 439 A HA 0.027 4.347 4.320 0.000 0.000 0.217 439 A C 1.435 179.017 177.584 -0.005 0.000 1.251 439 A CA 2.136 54.169 52.037 -0.006 0.000 0.673 439 A CB -1.171 17.825 19.000 -0.005 0.000 0.843 439 A HN 0.416 nan 8.150 nan 0.000 0.458 440 G N 0.000 108.798 108.800 -0.004 0.000 5.446 440 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 440 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 440 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 440 G HN 0.000 nan 8.290 nan 0.000 0.925