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_H 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 0.460 120.165 119.800 -0.157 0.000 2.285 9 Q HA 0.867 5.207 4.340 0.000 0.000 0.269 9 Q C 0.651 176.580 176.000 -0.118 0.000 1.030 9 Q CA 0.686 56.419 55.803 -0.116 0.000 0.788 9 Q CB 0.734 29.414 28.738 -0.095 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 -0.278 4.062 4.340 0.000 0.000 0.409 10 Q C 1.130 177.052 176.000 -0.129 0.000 1.118 10 Q CA 4.474 60.215 55.803 -0.103 0.000 0.966 10 Q CB -2.621 26.067 28.738 -0.082 0.000 1.795 10 Q HN 2.313 nan 8.270 nan 0.000 0.941 11 I N -6.416 114.082 120.570 -0.120 0.000 3.519 11 I HA 0.730 4.900 4.170 0.000 0.000 0.314 11 I C -0.602 175.445 176.117 -0.117 0.000 1.273 11 I CA -0.590 60.631 61.300 -0.131 0.000 1.108 11 I CB 1.738 39.668 38.000 -0.118 0.000 1.212 11 I HN 0.654 nan 8.210 nan 0.000 0.420 12 V N 1.735 121.610 119.914 -0.065 0.000 2.419 12 V HA 0.291 4.411 4.120 0.000 0.000 0.287 12 V C -1.867 174.262 176.094 0.057 0.000 1.017 12 V CA -1.095 61.185 62.300 -0.032 0.000 0.844 12 V CB 1.090 32.872 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 1.582 178.957 177.300 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 -0.350 119.617 119.950 0.029 0.000 2.102 14 F HA -0.164 4.363 4.527 0.000 0.000 0.298 14 F C 2.044 177.885 175.800 0.068 0.000 1.105 14 F CA 1.294 59.312 58.000 0.030 0.000 1.239 14 F CB -0.727 38.266 39.000 -0.010 0.000 0.991 14 F HN -0.235 nan 8.300 nan 0.000 0.474 15 I N 0.652 121.227 120.570 0.008 0.000 2.226 15 I HA -0.281 3.889 4.170 0.000 0.000 0.245 15 I C 2.583 178.688 176.117 -0.019 0.000 1.100 15 I CA 1.420 62.711 61.300 -0.015 0.000 1.374 15 I CB -1.307 36.849 38.000 0.259 0.000 1.057 15 I HN 0.211 nan 8.210 nan 0.000 0.413 16 R N 0.274 120.838 120.500 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 2.143 58.336 56.100 0.156 0.000 0.951 16 R CB -0.236 30.133 30.300 0.115 0.000 0.851 16 R HN 0.227 nan 8.270 nan 0.000 0.434 17 S N 0.071 115.728 115.700 -0.072 0.000 2.368 17 S HA -0.117 4.353 4.470 0.000 0.000 0.224 17 S C 1.847 176.334 174.600 -0.189 0.000 1.029 17 S CA 1.132 59.268 58.200 -0.107 0.000 0.988 17 S CB -0.249 62.897 63.200 -0.089 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 -0.390 0.000 2.027 18 L HA 0.134 4.474 4.340 0.000 0.000 0.206 18 L C 1.963 178.757 176.870 -0.126 0.000 1.074 18 L CA 1.804 56.433 54.840 -0.351 0.000 0.745 18 L CB -0.447 41.278 42.059 -0.557 0.000 0.898 18 L HN 0.375 nan 8.230 nan 0.000 0.433 19 L N -1.537 119.632 121.223 -0.089 0.000 2.375 19 L HA 0.084 4.424 4.340 0.000 0.000 0.215 19 L C 0.671 177.625 176.870 0.140 0.000 1.108 19 L CA 0.307 55.163 54.840 0.026 0.000 0.830 19 L CB 0.004 41.995 42.059 -0.113 0.000 0.959 19 L HN 0.236 nan 8.230 nan 0.000 0.457 20 M N -0.529 119.129 119.600 0.097 0.000 2.389 20 M HA 0.239 4.719 4.480 0.000 0.000 0.206 20 M C -1.981 174.359 176.300 0.067 0.000 0.976 20 M CA -1.277 54.105 55.300 0.137 0.000 0.648 20 M CB 1.598 34.273 32.600 0.125 0.000 1.474 20 M HN -0.264 nan 8.290 nan 0.000 0.398 21 P HA -0.157 nan 4.420 nan 0.000 0.219 21 P C 1.360 178.660 177.300 0.001 0.000 1.146 21 P CA 1.471 64.564 63.100 -0.013 0.000 0.808 21 P CB -0.178 31.494 31.700 -0.048 0.000 0.779 22 T N -5.721 108.847 114.554 0.022 0.000 3.051 22 T HA -0.079 4.271 4.350 0.000 0.000 0.269 22 T C 1.700 176.414 174.700 0.024 0.000 1.127 22 T CA 1.385 63.498 62.100 0.022 0.000 1.107 22 T CB -1.430 67.459 68.868 0.034 0.000 0.898 22 T HN 0.016 nan 8.240 nan 0.000 0.517 23 T N 0.851 115.421 114.554 0.027 0.000 3.023 23 T HA 0.452 4.802 4.350 0.000 0.000 0.266 23 T C 0.930 175.644 174.700 0.023 0.000 1.093 23 T CA 1.050 63.164 62.100 0.024 0.000 1.129 23 T CB -0.665 68.221 68.868 0.030 0.000 0.899 23 T HN 0.991 nan 8.240 nan 0.000 0.491 24 G N 1.334 110.147 108.800 0.022 0.000 2.408 24 G HA2 0.073 4.033 3.960 0.000 0.000 0.682 24 G HA3 0.073 4.033 3.960 0.000 0.000 0.682 24 G C -3.332 171.586 174.900 0.031 0.000 1.303 24 G CA -0.958 44.160 45.100 0.030 0.000 0.966 24 G HN 0.075 nan 8.290 nan 0.000 0.560 25 P HA 0.721 nan 4.420 nan 0.000 0.283 25 P C -0.457 176.904 177.300 0.102 0.000 1.271 25 P CA 0.188 63.329 63.100 0.068 0.000 0.841 25 P CB 1.982 33.735 31.700 0.089 0.000 1.122 26 A N 0.492 123.402 122.820 0.152 0.000 2.572 26 A HA 0.601 4.921 4.320 0.000 0.000 0.295 26 A C -0.533 177.206 177.584 0.258 0.000 1.072 26 A CA -0.540 51.619 52.037 0.203 0.000 0.691 26 A CB 0.722 19.858 19.000 0.226 0.000 1.291 26 A HN 0.381 nan 8.150 nan 0.000 0.404 27 S N 0.795 116.632 115.700 0.228 0.000 2.549 27 S HA 0.364 4.834 4.470 0.000 0.000 0.279 27 S C 0.295 174.877 174.600 -0.030 0.000 1.321 27 S CA -0.163 58.142 58.200 0.175 0.000 1.054 27 S CB 0.074 63.443 63.200 0.281 0.000 0.899 27 S HN 0.463 nan 8.310 nan 0.000 0.497 28 I N 4.932 125.370 120.570 -0.220 0.000 2.598 28 I HA 0.106 4.276 4.170 0.000 0.000 0.284 28 I C -1.560 174.221 176.117 -0.560 0.000 1.140 28 I CA -1.412 59.461 61.300 -0.713 0.000 1.420 28 I CB 0.391 38.076 38.000 -0.525 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 -1.050 176.087 177.300 -0.272 0.000 1.807 29 P CA -0.265 62.623 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 -1.016 119.237 120.400 -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 -0.369 53.556 54.000 -0.125 0.000 1.095 30 D CB -0.008 40.730 40.800 -0.103 0.000 1.173 30 D HN -0.175 nan 8.370 nan 0.000 0.604 31 D N -1.341 119.060 120.400 0.001 0.000 2.349 31 D HA 0.040 4.680 4.640 0.000 0.000 0.214 31 D C -0.009 176.318 176.300 0.046 0.000 1.063 31 D CA 0.320 54.333 54.000 0.021 0.000 0.847 31 D CB 0.081 40.892 40.800 0.019 0.000 0.933 31 D HN 0.273 nan 8.370 nan 0.000 0.513 32 T N 2.123 116.714 114.554 0.062 0.000 4.104 32 T HA 0.179 4.529 4.350 0.000 0.000 0.285 32 T C 0.894 175.696 174.700 0.171 0.000 1.346 32 T CA -0.093 62.078 62.100 0.118 0.000 1.158 32 T CB -0.332 68.616 68.868 0.133 0.000 1.290 32 T HN 0.033 nan 8.240 nan 0.000 0.975 33 L N 3.411 124.725 121.223 0.152 0.000 2.404 33 L HA 0.256 4.596 4.340 0.000 0.000 0.277 33 L C 0.770 177.849 176.870 0.347 0.000 1.184 33 L CA 0.046 55.027 54.840 0.235 0.000 1.013 33 L CB -0.079 42.032 42.059 0.087 0.000 1.318 33 L HN 0.379 nan 8.230 nan 0.000 0.435 34 E N 2.946 123.339 120.200 0.321 0.000 2.207 34 E HA 0.316 4.666 4.350 0.000 0.000 0.270 34 E C -0.607 176.014 176.600 0.035 0.000 0.927 34 E CA -0.956 55.503 56.400 0.098 0.000 0.799 34 E CB 2.437 31.973 29.700 -0.273 0.000 1.172 34 E HN 0.319 nan 8.360 nan 0.000 0.404 35 K N 3.464 123.635 120.400 -0.382 0.000 2.412 35 K HA 0.049 4.369 4.320 0.000 0.000 0.284 35 K C 0.227 176.743 176.600 -0.139 0.000 1.046 35 K CA 0.316 56.319 56.287 -0.473 0.000 0.999 35 K CB 0.140 32.311 32.500 -0.547 0.000 0.941 35 K HN 0.524 nan 8.250 nan 0.000 0.474 36 H N -0.228 118.779 119.070 -0.105 0.000 2.959 36 H HA 0.483 5.039 4.556 0.000 0.000 0.296 36 H C -1.076 174.284 175.328 0.053 0.000 1.421 36 H CA -0.801 55.259 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 0.592 115.260 114.554 0.191 0.000 2.906 37 T HA 0.543 4.893 4.350 0.000 0.000 0.295 37 T C -0.889 173.951 174.700 0.233 0.000 1.061 37 T CA -0.739 61.435 62.100 0.122 0.000 1.000 37 T CB 1.112 70.058 68.868 0.129 0.000 1.103 37 T HN 0.412 nan 8.240 nan 0.000 0.486 38 L N 3.476 124.805 121.223 0.176 0.000 2.307 38 L HA 0.742 5.082 4.340 0.000 0.000 0.284 38 L C 0.020 176.971 176.870 0.135 0.000 1.023 38 L CA -0.748 54.205 54.840 0.188 0.000 0.810 38 L CB 1.600 43.766 42.059 0.178 0.000 1.231 38 L HN 0.506 nan 8.230 nan 0.000 0.423 39 R N 0.898 121.483 120.500 0.142 0.000 2.771 39 R HA 0.601 4.941 4.340 0.000 0.000 0.274 39 R C -1.293 175.120 176.300 0.189 0.000 0.987 39 R CA -0.469 55.715 56.100 0.139 0.000 0.908 39 R CB 2.498 32.848 30.300 0.083 0.000 1.213 39 R HN 0.520 nan 8.270 nan 0.000 0.468 40 S N 1.187 116.982 115.700 0.158 0.000 2.501 40 S HA 0.501 4.971 4.470 0.000 0.000 0.301 40 S C -1.109 173.605 174.600 0.189 0.000 1.096 40 S CA -0.847 57.444 58.200 0.151 0.000 1.063 40 S CB 1.473 64.726 63.200 0.089 0.000 1.042 40 S HN 0.316 nan 8.310 nan 0.000 0.494 41 E N 2.327 122.670 120.200 0.238 0.000 2.224 41 E HA 0.339 4.689 4.350 0.000 0.000 0.265 41 E C -0.410 176.288 176.600 0.163 0.000 0.878 41 E CA -0.495 56.036 56.400 0.219 0.000 0.759 41 E CB 2.031 31.915 29.700 0.307 0.000 1.164 41 E HN 0.724 nan 8.360 nan 0.000 0.414 42 T N -0.574 114.045 114.554 0.110 0.000 2.882 42 T HA 0.508 4.858 4.350 0.000 0.000 0.287 42 T C 0.311 175.065 174.700 0.089 0.000 1.014 42 T CA -0.615 61.531 62.100 0.077 0.000 1.049 42 T CB 0.972 69.865 68.868 0.040 0.000 1.001 42 T HN 0.116 nan 8.240 nan 0.000 0.525 43 S N 1.333 117.085 115.700 0.087 0.000 2.561 43 S HA 0.669 5.139 4.470 0.000 0.000 0.303 43 S C -0.315 174.308 174.600 0.039 0.000 1.110 43 S CA -0.920 57.351 58.200 0.118 0.000 1.034 43 S CB 1.399 64.749 63.200 0.251 0.000 1.010 43 S HN 1.068 nan 8.310 nan 0.000 0.482 44 T N 1.169 115.622 114.554 -0.169 0.000 2.881 44 T HA 0.718 5.068 4.350 0.000 0.000 0.291 44 T C -1.315 173.079 174.700 -0.511 0.000 0.990 44 T CA -0.523 61.460 62.100 -0.196 0.000 0.976 44 T CB 0.433 69.212 68.868 -0.149 0.000 0.970 44 T HN 0.420 nan 8.240 nan 0.000 0.438 45 Y N 1.445 121.750 120.300 0.008 0.000 2.492 45 Y HA 0.552 5.102 4.550 0.000 0.000 0.346 45 Y C -0.180 175.695 175.900 -0.041 0.000 0.997 45 Y CA -1.232 56.858 58.100 -0.016 0.000 1.025 45 Y CB 2.335 40.781 38.460 -0.024 0.000 1.263 45 Y HN 0.571 nan 8.280 nan 0.000 0.454 46 N N 3.939 122.694 118.700 0.091 0.000 2.621 46 N HA 0.383 5.123 4.740 0.000 0.000 0.237 46 N C -1.307 174.208 175.510 0.009 0.000 0.997 46 N CA -0.298 52.767 53.050 0.024 0.000 0.918 46 N CB 0.938 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 0.429 4.769 4.340 0.000 0.000 0.275 47 L C 0.718 177.547 176.870 -0.068 0.000 1.099 47 L CA -0.404 54.365 54.840 -0.120 0.000 0.808 47 L CB 0.806 42.605 42.059 -0.433 0.000 1.149 47 L HN 0.172 nan 8.230 nan 0.000 0.442 48 T N 1.828 116.394 114.554 0.020 0.000 2.799 48 T HA 0.338 4.688 4.350 0.000 0.000 0.286 48 T C 0.087 174.854 174.700 0.111 0.000 0.973 48 T CA -0.485 61.641 62.100 0.042 0.000 1.035 48 T CB 1.667 70.561 68.868 0.044 0.000 0.932 48 T HN 0.205 nan 8.240 nan 0.000 0.469 49 V N 3.478 123.441 119.914 0.081 0.000 2.555 49 V HA 0.458 4.578 4.120 0.000 0.000 0.286 49 V C 1.218 177.392 176.094 0.132 0.000 1.044 49 V CA -0.263 62.130 62.300 0.156 0.000 1.026 49 V CB 1.011 32.898 31.823 0.108 0.000 0.981 49 V HN 1.046 nan 8.190 nan 0.000 0.480 50 G N 2.367 111.260 108.800 0.155 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 0.060 0.000 1.350 50 G CA -0.234 44.917 45.100 0.086 0.000 1.039 50 G HN 0.673 nan 8.290 nan 0.000 0.509 51 D N -0.509 119.909 120.400 0.030 0.000 2.158 51 D HA -0.151 4.489 4.640 0.000 0.000 0.197 51 D C 2.799 179.103 176.300 0.007 0.000 0.995 51 D CA 2.106 56.114 54.000 0.014 0.000 0.846 51 D CB -0.264 40.537 40.800 0.001 0.000 0.941 51 D HN 0.449 nan 8.370 nan 0.000 0.456 52 T N -3.585 110.968 114.554 -0.001 0.000 3.088 52 T HA 0.222 4.572 4.350 0.000 0.000 0.259 52 T C 1.665 176.363 174.700 -0.003 0.000 1.122 52 T CA 0.852 62.940 62.100 -0.021 0.000 1.095 52 T CB 0.149 68.982 68.868 -0.058 0.000 0.930 52 T HN 0.219 nan 8.240 nan 0.000 0.508 53 G N 0.216 109.043 108.800 0.046 0.000 2.160 53 G HA2 -0.187 3.773 3.960 0.000 0.000 0.251 53 G HA3 -0.187 3.773 3.960 0.000 0.000 0.251 53 G C 0.041 175.026 174.900 0.140 0.000 1.008 53 G CA 0.285 45.443 45.100 0.095 0.000 0.724 53 G HN 1.002 nan 8.290 nan 0.000 0.514 54 S N -1.332 114.405 115.700 0.061 0.000 2.546 54 S HA 0.929 5.399 4.470 0.000 0.000 0.274 54 S C 0.098 174.483 174.600 -0.358 0.000 1.121 54 S CA 0.717 58.823 58.200 -0.157 0.000 0.887 54 S CB 1.842 64.947 63.200 -0.160 0.000 1.094 54 S HN 1.935 nan 8.310 nan 0.000 0.474 55 G N 1.110 109.373 108.800 -0.895 0.000 2.488 55 G HA2 0.563 4.523 3.960 0.000 0.000 0.301 55 G HA3 0.563 4.523 3.960 0.000 0.000 0.301 55 G C -2.477 172.165 174.900 -0.430 0.000 1.339 55 G CA -0.524 44.215 45.100 -0.602 0.000 0.803 55 G HN 1.004 nan 8.290 nan 0.000 0.482 56 L N -0.121 121.134 121.223 0.053 0.000 2.464 56 L HA 0.778 5.118 4.340 0.000 0.000 0.266 56 L C -1.215 175.766 176.870 0.185 0.000 0.965 56 L CA -0.648 54.254 54.840 0.105 0.000 0.833 56 L CB 1.787 43.842 42.059 -0.007 0.000 1.296 56 L HN 0.518 nan 8.230 nan 0.000 0.405 57 I N 5.369 125.983 120.570 0.072 0.000 2.339 57 I HA 0.442 4.612 4.170 0.000 0.000 0.290 57 I C -0.648 175.229 176.117 -0.400 0.000 0.994 57 I CA -0.907 60.286 61.300 -0.178 0.000 1.191 57 I CB 1.844 39.628 38.000 -0.360 0.000 1.343 57 I HN 0.255 nan 8.210 nan 0.000 0.458 58 V N 7.311 126.946 119.914 -0.465 0.000 2.350 58 V HA 0.358 4.479 4.120 0.000 0.000 0.276 58 V C -0.265 175.348 176.094 -0.803 0.000 1.028 58 V CA -0.322 61.643 62.300 -0.558 0.000 0.860 58 V CB 0.795 32.311 31.823 -0.512 0.000 0.990 58 V HN 0.403 nan 8.190 nan 0.000 0.453 59 F N 4.108 123.783 119.950 -0.457 0.000 2.458 59 F HA 0.581 5.108 4.527 0.000 0.000 0.330 59 F C -0.006 175.470 175.800 -0.541 0.000 1.082 59 F CA -0.624 57.126 58.000 -0.417 0.000 0.995 59 F CB 1.733 40.641 39.000 -0.153 0.000 1.170 59 F HN 0.367 nan 8.300 nan 0.000 0.478 60 F N 3.622 123.744 119.950 0.288 0.000 2.334 60 F HA 0.280 4.807 4.527 -0.000 0.000 0.343 60 F C -1.636 174.309 175.800 0.241 0.000 1.136 60 F CA -1.820 56.321 58.000 0.235 0.000 1.237 60 F CB 0.243 39.375 39.000 0.220 0.000 1.525 60 F HN 0.269 nan 8.300 nan 0.000 0.528 61 P HA -0.133 nan 4.420 nan 0.000 0.219 61 P C 1.388 178.792 177.300 0.175 0.000 1.146 61 P CA 1.247 64.440 63.100 0.154 0.000 0.808 61 P CB 0.317 32.062 31.700 0.074 0.000 0.779 62 G N -1.689 107.247 108.800 0.227 0.000 3.337 62 G HA2 0.047 4.007 3.960 0.000 0.000 0.246 62 G HA3 0.047 4.007 3.960 0.000 0.000 0.246 62 G C -0.161 174.894 174.900 0.257 0.000 1.131 62 G CA -0.390 44.822 45.100 0.186 0.000 0.773 62 G HN 0.151 nan 8.290 nan 0.000 0.544 63 F N 3.164 123.248 119.950 0.223 0.000 2.571 63 F HA 0.285 4.812 4.527 0.000 0.000 0.384 63 F C -1.598 174.352 175.800 0.249 0.000 1.058 63 F CA -2.444 55.689 58.000 0.222 0.000 1.200 63 F CB 1.110 40.245 39.000 0.225 0.000 1.077 63 F HN -0.053 nan 8.300 nan 0.000 0.558 64 P HA 0.320 nan 4.420 nan 0.000 0.238 64 P C -0.055 177.175 177.300 -0.116 0.000 1.794 64 P CA 0.354 63.399 63.100 -0.091 0.000 1.088 64 P CB 0.238 31.805 31.700 -0.221 0.000 1.923 65 G N 0.429 109.421 108.800 0.320 0.000 2.368 65 G HA2 0.001 3.961 3.960 0.000 0.000 0.269 65 G HA3 0.001 3.961 3.960 0.000 0.000 0.269 65 G C 0.219 175.377 174.900 0.430 0.000 1.291 65 G CA -0.350 44.903 45.100 0.255 0.000 0.903 65 G HN -0.040 nan 8.290 nan 0.000 0.483 66 S N -0.422 115.459 115.700 0.303 0.000 2.593 66 S HA 0.294 4.764 4.470 0.000 0.000 0.217 66 S C 0.930 175.621 174.600 0.151 0.000 0.966 66 S CA 0.065 58.383 58.200 0.197 0.000 0.914 66 S CB -0.257 63.008 63.200 0.108 0.000 0.776 66 S HN 0.348 nan 8.310 nan 0.000 0.523 67 I N 1.319 121.872 120.570 -0.028 0.000 2.337 67 I HA 0.146 4.316 4.170 0.000 0.000 0.291 67 I C 0.835 176.930 176.117 -0.037 0.000 1.046 67 I CA -0.127 61.005 61.300 -0.280 0.000 1.324 67 I CB 1.446 38.907 38.000 -0.899 0.000 1.409 67 I HN -0.059 nan 8.210 nan 0.000 0.494 68 V N 5.321 125.336 119.914 0.169 0.000 2.922 68 V HA 0.437 4.557 4.120 0.000 0.000 0.242 68 V C 0.943 177.274 176.094 0.396 0.000 1.094 68 V CA 1.058 63.547 62.300 0.315 0.000 1.106 68 V CB 0.412 32.421 31.823 0.310 0.000 0.799 68 V HN 0.962 nan 8.190 nan 0.000 0.474 69 G N -1.119 107.829 108.800 0.247 0.000 2.348 69 G HA2 0.660 4.620 3.960 0.000 0.000 0.296 69 G HA3 0.660 4.620 3.960 0.000 0.000 0.296 69 G C -1.840 173.030 174.900 -0.049 0.000 1.258 69 G CA 0.155 45.244 45.100 -0.019 0.000 0.868 69 G HN 0.658 nan 8.290 nan 0.000 0.488 70 A N -0.616 122.073 122.820 -0.218 0.000 2.549 70 A HA 0.791 5.111 4.320 0.000 0.000 0.297 70 A C -1.284 176.129 177.584 -0.285 0.000 1.061 70 A CA -0.441 51.498 52.037 -0.162 0.000 0.690 70 A CB 1.546 20.561 19.000 0.024 0.000 1.287 70 A HN 1.205 nan 8.150 nan 0.000 0.402 71 H N 1.224 119.996 119.070 -0.497 0.000 2.466 71 H HA 0.646 5.202 4.556 0.000 0.000 0.338 71 H C -1.803 173.227 175.328 -0.498 0.000 1.091 71 H CA -0.288 55.527 56.048 -0.388 0.000 1.207 71 H CB 0.908 30.491 29.762 -0.298 0.000 1.466 71 H HN 0.613 nan 8.280 nan 0.000 0.493 72 Y N 2.122 122.205 120.300 -0.361 0.000 2.425 72 Y HA 0.171 4.721 4.550 0.000 0.000 0.344 72 Y C 0.456 176.186 175.900 -0.284 0.000 0.969 72 Y CA -0.824 57.144 58.100 -0.219 0.000 1.052 72 Y CB 2.137 40.661 38.460 0.107 0.000 1.215 72 Y HN 0.582 nan 8.280 nan 0.000 0.451 73 T N 0.558 115.064 114.554 -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 0.069 0.000 1.005 73 T CA -0.753 61.343 62.100 -0.007 0.000 1.061 73 T CB 1.395 70.253 68.868 -0.017 0.000 1.007 73 T HN 0.459 nan 8.240 nan 0.000 0.502 74 L N 1.856 123.044 121.223 -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 -0.166 0.000 1.075 74 L CA -0.034 54.648 54.840 -0.263 0.000 0.804 74 L CB 1.154 42.997 42.059 -0.360 0.000 1.174 74 L HN 0.762 nan 8.230 nan 0.000 0.438 75 Q N 2.344 122.033 119.800 -0.186 0.000 2.297 75 Q HA 0.358 4.698 4.340 0.000 0.000 0.269 75 Q C 0.917 176.850 176.000 -0.111 0.000 1.051 75 Q CA -0.180 55.558 55.803 -0.109 0.000 0.869 75 Q CB 1.457 30.149 28.738 -0.076 0.000 1.346 75 Q HN 0.898 nan 8.270 nan 0.000 0.457 76 G N 1.646 110.401 108.800 -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 0.883 175.737 174.900 -0.076 0.000 1.156 76 G CA 1.433 46.493 45.100 -0.066 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 0.133 4.873 4.740 0.000 0.000 0.191 77 N C 1.553 177.002 175.510 -0.103 0.000 1.182 77 N CA 1.020 54.023 53.050 -0.077 0.000 0.879 77 N CB 0.062 38.511 38.487 -0.064 0.000 0.984 77 N HN 0.588 nan 8.380 nan 0.000 0.453 78 G N 0.414 109.130 108.800 -0.140 0.000 2.176 78 G HA2 -0.255 3.705 3.960 0.000 0.000 0.253 78 G HA3 -0.255 3.705 3.960 0.000 0.000 0.253 78 G C -0.213 174.535 174.900 -0.253 0.000 0.979 78 G CA -0.197 44.790 45.100 -0.188 0.000 0.641 78 G HN 0.430 nan 8.290 nan 0.000 0.530 79 N N -0.134 118.439 118.700 -0.210 0.000 2.515 79 N HA 0.554 5.294 4.740 0.000 0.000 0.279 79 N C -0.080 175.275 175.510 -0.258 0.000 1.164 79 N CA -0.261 52.671 53.050 -0.198 0.000 0.982 79 N CB 0.447 38.873 38.487 -0.101 0.000 1.170 79 N HN 0.231 nan 8.380 nan 0.000 0.474 80 Y N 0.289 120.522 120.300 -0.111 0.000 2.301 80 Y HA 0.236 4.786 4.550 0.000 0.000 0.328 80 Y C 1.014 176.947 175.900 0.056 0.000 1.242 80 Y CA 0.106 58.190 58.100 -0.027 0.000 1.323 80 Y CB 1.011 39.431 38.460 -0.067 0.000 1.266 80 Y HN 0.195 nan 8.280 nan 0.000 0.527 81 K N 3.280 123.868 120.400 0.314 0.000 2.471 81 K HA 0.254 4.574 4.320 0.000 0.000 0.252 81 K C -1.435 175.371 176.600 0.343 0.000 0.938 81 K CA -0.803 55.645 56.287 0.269 0.000 0.796 81 K CB 0.896 33.468 32.500 0.121 0.000 1.161 81 K HN 0.559 nan 8.250 nan 0.000 0.425 82 F N 3.836 123.930 119.950 0.241 0.000 2.607 82 F HA -0.032 4.495 4.527 0.000 0.000 0.374 82 F C 0.884 176.618 175.800 -0.111 0.000 1.104 82 F CA 0.692 58.684 58.000 -0.013 0.000 1.296 82 F CB 0.796 39.814 39.000 0.031 0.000 1.085 82 F HN 0.819 nan 8.300 nan 0.000 0.584 83 D N 2.328 122.131 120.400 -0.994 0.000 2.805 83 D HA 0.107 4.747 4.640 0.000 0.000 0.271 83 D C -0.614 175.003 176.300 -1.137 0.000 1.166 83 D CA 0.922 54.460 54.000 -0.770 0.000 1.004 83 D CB 0.222 40.760 40.800 -0.437 0.000 1.136 83 D HN 0.677 nan 8.370 nan 0.000 0.444 84 Q N -0.874 118.160 119.800 -1.277 0.000 2.578 84 Q HA 0.321 4.661 4.340 0.000 0.000 0.284 84 Q C -1.087 174.649 176.000 -0.439 0.000 0.960 84 Q CA -1.035 54.280 55.803 -0.813 0.000 0.809 84 Q CB 1.106 29.643 28.738 -0.334 0.000 1.462 84 Q HN -0.048 nan 8.270 nan 0.000 0.392 85 M N 1.808 121.397 119.600 -0.017 0.000 2.243 85 M HA 0.350 4.830 4.480 0.000 0.000 0.341 85 M C -0.519 175.652 176.300 -0.216 0.000 1.130 85 M CA 0.004 55.317 55.300 0.021 0.000 1.162 85 M CB -0.013 32.654 32.600 0.110 0.000 1.497 85 M HN 0.615 nan 8.290 nan 0.000 0.456 86 L N 4.716 125.790 121.223 -0.249 0.000 2.272 86 L HA 0.549 4.889 4.340 0.000 0.000 0.289 86 L C -0.439 176.425 176.870 -0.011 0.000 1.032 86 L CA -0.370 54.192 54.840 -0.463 0.000 0.810 86 L CB 0.649 42.477 42.059 -0.384 0.000 1.205 86 L HN 0.563 nan 8.230 nan 0.000 0.422 87 L N 1.291 122.654 121.223 0.234 0.000 2.279 87 L HA 0.570 4.910 4.340 0.000 0.000 0.262 87 L C 0.527 177.602 176.870 0.342 0.000 1.019 87 L CA -0.799 54.207 54.840 0.277 0.000 0.823 87 L CB 1.915 44.110 42.059 0.227 0.000 1.358 87 L HN 0.383 nan 8.230 nan 0.000 0.432 88 T N 0.261 114.962 114.554 0.246 0.000 2.903 88 T HA 0.091 4.441 4.350 0.000 0.000 0.314 88 T C 1.139 175.931 174.700 0.153 0.000 1.078 88 T CA 0.514 62.742 62.100 0.214 0.000 1.114 88 T CB 1.399 70.391 68.868 0.205 0.000 0.987 88 T HN 0.728 nan 8.240 nan 0.000 0.548 89 A N 2.632 125.519 122.820 0.111 0.000 1.908 89 A HA -0.068 4.252 4.320 0.000 0.000 0.218 89 A C 1.028 178.649 177.584 0.062 0.000 1.181 89 A CA 1.453 53.523 52.037 0.055 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 -1.527 118.321 119.800 0.080 0.000 2.433 90 Q HA 0.491 4.831 4.340 0.000 0.000 0.279 90 Q C -1.221 174.825 176.000 0.076 0.000 1.105 90 Q CA -0.980 54.866 55.803 0.072 0.000 0.815 90 Q CB 0.783 29.562 28.738 0.069 0.000 1.403 90 Q HN 0.137 nan 8.270 nan 0.000 0.435 91 N N 1.598 120.336 118.700 0.065 0.000 2.415 91 N HA 0.133 4.873 4.740 0.000 0.000 0.250 91 N C 0.480 176.027 175.510 0.061 0.000 1.127 91 N CA -0.014 53.071 53.050 0.060 0.000 0.945 91 N CB 0.321 38.837 38.487 0.049 0.000 1.196 91 N HN 0.767 nan 8.380 nan 0.000 0.499 92 L N 4.475 125.730 121.223 0.053 0.000 2.043 92 L HA -0.123 4.217 4.340 0.000 0.000 0.212 92 L C -0.666 176.271 176.870 0.112 0.000 1.075 92 L CA 1.266 56.158 54.840 0.087 0.000 0.752 92 L CB -1.063 40.940 42.059 -0.093 0.000 0.891 92 L HN 0.520 nan 8.230 nan 0.000 0.432 93 P HA -0.130 nan 4.420 nan 0.000 0.228 93 P C 1.094 178.395 177.300 0.002 0.000 1.151 93 P CA 1.267 64.381 63.100 0.023 0.000 0.770 93 P CB -0.020 31.686 31.700 0.010 0.000 0.786 94 A N -1.284 121.539 122.820 0.005 0.000 2.119 94 A HA 0.003 4.323 4.320 0.000 0.000 0.216 94 A C 2.011 179.549 177.584 -0.077 0.000 1.152 94 A CA 1.544 53.567 52.037 -0.024 0.000 0.708 94 A CB -0.557 18.437 19.000 -0.011 0.000 0.805 94 A HN 0.141 nan 8.150 nan 0.000 0.460 95 S N -2.790 112.839 115.700 -0.118 0.000 2.631 95 S HA 0.338 4.808 4.470 0.000 0.000 0.246 95 S C -0.415 173.829 174.600 -0.593 0.000 1.068 95 S CA -0.243 57.736 58.200 -0.368 0.000 0.995 95 S CB 0.149 63.059 63.200 -0.484 0.000 0.944 95 S HN 0.497 nan 8.310 nan 0.000 0.529 96 Y N 1.041 121.327 120.300 -0.022 0.000 2.536 96 Y HA 0.522 5.072 4.550 0.000 0.000 0.347 96 Y C 0.715 176.587 175.900 -0.047 0.000 1.000 96 Y CA -1.074 57.020 58.100 -0.010 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 -0.031 118.738 118.700 0.115 0.000 2.407 97 N HA 0.085 4.825 4.740 0.000 0.000 0.182 97 N C -1.156 174.152 175.510 -0.336 0.000 1.079 97 N CA 0.521 53.495 53.050 -0.127 0.000 0.882 97 N CB 0.450 38.855 38.487 -0.137 0.000 1.106 97 N HN 0.531 nan 8.380 nan 0.000 0.461 98 Y N -1.023 119.354 120.300 0.128 0.000 2.545 98 Y HA 0.548 5.098 4.550 0.000 0.000 0.348 98 Y C -0.158 175.870 175.900 0.214 0.000 1.002 98 Y CA -1.157 57.038 58.100 0.159 0.000 1.039 98 Y CB 2.210 40.774 38.460 0.174 0.000 1.271 98 Y HN -0.109 nan 8.280 nan 0.000 0.467 99 C N 2.420 121.932 119.300 0.353 0.000 3.284 99 C HA 0.847 5.307 4.460 0.000 0.000 0.338 99 C C -1.797 173.171 174.990 -0.036 0.000 1.237 99 C CA -0.718 58.383 59.018 0.137 0.000 1.276 99 C CB 1.814 29.546 27.740 -0.014 0.000 1.601 99 C HN 1.031 nan 8.230 nan 0.000 0.494 100 R N 2.668 123.128 120.500 -0.067 0.000 2.548 100 R HA 0.662 5.002 4.340 0.000 0.000 0.280 100 R C -1.739 174.614 176.300 0.088 0.000 1.061 100 R CA -0.649 55.374 56.100 -0.129 0.000 0.915 100 R CB 1.687 31.656 30.300 -0.552 0.000 1.210 100 R HN 0.818 nan 8.270 nan 0.000 0.442 101 L N 4.684 125.980 121.223 0.121 0.000 2.319 101 L HA 0.227 4.567 4.340 0.000 0.000 0.280 101 L C 0.145 177.036 176.870 0.034 0.000 1.099 101 L CA 0.390 55.257 54.840 0.046 0.000 0.828 101 L CB 1.607 43.705 42.059 0.066 0.000 1.150 101 L HN 0.634 nan 8.230 nan 0.000 0.442 102 V N 2.545 122.437 119.914 -0.036 0.000 2.492 102 V HA 0.257 4.377 4.120 0.000 0.000 0.241 102 V C 0.562 176.716 176.094 0.100 0.000 1.041 102 V CA 1.131 63.495 62.300 0.108 0.000 1.057 102 V CB 0.045 31.925 31.823 0.096 0.000 0.711 102 V HN 0.941 nan 8.190 nan 0.000 0.468 103 S N -0.292 115.372 115.700 -0.059 0.000 2.597 103 S HA 0.719 5.189 4.470 0.000 0.000 0.274 103 S C -0.943 173.577 174.600 -0.134 0.000 1.132 103 S CA -0.914 57.242 58.200 -0.074 0.000 0.835 103 S CB 2.631 65.772 63.200 -0.099 0.000 1.092 103 S HN 0.485 nan 8.310 nan 0.000 0.457 104 R N 0.446 120.885 120.500 -0.102 0.000 2.579 104 R HA 0.668 5.008 4.340 0.000 0.000 0.260 104 R C -1.687 174.543 176.300 -0.117 0.000 1.103 104 R CA -0.004 56.027 56.100 -0.114 0.000 0.942 104 R CB 1.702 31.941 30.300 -0.101 0.000 1.251 104 R HN 1.300 nan 8.270 nan 0.000 0.450 105 S N 3.992 119.611 115.700 -0.134 0.000 2.549 105 S HA 0.770 5.240 4.470 0.000 0.000 0.280 105 S C -1.185 173.288 174.600 -0.211 0.000 1.109 105 S CA -0.810 57.273 58.200 -0.195 0.000 0.905 105 S CB 1.751 64.822 63.200 -0.217 0.000 1.081 105 S HN 0.433 nan 8.310 nan 0.000 0.477 106 L N 1.886 122.934 121.223 -0.291 0.000 2.422 106 L HA 0.729 5.069 4.340 0.000 0.000 0.264 106 L C -0.262 176.474 176.870 -0.222 0.000 0.984 106 L CA -0.579 54.089 54.840 -0.287 0.000 0.819 106 L CB 2.839 44.551 42.059 -0.580 0.000 1.330 106 L HN 1.000 nan 8.230 nan 0.000 0.410 107 T N -0.583 113.904 114.554 -0.111 0.000 2.829 107 T HA 0.803 5.153 4.350 0.000 0.000 0.280 107 T C -0.666 174.045 174.700 0.019 0.000 0.999 107 T CA -0.784 61.283 62.100 -0.055 0.000 0.983 107 T CB 1.752 70.598 68.868 -0.037 0.000 0.968 107 T HN 0.207 nan 8.240 nan 0.000 0.446 108 V N 4.183 124.126 119.914 0.049 0.000 2.443 108 V HA 0.769 4.889 4.120 0.000 0.000 0.293 108 V C -0.068 176.053 176.094 0.045 0.000 1.021 108 V CA -0.925 61.423 62.300 0.079 0.000 0.848 108 V CB 0.901 32.818 31.823 0.156 0.000 0.998 108 V HN 1.167 nan 8.190 nan 0.000 0.424 109 R N 2.271 122.779 120.500 0.013 0.000 2.692 109 R HA 0.709 5.049 4.340 0.000 0.000 0.269 109 R C -0.672 175.608 176.300 -0.034 0.000 1.030 109 R CA -0.589 55.511 56.100 0.001 0.000 0.882 109 R CB 1.826 32.135 30.300 0.016 0.000 1.250 109 R HN 0.610 nan 8.270 nan 0.000 0.465 110 S N 0.169 115.845 115.700 -0.040 0.000 2.601 110 S HA 0.288 4.758 4.470 0.000 0.000 0.271 110 S C 0.530 175.113 174.600 -0.028 0.000 1.305 110 S CA 0.021 58.188 58.200 -0.055 0.000 1.022 110 S CB 1.472 64.638 63.200 -0.056 0.000 0.940 110 S HN 0.863 nan 8.310 nan 0.000 0.525 111 S N 0.027 115.709 115.700 -0.030 0.000 2.679 111 S HA 0.310 4.780 4.470 0.000 0.000 0.258 111 S C 0.111 174.703 174.600 -0.014 0.000 1.068 111 S CA -0.243 57.947 58.200 -0.017 0.000 1.115 111 S CB 0.037 63.227 63.200 -0.017 0.000 1.078 111 S HN 0.786 nan 8.310 nan 0.000 0.603 112 T N 2.986 117.529 114.554 -0.018 0.000 2.900 112 T HA 0.707 5.057 4.350 0.000 0.000 0.303 112 T C -1.443 173.250 174.700 -0.012 0.000 1.142 112 T CA -0.845 61.248 62.100 -0.013 0.000 1.007 112 T CB 1.878 70.739 68.868 -0.012 0.000 1.156 112 T HN 0.380 nan 8.240 nan 0.000 0.490 113 L N -0.228 120.992 121.223 -0.006 0.000 2.365 113 L HA 0.865 5.205 4.340 0.000 0.000 0.273 113 L C -2.416 174.453 176.870 -0.001 0.000 1.000 113 L CA -1.936 52.902 54.840 -0.003 0.000 0.819 113 L CB -0.876 41.183 42.059 -0.000 0.000 1.284 113 L HN 0.326 nan 8.230 nan 0.000 0.418 121 N N 0.998 119.710 118.700 0.020 0.000 2.664 121 N HA 0.546 5.286 4.740 0.000 0.000 0.287 121 N C -0.056 175.472 175.510 0.029 0.000 1.869 121 N CA 0.791 53.852 53.050 0.018 0.000 0.832 121 N CB 1.030 39.523 38.487 0.010 0.000 1.293 121 N HN 0.858 nan 8.380 nan 0.000 0.498 122 G N 0.204 109.023 108.800 0.031 0.000 2.725 122 G HA2 -0.130 3.830 3.960 0.000 0.000 0.220 122 G HA3 -0.130 3.830 3.960 0.000 0.000 0.220 122 G C -0.515 174.425 174.900 0.068 0.000 1.357 122 G CA -0.247 44.876 45.100 0.039 0.000 0.866 122 G HN 0.811 nan 8.290 nan 0.000 0.548 123 T N -2.422 112.186 114.554 0.091 0.000 2.906 123 T HA 0.765 5.115 4.350 0.000 0.000 0.295 123 T C -0.272 174.614 174.700 0.310 0.000 1.075 123 T CA -0.675 61.526 62.100 0.168 0.000 1.005 123 T CB 2.136 71.111 68.868 0.179 0.000 1.136 123 T HN 1.054 nan 8.240 nan 0.000 0.498 124 I N 1.887 122.647 120.570 0.318 0.000 2.474 124 I HA 0.474 4.644 4.170 0.000 0.000 0.294 124 I C -0.759 175.467 176.117 0.182 0.000 1.005 124 I CA -1.038 60.464 61.300 0.337 0.000 1.113 124 I CB 2.062 40.193 38.000 0.218 0.000 1.289 124 I HN 0.587 nan 8.210 nan 0.000 0.436 125 N N 4.029 122.695 118.700 -0.056 0.000 2.314 125 N HA 0.810 5.550 4.740 0.000 0.000 0.304 125 N C -1.178 174.248 175.510 -0.139 0.000 1.073 125 N CA -0.475 52.403 53.050 -0.287 0.000 0.822 125 N CB 2.301 40.299 38.487 -0.816 0.000 1.280 125 N HN 0.699 nan 8.380 nan 0.000 0.489 126 A N 0.652 123.421 122.820 -0.086 0.000 2.515 126 A HA 0.799 5.119 4.320 0.000 0.000 0.298 126 A C -1.175 176.384 177.584 -0.042 0.000 1.059 126 A CA -0.589 51.429 52.037 -0.031 0.000 0.698 126 A CB 1.011 20.028 19.000 0.029 0.000 1.289 126 A HN 0.384 nan 8.150 nan 0.000 0.404 127 V N -1.103 118.799 119.914 -0.020 0.000 3.049 127 V HA 0.805 4.925 4.120 0.000 0.000 0.309 127 V C -0.305 175.808 176.094 0.033 0.000 1.148 127 V CA -0.725 61.572 62.300 -0.005 0.000 0.990 127 V CB 1.612 33.438 31.823 0.004 0.000 1.039 127 V HN 0.809 nan 8.190 nan 0.000 0.430 128 T N 3.763 118.339 114.554 0.035 0.000 2.758 128 T HA 0.604 4.954 4.350 0.000 0.000 0.285 128 T C -0.931 173.839 174.700 0.117 0.000 0.981 128 T CA 0.083 62.221 62.100 0.063 0.000 0.965 128 T CB 0.752 69.628 68.868 0.014 0.000 0.927 128 T HN 0.659 nan 8.240 nan 0.000 0.448 129 F N 2.743 122.683 119.950 -0.017 0.000 2.436 129 F HA 0.344 4.871 4.527 0.000 0.000 0.340 129 F C 0.825 176.627 175.800 0.002 0.000 1.113 129 F CA -0.947 57.046 58.000 -0.012 0.000 1.022 129 F CB 1.451 40.444 39.000 -0.011 0.000 1.128 129 F HN 0.461 nan 8.300 nan 0.000 0.466 130 Q N 4.610 124.027 119.800 -0.639 0.000 2.404 130 Q HA 0.314 4.654 4.340 0.000 0.000 0.272 130 Q C 0.031 175.611 176.000 -0.700 0.000 0.939 130 Q CA -0.134 55.361 55.803 -0.513 0.000 0.945 130 Q CB 0.022 28.555 28.738 -0.341 0.000 1.195 130 Q HN 0.889 nan 8.270 nan 0.000 0.415 131 G N -0.624 107.649 108.800 -0.878 0.000 2.645 131 G HA2 0.383 4.343 3.960 0.000 0.000 0.292 131 G HA3 0.383 4.343 3.960 0.000 0.000 0.292 131 G C -0.895 174.093 174.900 0.147 0.000 1.415 131 G CA -0.646 44.207 45.100 -0.411 0.000 0.785 131 G HN 0.207 nan 8.290 nan 0.000 0.483 132 S N -0.626 115.240 115.700 0.277 0.000 2.669 132 S HA 0.374 4.844 4.470 0.000 0.000 0.270 132 S C 1.432 176.249 174.600 0.361 0.000 1.225 132 S CA -0.426 57.962 58.200 0.312 0.000 0.991 132 S CB 1.487 64.832 63.200 0.240 0.000 0.987 132 S HN 0.899 nan 8.310 nan 0.000 0.552 133 L N 1.734 123.120 121.223 0.272 0.000 2.013 133 L HA -0.146 4.194 4.340 0.000 0.000 0.212 133 L C 2.543 179.478 176.870 0.107 0.000 1.073 133 L CA 2.704 57.624 54.840 0.133 0.000 0.753 133 L CB -1.489 40.625 42.059 0.091 0.000 0.890 133 L HN 0.990 nan 8.230 nan 0.000 0.432 134 S N -1.933 113.858 115.700 0.152 0.000 2.507 134 S HA -0.114 4.356 4.470 0.000 0.000 0.235 134 S C 1.603 176.265 174.600 0.104 0.000 0.988 134 S CA 0.941 59.216 58.200 0.125 0.000 0.944 134 S CB -0.608 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 0.213 4.563 4.350 0.000 0.000 0.194 135 E C -0.163 176.470 176.600 0.055 0.000 1.012 135 E CA -0.147 56.377 56.400 0.208 0.000 0.860 135 E CB -0.087 29.851 29.700 0.396 0.000 0.811 135 E HN 0.523 nan 8.360 nan 0.000 0.502 136 L N 1.977 123.043 121.223 -0.261 0.000 2.513 136 L HA -0.042 4.298 4.340 0.000 0.000 0.272 136 L C 1.777 178.521 176.870 -0.209 0.000 1.187 136 L CA 0.123 54.635 54.840 -0.545 0.000 0.895 136 L CB 0.733 42.435 42.059 -0.596 0.000 1.147 136 L HN 0.168 nan 8.230 nan 0.000 0.483 137 T N -1.874 112.582 114.554 -0.162 0.000 2.985 137 T HA -0.024 4.326 4.350 0.000 0.000 0.266 137 T C 0.434 175.093 174.700 -0.069 0.000 1.076 137 T CA 0.329 62.386 62.100 -0.071 0.000 1.135 137 T CB 0.119 68.968 68.868 -0.032 0.000 0.890 137 T HN 0.512 nan 8.240 nan 0.000 0.480 138 D N 0.781 121.124 120.400 -0.095 0.000 2.736 138 D HA 0.312 4.952 4.640 0.000 0.000 0.243 138 D C 0.247 176.509 176.300 -0.063 0.000 1.304 138 D CA -0.692 53.273 54.000 -0.058 0.000 0.934 138 D CB 2.238 43.013 40.800 -0.041 0.000 1.382 138 D HN 0.098 nan 8.370 nan 0.000 0.571 139 V N 1.407 121.317 119.914 -0.006 0.000 3.276 139 V HA 0.300 4.420 4.120 0.000 0.000 0.319 139 V C 0.770 176.936 176.094 0.121 0.000 1.427 139 V CA -0.036 62.278 62.300 0.024 0.000 1.102 139 V CB -0.488 31.382 31.823 0.079 0.000 1.020 139 V HN 0.452 nan 8.190 nan 0.000 0.456 140 S N -0.697 115.068 115.700 0.108 0.000 2.584 140 S HA 0.248 4.718 4.470 0.000 0.000 0.270 140 S C 0.868 175.545 174.600 0.128 0.000 1.346 140 S CA 0.250 58.535 58.200 0.142 0.000 1.018 140 S CB 0.621 63.870 63.200 0.082 0.000 0.899 140 S HN 0.472 nan 8.310 nan 0.000 0.542 141 Y N 2.758 123.083 120.300 0.043 0.000 2.062 141 Y HA -0.321 4.229 4.550 0.000 0.000 0.276 141 Y C 2.104 178.013 175.900 0.015 0.000 1.189 141 Y CA 2.725 60.839 58.100 0.023 0.000 1.130 141 Y CB -0.528 37.936 38.460 0.006 0.000 0.959 141 Y HN 0.723 nan 8.280 nan 0.000 0.499 142 N N -0.237 118.549 118.700 0.143 0.000 2.216 142 N HA -0.082 4.658 4.740 0.000 0.000 0.183 142 N C 2.029 177.524 175.510 -0.024 0.000 1.017 142 N CA 1.296 54.375 53.050 0.047 0.000 0.861 142 N CB -0.995 37.555 38.487 0.105 0.000 0.986 142 N HN 0.547 nan 8.380 nan 0.000 0.428 143 G N 1.711 110.508 108.800 -0.006 0.000 2.422 143 G HA2 -0.132 3.828 3.960 0.000 0.000 0.218 143 G HA3 -0.132 3.828 3.960 0.000 0.000 0.218 143 G C 1.662 176.531 174.900 -0.052 0.000 1.140 143 G CA 0.159 45.245 45.100 -0.023 0.000 0.775 143 G HN 0.199 nan 8.290 nan 0.000 0.545 144 L N 0.142 121.319 121.223 -0.077 0.000 2.064 144 L HA -0.198 4.142 4.340 0.000 0.000 0.216 144 L C 2.934 179.756 176.870 -0.081 0.000 1.077 144 L CA 1.168 55.949 54.840 -0.098 0.000 0.766 144 L CB -0.442 41.535 42.059 -0.138 0.000 0.890 144 L HN 0.215 nan 8.230 nan 0.000 0.435 145 M N -0.610 118.936 119.600 -0.089 0.000 2.530 145 M HA -0.113 4.367 4.480 0.000 0.000 0.261 145 M C 1.719 177.996 176.300 -0.039 0.000 1.067 145 M CA 1.277 56.535 55.300 -0.071 0.000 1.071 145 M CB -0.952 31.604 32.600 -0.074 0.000 1.405 145 M HN 0.295 nan 8.290 nan 0.000 0.478 146 S N -1.129 114.555 115.700 -0.028 0.000 2.593 146 S HA 0.415 4.885 4.470 0.000 0.000 0.236 146 S C 1.637 176.248 174.600 0.018 0.000 0.991 146 S CA 0.179 58.375 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 0.395 nan 8.310 nan 0.000 0.488 147 A N 1.912 124.746 122.820 0.024 0.000 2.015 147 A HA 0.173 4.493 4.320 0.000 0.000 0.219 147 A C 1.210 178.914 177.584 0.199 0.000 1.163 147 A CA 0.995 53.093 52.037 0.103 0.000 0.646 147 A CB -0.416 18.616 19.000 0.054 0.000 0.806 147 A HN 0.509 nan 8.150 nan 0.000 0.448 148 T N -3.717 110.897 114.554 0.099 0.000 2.906 148 T HA 0.627 4.977 4.350 0.000 0.000 0.295 148 T C 0.665 175.374 174.700 0.015 0.000 1.075 148 T CA -0.136 61.998 62.100 0.056 0.000 1.005 148 T CB 1.874 70.755 68.868 0.022 0.000 1.136 148 T HN 0.300 nan 8.240 nan 0.000 0.498 149 A N 0.739 123.558 122.820 -0.001 0.000 2.132 149 A HA 0.213 4.533 4.320 0.000 0.000 0.213 149 A C 0.715 178.281 177.584 -0.031 0.000 1.154 149 A CA -0.054 51.974 52.037 -0.015 0.000 0.753 149 A CB -0.725 18.266 19.000 -0.014 0.000 0.826 149 A HN 0.845 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 0.167 4.907 4.740 0.000 0.000 0.265 150 N C 0.661 176.128 175.510 -0.072 0.000 1.184 150 N CA -0.394 52.621 53.050 -0.058 0.000 0.943 150 N CB 0.887 39.334 38.487 -0.067 0.000 1.080 150 N HN 0.254 nan 8.380 nan 0.000 0.477 151 I N 2.823 123.346 120.570 -0.079 0.000 2.454 151 I HA -0.208 3.962 4.170 0.000 0.000 0.254 151 I C 1.057 177.093 176.117 -0.136 0.000 1.156 151 I CA 1.370 62.614 61.300 -0.093 0.000 1.433 151 I CB -0.088 37.862 38.000 -0.084 0.000 1.082 151 I HN 0.545 nan 8.210 nan 0.000 0.432 152 N N 0.465 119.069 118.700 -0.161 0.000 2.314 152 N HA 0.013 4.753 4.740 0.000 0.000 0.200 152 N C 0.190 175.561 175.510 -0.232 0.000 1.135 152 N CA 0.377 53.282 53.050 -0.241 0.000 0.835 152 N CB 0.046 38.377 38.487 -0.260 0.000 0.989 152 N HN 0.411 nan 8.380 nan 0.000 0.478 153 D N 0.321 120.627 120.400 -0.156 0.000 2.479 153 D HA 0.077 4.717 4.640 0.000 0.000 0.218 153 D C 0.090 176.337 176.300 -0.089 0.000 1.177 153 D CA 0.210 54.139 54.000 -0.117 0.000 0.830 153 D CB 0.881 41.635 40.800 -0.077 0.000 1.014 153 D HN 0.394 nan 8.370 nan 0.000 0.503 154 K N -0.067 120.269 120.400 -0.107 0.000 2.502 154 K HA 0.661 4.981 4.320 0.000 0.000 0.257 154 K C -1.430 175.112 176.600 -0.098 0.000 0.938 154 K CA -0.893 55.343 56.287 -0.084 0.000 0.819 154 K CB 2.662 35.122 32.500 -0.066 0.000 1.333 154 K HN -0.178 nan 8.250 nan 0.000 0.434 155 I N 0.675 121.199 120.570 -0.077 0.000 2.656 155 I HA 0.529 4.699 4.170 0.000 0.000 0.292 155 I C -1.220 174.868 176.117 -0.048 0.000 1.144 155 I CA -0.090 61.173 61.300 -0.060 0.000 1.038 155 I CB 2.464 40.437 38.000 -0.045 0.000 1.244 155 I HN 0.873 nan 8.210 nan 0.000 0.420 156 G N 4.217 112.998 108.800 -0.032 0.000 2.530 156 G HA2 0.422 4.382 3.960 0.000 0.000 0.316 156 G HA3 0.422 4.382 3.960 0.000 0.000 0.316 156 G C -0.519 174.397 174.900 0.027 0.000 1.298 156 G CA -0.466 44.617 45.100 -0.028 0.000 0.948 156 G HN 0.675 nan 8.290 nan 0.000 0.486 157 N N -0.209 118.533 118.700 0.070 0.000 2.738 157 N HA -0.167 4.573 4.740 0.000 0.000 0.249 157 N C 0.326 175.901 175.510 0.110 0.000 1.047 157 N CA 0.668 53.802 53.050 0.140 0.000 0.707 157 N CB -1.060 37.503 38.487 0.127 0.000 0.937 157 N HN 0.417 nan 8.380 nan 0.000 0.545 158 V N 1.132 121.110 119.914 0.107 0.000 2.614 158 V HA 0.105 4.225 4.120 0.000 0.000 0.291 158 V C 1.458 177.617 176.094 0.108 0.000 1.049 158 V CA -0.512 61.846 62.300 0.097 0.000 1.038 158 V CB 0.999 32.879 31.823 0.095 0.000 0.980 158 V HN 0.173 nan 8.190 nan 0.000 0.481 159 L N 4.747 126.022 121.223 0.087 0.000 2.490 159 L HA 0.058 4.398 4.340 0.000 0.000 0.274 159 L C 1.459 178.375 176.870 0.077 0.000 1.201 159 L CA -0.036 54.850 54.840 0.077 0.000 0.869 159 L CB 0.600 42.694 42.059 0.059 0.000 1.123 159 L HN 0.501 nan 8.230 nan 0.000 0.484 160 V N 3.429 123.387 119.914 0.074 0.000 2.407 160 V HA -0.194 3.926 4.120 0.000 0.000 0.248 160 V C 2.268 178.383 176.094 0.035 0.000 1.055 160 V CA 2.162 64.497 62.300 0.059 0.000 1.049 160 V CB -0.715 31.136 31.823 0.046 0.000 0.662 160 V HN 1.115 nan 8.190 nan 0.000 0.455 161 G N -0.692 108.128 108.800 0.032 0.000 2.422 161 G HA2 -0.283 3.677 3.960 0.000 0.000 0.218 161 G HA3 -0.283 3.677 3.960 0.000 0.000 0.218 161 G C 1.555 176.473 174.900 0.031 0.000 1.146 161 G CA 0.972 46.087 45.100 0.025 0.000 0.769 161 G HN 0.575 nan 8.290 nan 0.000 0.547 162 E N 0.106 120.332 120.200 0.043 0.000 2.051 162 E HA 0.272 4.622 4.350 0.000 0.000 0.189 162 E C 1.344 177.977 176.600 0.056 0.000 0.979 162 E CA 0.794 57.224 56.400 0.051 0.000 0.803 162 E CB -0.111 29.625 29.700 0.060 0.000 0.761 162 E HN 0.473 nan 8.360 nan 0.000 0.451 163 G N -0.078 108.760 108.800 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 -0.956 173.992 174.900 0.081 0.000 1.320 163 G CA -0.312 44.827 45.100 0.065 0.000 0.860 163 G HN 0.287 nan 8.290 nan 0.000 0.538 164 V N 0.207 120.168 119.914 0.080 0.000 2.769 164 V HA 0.827 4.947 4.120 0.000 0.000 0.312 164 V C 0.335 176.457 176.094 0.046 0.000 1.061 164 V CA -0.102 62.252 62.300 0.090 0.000 0.931 164 V CB 2.368 34.254 31.823 0.105 0.000 1.010 164 V HN 1.168 nan 8.190 nan 0.000 0.433 165 T N 3.630 118.206 114.554 0.037 0.000 2.792 165 T HA 0.525 4.875 4.350 0.000 0.000 0.280 165 T C -0.589 174.078 174.700 -0.056 0.000 0.990 165 T CA -0.310 61.719 62.100 -0.118 0.000 0.960 165 T CB 1.461 70.084 68.868 -0.409 0.000 0.939 165 T HN 0.340 nan 8.240 nan 0.000 0.439 166 V N 4.732 124.555 119.914 -0.152 0.000 2.383 166 V HA 0.485 4.605 4.120 0.000 0.000 0.275 166 V C -0.362 175.626 176.094 -0.177 0.000 1.036 166 V CA -0.747 61.474 62.300 -0.133 0.000 0.889 166 V CB 1.227 32.889 31.823 -0.269 0.000 0.985 166 V HN 0.650 nan 8.190 nan 0.000 0.459 167 L N 4.912 126.105 121.223 -0.050 0.000 2.333 167 L HA 0.591 4.931 4.340 0.000 0.000 0.280 167 L C 0.227 177.088 176.870 -0.015 0.000 1.004 167 L CA 0.241 55.054 54.840 -0.046 0.000 0.820 167 L CB 2.045 44.162 42.059 0.096 0.000 1.247 167 L HN 0.632 nan 8.230 nan 0.000 0.416 168 S N 5.991 121.668 115.700 -0.039 0.000 2.448 168 S HA 0.538 5.008 4.470 0.000 0.000 0.279 168 S C -0.414 174.186 174.600 0.000 0.000 1.195 168 S CA -0.524 57.666 58.200 -0.017 0.000 1.051 168 S CB -0.300 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 6.474 127.696 121.223 -0.003 0.000 2.331 169 L HA 0.569 4.909 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 1.504 43.553 42.059 -0.016 0.000 1.257 169 L HN 0.526 nan 8.230 nan 0.000 0.435 170 P HA 0.088 nan 4.420 nan 0.000 0.271 170 P C -0.578 176.577 177.300 -0.241 0.000 1.218 170 P CA -0.208 62.752 63.100 -0.234 0.000 0.780 170 P CB 0.676 32.041 31.700 -0.559 0.000 0.901 171 T N -2.120 112.283 114.554 -0.252 0.000 3.331 171 T HA 0.492 4.842 4.350 0.000 0.000 0.381 171 T C -0.265 174.270 174.700 -0.276 0.000 1.656 171 T CA -0.684 61.286 62.100 -0.217 0.000 1.453 171 T CB -0.780 68.001 68.868 -0.146 0.000 1.066 171 T HN 0.624 nan 8.240 nan 0.000 0.655 172 S N 1.318 116.813 115.700 -0.341 0.000 2.912 172 S HA -0.103 4.367 4.470 0.000 0.000 0.857 172 S C -0.770 173.573 174.600 -0.428 0.000 0.919 172 S CA -0.679 57.334 58.200 -0.311 0.000 1.424 172 S CB -1.027 62.040 63.200 -0.220 0.000 1.019 172 S HN 0.718 nan 8.310 nan 0.000 0.231 173 Y N 2.105 122.372 120.300 -0.055 0.000 2.645 173 Y HA 0.460 5.010 4.550 0.000 0.000 0.341 173 Y C 1.329 177.190 175.900 -0.064 0.000 1.234 173 Y CA -0.254 57.810 58.100 -0.060 0.000 1.352 173 Y CB 0.425 38.851 38.460 -0.057 0.000 1.556 173 Y HN 0.771 nan 8.280 nan 0.000 0.607 174 D N 0.757 121.250 120.400 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 0.043 0.000 1.155 174 D CA 0.759 54.801 54.000 0.069 0.000 0.667 174 D CB -1.110 39.720 40.800 0.051 0.000 1.060 174 D HN 0.267 nan 8.370 nan 0.000 0.427 175 L N -0.120 121.124 121.223 0.035 0.000 2.417 175 L HA 0.404 4.744 4.340 0.000 0.000 0.268 175 L C 1.828 178.775 176.870 0.129 0.000 1.158 175 L CA -0.140 54.709 54.840 0.015 0.000 0.819 175 L CB 0.845 42.855 42.059 -0.082 0.000 1.112 175 L HN 0.033 nan 8.230 nan 0.000 0.458 176 G N 0.569 109.513 108.800 0.240 0.000 2.606 176 G HA2 0.174 4.134 3.960 0.000 0.000 0.252 176 G HA3 0.174 4.134 3.960 0.000 0.000 0.252 176 G C -0.871 174.186 174.900 0.262 0.000 1.206 176 G CA -0.340 44.919 45.100 0.265 0.000 0.861 176 G HN 0.342 nan 8.290 nan 0.000 0.561 177 Y N -0.500 119.866 120.300 0.110 0.000 2.511 177 Y HA 0.230 4.780 4.550 -0.000 0.000 0.332 177 Y C 0.895 176.853 175.900 0.098 0.000 1.177 177 Y CA 0.218 58.381 58.100 0.105 0.000 1.422 177 Y CB 1.029 39.528 38.460 0.064 0.000 1.271 177 Y HN 0.147 nan 8.280 nan 0.000 0.550 178 V N 5.355 125.310 119.914 0.068 0.000 2.427 178 V HA 0.312 4.432 4.120 0.000 0.000 0.286 178 V C 0.142 176.240 176.094 0.007 0.000 1.034 178 V CA -1.204 61.009 62.300 -0.146 0.000 0.893 178 V CB 1.367 32.870 31.823 -0.533 0.000 0.982 178 V HN 0.635 nan 8.190 nan 0.000 0.452 179 R N 3.846 124.308 120.500 -0.063 0.000 2.401 179 R HA 0.358 4.698 4.340 0.000 0.000 0.299 179 R C -0.429 175.738 176.300 -0.221 0.000 1.064 179 R CA -0.307 55.605 56.100 -0.313 0.000 1.000 179 R CB 0.286 30.368 30.300 -0.364 0.000 0.973 179 R HN 0.621 nan 8.270 nan 0.000 0.438 180 L N 2.136 123.231 121.223 -0.213 0.000 2.479 180 L HA 0.239 4.579 4.340 0.000 0.000 0.248 180 L C 1.492 178.306 176.870 -0.094 0.000 1.205 180 L CA -0.105 54.667 54.840 -0.113 0.000 0.817 180 L CB 0.557 42.576 42.059 -0.068 0.000 1.162 180 L HN 0.801 nan 8.230 nan 0.000 0.486 181 G N 0.220 109.001 108.800 -0.033 0.000 3.455 181 G HA2 0.040 4.000 3.960 0.000 0.000 0.250 181 G HA3 0.040 4.000 3.960 0.000 0.000 0.250 181 G C -0.059 174.820 174.900 -0.036 0.000 1.071 181 G CA -0.405 44.679 45.100 -0.027 0.000 1.812 181 G HN 0.708 nan 8.290 nan 0.000 0.643 182 D N 1.131 121.491 120.400 -0.067 0.000 2.382 182 D HA 0.135 4.775 4.640 0.000 0.000 0.245 182 D C -2.473 173.798 176.300 -0.049 0.000 1.120 182 D CA -1.553 52.412 54.000 -0.058 0.000 0.890 182 D CB 1.884 42.635 40.800 -0.082 0.000 1.201 182 D HN 0.071 nan 8.370 nan 0.000 0.433 183 P HA 0.153 nan 4.420 nan 0.000 0.268 183 P C -0.446 176.834 177.300 -0.033 0.000 1.205 183 P CA -0.411 62.672 63.100 -0.028 0.000 0.771 183 P CB 0.834 32.521 31.700 -0.021 0.000 0.858 184 I N 5.031 125.584 120.570 -0.028 0.000 2.562 184 I HA 0.407 4.577 4.170 0.000 0.000 0.301 184 I C -2.233 173.872 176.117 -0.020 0.000 1.003 184 I CA -3.101 58.183 61.300 -0.027 0.000 1.127 184 I CB 1.240 39.223 38.000 -0.028 0.000 1.304 184 I HN 0.210 nan 8.210 nan 0.000 0.446 185 P HA 0.440 nan 4.420 nan 0.000 0.267 185 P C -1.555 175.738 177.300 -0.011 0.000 1.209 185 P CA -0.159 62.932 63.100 -0.013 0.000 0.763 185 P CB 0.486 32.179 31.700 -0.012 0.000 0.816 186 A N 3.440 126.254 122.820 -0.010 0.000 2.566 186 A HA 0.689 5.009 4.320 0.000 0.000 0.297 186 A C -0.802 176.778 177.584 -0.007 0.000 1.059 186 A CA -0.691 51.341 52.037 -0.008 0.000 0.691 186 A CB 0.965 19.960 19.000 -0.009 0.000 1.282 186 A HN 0.567 nan 8.150 nan 0.000 0.401 187 I N -0.524 120.043 120.570 -0.006 0.000 2.603 187 I HA 1.008 5.178 4.170 0.000 0.000 0.300 187 I C 0.118 176.232 176.117 -0.004 0.000 1.017 187 I CA -0.867 60.430 61.300 -0.005 0.000 1.098 187 I CB 2.439 40.437 38.000 -0.004 0.000 1.279 187 I HN 0.977 nan 8.210 nan 0.000 0.437 188 G N 3.812 112.610 108.800 -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 -0.205 174.694 174.900 -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 0.056 4.396 4.340 0.000 0.000 0.212 189 L C 0.821 177.690 176.870 -0.001 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 0.117 4.757 4.640 0.000 0.000 0.248 190 D C -1.532 174.768 176.300 -0.000 0.000 1.154 190 D CA -2.015 51.985 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 -0.145 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 1.347 64.447 63.100 0.001 0.000 0.865 191 P CB 0.265 31.966 31.700 0.002 0.000 0.789 192 K N -1.410 118.991 120.400 0.002 0.000 2.504 192 K HA 0.126 4.446 4.320 0.000 0.000 0.199 192 K C 0.757 177.359 176.600 0.003 0.000 1.028 192 K CA -0.246 56.043 56.287 0.004 0.000 1.164 192 K CB -0.294 32.208 32.500 0.004 0.000 0.877 192 K HN 0.194 nan 8.250 nan 0.000 0.508 193 M N 1.953 121.554 119.600 0.001 0.000 2.219 193 M HA 0.085 4.565 4.480 0.000 0.000 0.353 193 M C -1.063 175.237 176.300 -0.000 0.000 1.304 193 M CA 0.347 55.647 55.300 -0.000 0.000 1.115 193 M CB 0.696 33.295 32.600 -0.002 0.000 1.664 193 M HN -0.207 nan 8.290 nan 0.000 0.459 194 V N 4.652 124.565 119.914 -0.001 0.000 2.623 194 V HA 0.729 4.849 4.120 0.000 0.000 0.304 194 V C -0.696 175.395 176.094 -0.004 0.000 1.054 194 V CA -0.835 61.464 62.300 -0.001 0.000 0.882 194 V CB 1.697 33.521 31.823 0.002 0.000 1.002 194 V HN 0.951 nan 8.190 nan 0.000 0.424 195 A N 3.431 126.246 122.820 -0.009 0.000 2.357 195 A HA 0.914 5.234 4.320 0.000 0.000 0.295 195 A C -0.127 177.446 177.584 -0.020 0.000 1.121 195 A CA -0.280 51.749 52.037 -0.014 0.000 0.742 195 A CB 1.509 20.501 19.000 -0.014 0.000 1.181 195 A HN 0.947 nan 8.150 nan 0.000 0.454 196 T N -1.922 112.617 114.554 -0.025 0.000 2.907 196 T HA 0.609 4.959 4.350 0.000 0.000 0.290 196 T C -0.647 174.023 174.700 -0.050 0.000 1.066 196 T CA -0.792 61.287 62.100 -0.034 0.000 1.012 196 T CB 1.465 70.317 68.868 -0.027 0.000 1.184 196 T HN 1.043 nan 8.240 nan 0.000 0.522 197 C N 2.308 121.568 119.300 -0.066 0.000 2.293 197 C HA 0.645 5.105 4.460 0.000 0.000 0.323 197 C C -0.849 174.081 174.990 -0.100 0.000 1.240 197 C CA -0.476 58.491 59.018 -0.085 0.000 1.497 197 C CB -1.048 26.635 27.740 -0.095 0.000 2.171 197 C HN 0.882 nan 8.230 nan 0.000 0.465 198 D N 2.915 123.257 120.400 -0.097 0.000 2.277 198 D HA 0.307 4.947 4.640 0.000 0.000 0.250 198 D C -0.054 176.198 176.300 -0.080 0.000 1.032 198 D CA 0.003 53.956 54.000 -0.080 0.000 0.947 198 D CB 1.568 42.326 40.800 -0.069 0.000 1.159 198 D HN 0.550 nan 8.370 nan 0.000 0.460 199 S N 0.053 115.715 115.700 -0.063 0.000 2.629 199 S HA 0.116 4.586 4.470 0.000 0.000 0.302 199 S C 1.066 175.662 174.600 -0.006 0.000 1.244 199 S CA -0.108 58.048 58.200 -0.073 0.000 1.098 199 S CB 0.134 63.270 63.200 -0.105 0.000 0.858 199 S HN 0.523 nan 8.310 nan 0.000 0.502 200 S N 1.254 116.953 115.700 -0.002 0.000 3.019 200 S HA 0.120 4.590 4.470 0.000 0.000 0.258 200 S C -0.364 174.280 174.600 0.074 0.000 1.082 200 S CA -0.534 57.695 58.200 0.049 0.000 0.836 200 S CB -0.448 62.748 63.200 -0.006 0.000 0.834 200 S HN 0.572 nan 8.310 nan 0.000 0.457 201 D N 3.449 123.885 120.400 0.061 0.000 2.571 201 D HA 0.242 4.882 4.640 0.000 0.000 0.231 201 D C 0.111 176.482 176.300 0.118 0.000 1.133 201 D CA 0.620 54.675 54.000 0.092 0.000 0.862 201 D CB -0.057 40.812 40.800 0.115 0.000 1.179 201 D HN 0.177 nan 8.370 nan 0.000 0.474 202 R N -0.422 120.141 120.500 0.105 0.000 3.125 202 R HA -0.101 4.239 4.340 0.000 0.000 0.258 202 R C -2.482 173.863 176.300 0.074 0.000 0.968 202 R CA -0.032 56.123 56.100 0.093 0.000 0.656 202 R CB -1.843 28.543 30.300 0.144 0.000 1.251 202 R HN 0.453 nan 8.270 nan 0.000 0.428 203 P HA 0.085 nan 4.420 nan 0.000 0.272 203 P C -0.277 177.009 177.300 -0.023 0.000 1.230 203 P CA -0.120 63.002 63.100 0.036 0.000 0.788 203 P CB 0.737 32.467 31.700 0.050 0.000 0.949 204 R N 1.183 121.645 120.500 -0.064 0.000 2.407 204 R HA 0.521 4.861 4.340 0.000 0.000 0.303 204 R C -1.364 174.811 176.300 -0.210 0.000 0.981 204 R CA -0.734 55.269 56.100 -0.161 0.000 0.905 204 R CB 0.895 31.081 30.300 -0.189 0.000 1.099 204 R HN 0.260 nan 8.270 nan 0.000 0.459 205 V N 5.462 125.217 119.914 -0.266 0.000 2.487 205 V HA 0.364 4.484 4.120 0.000 0.000 0.298 205 V C -1.203 174.716 176.094 -0.292 0.000 1.028 205 V CA -0.703 61.478 62.300 -0.198 0.000 0.860 205 V CB 1.471 33.235 31.823 -0.099 0.000 0.991 205 V HN 0.689 nan 8.190 nan 0.000 0.427 206 Y N 1.819 122.099 120.300 -0.034 0.000 2.342 206 Y HA 0.600 5.150 4.550 0.000 0.000 0.334 206 Y C 0.757 176.618 175.900 -0.064 0.000 1.067 206 Y CA -0.518 57.558 58.100 -0.040 0.000 1.128 206 Y CB 2.033 40.475 38.460 -0.029 0.000 1.200 206 Y HN 0.497 nan 8.280 nan 0.000 0.464 207 T N 5.157 119.756 114.554 0.076 0.000 2.786 207 T HA 0.578 4.928 4.350 0.000 0.000 0.283 207 T C -0.579 174.075 174.700 -0.077 0.000 0.992 207 T CA -0.523 61.566 62.100 -0.020 0.000 0.954 207 T CB 0.329 69.176 68.868 -0.036 0.000 0.934 207 T HN 0.378 nan 8.240 nan 0.000 0.440 208 I N 2.874 123.337 120.570 -0.178 0.000 2.411 208 I HA 0.247 4.417 4.170 0.000 0.000 0.284 208 I C 0.242 176.148 176.117 -0.351 0.000 1.012 208 I CA -0.641 60.460 61.300 -0.332 0.000 1.119 208 I CB 1.725 39.368 38.000 -0.595 0.000 1.261 208 I HN 0.477 nan 8.210 nan 0.000 0.448 209 T N 5.776 120.172 114.554 -0.263 0.000 2.863 209 T HA 0.210 4.560 4.350 0.000 0.000 0.299 209 T C 1.203 175.751 174.700 -0.255 0.000 0.973 209 T CA -0.237 61.737 62.100 -0.211 0.000 0.994 209 T CB 1.084 69.878 68.868 -0.123 0.000 0.961 209 T HN 0.753 nan 8.240 nan 0.000 0.552 210 A N 2.920 125.555 122.820 -0.308 0.000 2.014 210 A HA 0.563 4.883 4.320 0.000 0.000 0.218 210 A C 1.212 178.762 177.584 -0.058 0.000 1.163 210 A CA 0.583 52.468 52.037 -0.253 0.000 0.652 210 A CB 0.109 19.033 19.000 -0.127 0.000 0.808 210 A HN 0.890 nan 8.150 nan 0.000 0.449 211 A N -0.850 121.945 122.820 -0.042 0.000 2.540 211 A HA 0.542 4.862 4.320 0.000 0.000 0.297 211 A C -2.002 175.600 177.584 0.029 0.000 1.056 211 A CA -0.352 51.711 52.037 0.044 0.000 0.700 211 A CB 1.043 20.112 19.000 0.116 0.000 1.280 211 A HN 0.026 nan 8.150 nan 0.000 0.398 212 D N 2.172 122.615 120.400 0.073 0.000 2.375 212 D HA 0.430 5.070 4.640 0.000 0.000 0.259 212 D C -0.781 175.571 176.300 0.086 0.000 1.235 212 D CA 0.252 54.283 54.000 0.051 0.000 0.924 212 D CB 0.465 41.283 40.800 0.029 0.000 1.143 212 D HN 0.471 nan 8.370 nan 0.000 0.529 213 D N 2.079 122.529 120.400 0.083 0.000 2.686 213 D HA -0.297 4.343 4.640 0.000 0.000 0.235 213 D C -0.494 175.888 176.300 0.136 0.000 1.160 213 D CA 0.579 54.635 54.000 0.094 0.000 0.645 213 D CB -1.795 39.038 40.800 0.055 0.000 1.039 213 D HN 0.453 nan 8.370 nan 0.000 0.423 214 Y N 1.314 121.673 120.300 0.098 0.000 2.537 214 Y HA 0.136 4.686 4.550 0.000 0.000 0.339 214 Y C 0.504 176.494 175.900 0.149 0.000 1.066 214 Y CA -0.097 58.078 58.100 0.125 0.000 1.357 214 Y CB 0.515 39.076 38.460 0.169 0.000 1.175 214 Y HN -0.018 nan 8.280 nan 0.000 0.525 215 Q N 7.371 126.779 119.800 -0.654 0.000 2.288 215 Q HA 0.160 4.500 4.340 0.000 0.000 0.258 215 Q C -1.200 174.196 176.000 -1.007 0.000 0.957 215 Q CA -0.263 55.192 55.803 -0.581 0.000 0.919 215 Q CB 1.488 30.018 28.738 -0.347 0.000 1.185 215 Q HN 0.752 nan 8.270 nan 0.000 0.408 216 F N 1.194 120.602 119.950 -0.904 0.000 2.469 216 F HA 0.512 5.039 4.527 0.000 0.000 0.332 216 F C -0.597 174.841 175.800 -0.603 0.000 1.103 216 F CA -0.519 56.929 58.000 -0.920 0.000 0.979 216 F CB 1.790 39.750 39.000 -1.733 0.000 1.137 216 F HN 0.374 nan 8.300 nan 0.000 0.463 217 S N 4.052 118.990 115.700 -1.270 0.000 2.603 217 S HA 0.671 5.141 4.470 0.000 0.000 0.274 217 S C -1.462 172.593 174.600 -0.908 0.000 1.168 217 S CA -0.386 57.294 58.200 -0.867 0.000 0.963 217 S CB 1.231 64.162 63.200 -0.449 0.000 1.078 217 S HN 0.952 nan 8.310 nan 0.000 0.477 218 S N 2.789 118.105 115.700 -0.640 0.000 2.565 218 S HA 0.402 4.872 4.470 0.000 0.000 0.274 218 S C -1.826 172.701 174.600 -0.122 0.000 1.144 218 S CA -0.617 57.362 58.200 -0.369 0.000 0.849 218 S CB 1.437 64.408 63.200 -0.382 0.000 1.103 218 S HN 0.747 nan 8.310 nan 0.000 0.455 219 Q N 1.578 121.347 119.800 -0.051 0.000 2.354 219 Q HA 0.206 4.546 4.340 0.000 0.000 0.244 219 Q C -0.733 175.326 176.000 0.097 0.000 0.969 219 Q CA -0.216 55.605 55.803 0.028 0.000 0.885 219 Q CB 0.510 29.257 28.738 0.016 0.000 1.241 219 Q HN 0.721 nan 8.270 nan 0.000 0.461 220 Y N 1.800 122.117 120.300 0.029 0.000 2.788 220 Y HA -0.074 4.476 4.550 0.000 0.000 0.341 220 Y C -0.490 175.437 175.900 0.045 0.000 1.258 220 Y CA 0.629 58.759 58.100 0.049 0.000 1.503 220 Y CB 0.469 38.954 38.460 0.041 0.000 1.325 220 Y HN 0.480 nan 8.280 nan 0.000 0.614 221 Q N 6.923 126.216 119.800 -0.845 0.000 2.268 221 Q HA 0.419 4.759 4.340 0.000 0.000 0.266 221 Q C -2.966 172.460 176.000 -0.956 0.000 1.006 221 Q CA -2.545 52.785 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 0.151 nan 4.420 nan 0.000 0.263 222 P C 0.515 177.733 177.300 -0.137 0.000 1.195 222 P CA 1.337 64.279 63.100 -0.262 0.000 0.762 222 P CB 0.756 32.389 31.700 -0.111 0.000 0.799 223 G N 2.163 110.937 108.800 -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 0.235 45.324 45.100 -0.018 0.000 0.618 223 G HN 1.068 nan 8.290 nan 0.000 0.516 224 G N -2.285 106.496 108.800 -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 -0.588 174.331 174.900 0.032 0.000 1.306 224 G CA 0.083 45.197 45.100 0.023 0.000 0.897 224 G HN 1.549 nan 8.290 nan 0.000 0.520 225 V N 0.841 120.817 119.914 0.103 0.000 2.407 225 V HA 0.649 4.769 4.120 0.000 0.000 0.291 225 V C 0.421 176.604 176.094 0.149 0.000 1.018 225 V CA -0.224 62.163 62.300 0.145 0.000 0.842 225 V CB 1.577 33.555 31.823 0.257 0.000 0.996 225 V HN 0.999 nan 8.190 nan 0.000 0.426 226 T N 6.878 121.499 114.554 0.112 0.000 2.799 226 T HA 0.725 5.075 4.350 0.000 0.000 0.286 226 T C -0.178 174.598 174.700 0.126 0.000 0.973 226 T CA -0.081 62.077 62.100 0.097 0.000 1.035 226 T CB 0.874 69.781 68.868 0.064 0.000 0.932 226 T HN 0.649 nan 8.240 nan 0.000 0.469 227 I N -0.678 119.973 120.570 0.135 0.000 2.892 227 I HA 0.665 4.835 4.170 0.000 0.000 0.306 227 I C -0.450 175.728 176.117 0.100 0.000 1.078 227 I CA -0.937 60.454 61.300 0.151 0.000 1.032 227 I CB 2.339 40.489 38.000 0.251 0.000 1.229 227 I HN 0.300 nan 8.210 nan 0.000 0.435 228 T N 4.951 119.543 114.554 0.063 0.000 2.832 228 T HA 0.242 4.592 4.350 0.000 0.000 0.313 228 T C 0.733 175.441 174.700 0.014 0.000 1.035 228 T CA -0.273 61.833 62.100 0.010 0.000 0.950 228 T CB 1.057 69.907 68.868 -0.030 0.000 0.984 228 T HN 0.593 nan 8.240 nan 0.000 0.486 229 L N 4.508 125.746 121.223 0.024 0.000 2.046 229 L HA 0.238 4.578 4.340 0.000 0.000 0.208 229 L C 0.214 177.155 176.870 0.117 0.000 1.077 229 L CA 1.759 56.642 54.840 0.071 0.000 0.747 229 L CB -0.276 41.896 42.059 0.189 0.000 0.896 229 L HN 0.710 nan 8.230 nan 0.000 0.432 230 F N -3.283 116.662 119.950 -0.008 0.000 2.713 230 F HA 0.651 5.178 4.527 0.000 0.000 0.311 230 F C -0.724 175.070 175.800 -0.011 0.000 1.141 230 F CA -0.906 57.077 58.000 -0.028 0.000 0.939 230 F CB 0.735 39.708 39.000 -0.045 0.000 1.325 230 F HN -0.304 nan 8.300 nan 0.000 0.453 231 S N 1.167 116.987 115.700 0.200 0.000 2.548 231 S HA 0.896 5.366 4.470 0.000 0.000 0.276 231 S C -1.523 173.200 174.600 0.206 0.000 1.129 231 S CA 0.090 58.347 58.200 0.095 0.000 0.931 231 S CB 1.267 64.468 63.200 0.001 0.000 1.068 231 S HN 1.684 nan 8.310 nan 0.000 0.480 232 A N 3.857 126.781 122.820 0.173 0.000 2.488 232 A HA 0.704 5.024 4.320 0.000 0.000 0.298 232 A C -1.197 176.373 177.584 -0.023 0.000 1.044 232 A CA -0.887 51.198 52.037 0.079 0.000 0.693 232 A CB 1.066 20.112 19.000 0.077 0.000 1.272 232 A HN 0.714 nan 8.150 nan 0.000 0.402 233 N N 1.468 120.137 118.700 -0.052 0.000 2.442 233 N HA 0.526 5.266 4.740 0.000 0.000 0.265 233 N C -0.214 175.164 175.510 -0.220 0.000 1.138 233 N CA 0.277 53.280 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 -1.049 175.017 176.117 -0.086 0.000 1.154 234 I CA -0.965 60.039 61.300 -0.493 0.000 0.962 234 I CB 2.666 40.205 38.000 -0.768 0.000 1.265 234 I HN 0.027 nan 8.210 nan 0.000 0.463 235 D N 2.077 122.536 120.400 0.100 0.000 2.646 235 D HA 0.719 5.359 4.640 0.000 0.000 0.245 235 D C -1.165 175.220 176.300 0.142 0.000 1.099 235 D CA -0.225 53.863 54.000 0.146 0.000 0.849 235 D CB 2.396 43.313 40.800 0.195 0.000 1.448 235 D HN 0.902 nan 8.370 nan 0.000 0.489 236 A N 1.999 124.868 122.820 0.081 0.000 2.517 236 A HA 0.528 4.848 4.320 0.000 0.000 0.297 236 A C -0.194 177.394 177.584 0.005 0.000 1.050 236 A CA -0.517 51.553 52.037 0.055 0.000 0.694 236 A CB 0.919 19.952 19.000 0.054 0.000 1.277 236 A HN 0.552 nan 8.150 nan 0.000 0.400 237 I N 0.521 121.078 120.570 -0.021 0.000 4.124 237 I HA 0.118 4.288 4.170 0.000 0.000 0.311 237 I C 1.270 177.376 176.117 -0.018 0.000 1.259 237 I CA 1.075 62.323 61.300 -0.087 0.000 1.315 237 I CB 0.652 38.503 38.000 -0.249 0.000 1.223 237 I HN 0.791 nan 8.210 nan 0.000 0.441 238 T N -1.446 113.136 114.554 0.046 0.000 2.762 238 T HA 0.410 4.760 4.350 0.000 0.000 0.272 238 T C 0.322 175.074 174.700 0.085 0.000 0.982 238 T CA -0.493 61.653 62.100 0.077 0.000 1.013 238 T CB 1.158 70.101 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 0.373 4.843 4.470 0.000 0.000 0.291 239 S C 0.039 174.750 174.600 0.185 0.000 1.306 239 S CA -0.436 57.859 58.200 0.158 0.000 1.056 239 S CB -0.973 62.340 63.200 0.188 0.000 0.836 239 S HN 1.187 nan 8.310 nan 0.000 0.504 240 L N -0.524 120.770 121.223 0.118 0.000 2.491 240 L HA 0.950 5.290 4.340 0.000 0.000 0.254 240 L C -0.656 176.221 176.870 0.011 0.000 1.048 240 L CA -1.006 53.803 54.840 -0.052 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 -0.204 115.459 115.700 -0.061 0.000 2.569 241 S HA 0.889 5.359 4.470 0.000 0.000 0.280 241 S C -1.081 173.545 174.600 0.044 0.000 1.111 241 S CA -0.686 57.543 58.200 0.048 0.000 0.887 241 S CB 1.981 65.256 63.200 0.125 0.000 1.095 241 S HN 0.663 nan 8.310 nan 0.000 0.476 242 V N 1.485 121.452 119.914 0.089 0.000 2.487 242 V HA 0.844 4.964 4.120 0.000 0.000 0.298 242 V C 0.690 176.869 176.094 0.140 0.000 1.028 242 V CA 0.003 62.368 62.300 0.109 0.000 0.860 242 V CB 1.212 33.133 31.823 0.163 0.000 0.991 242 V HN 1.250 nan 8.190 nan 0.000 0.427 243 G N 1.782 110.638 108.800 0.093 0.000 2.714 243 G HA2 0.909 4.869 3.960 0.000 0.000 0.292 243 G HA3 0.909 4.869 3.960 0.000 0.000 0.292 243 G C -0.146 174.789 174.900 0.058 0.000 1.308 243 G CA -0.225 44.939 45.100 0.107 0.000 0.964 243 G HN 1.493 nan 8.290 nan 0.000 0.484 244 G N -1.152 107.699 108.800 0.085 0.000 2.373 244 G HA2 0.351 4.311 3.960 0.000 0.000 0.634 244 G HA3 0.351 4.311 3.960 0.000 0.000 0.634 244 G C -0.984 174.002 174.900 0.144 0.000 1.267 244 G CA 0.064 45.184 45.100 0.032 0.000 1.008 244 G HN 0.935 nan 8.290 nan 0.000 0.497 245 E N -1.163 119.088 120.200 0.085 0.000 2.354 245 E HA 0.550 4.900 4.350 0.000 0.000 0.283 245 E C -0.956 175.701 176.600 0.095 0.000 0.938 245 E CA -0.768 55.743 56.400 0.185 0.000 0.777 245 E CB 1.574 31.341 29.700 0.111 0.000 1.222 245 E HN 0.604 nan 8.360 nan 0.000 0.423 246 L N 2.944 124.277 121.223 0.183 0.000 2.325 246 L HA 0.635 4.975 4.340 0.000 0.000 0.278 246 L C -0.664 176.150 176.870 -0.094 0.000 1.023 246 L CA -1.112 53.711 54.840 -0.029 0.000 0.811 246 L CB 1.787 43.825 42.059 -0.035 0.000 1.249 246 L HN 0.298 nan 8.230 nan 0.000 0.431 247 V N 2.572 122.328 119.914 -0.264 0.000 2.448 247 V HA 0.445 4.565 4.120 0.000 0.000 0.295 247 V C -0.694 175.198 176.094 -0.336 0.000 1.025 247 V CA -0.442 61.765 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 4.322 124.259 119.950 -0.022 0.000 2.469 248 F HA 0.716 5.243 4.527 0.000 0.000 0.332 248 F C 0.553 176.372 175.800 0.032 0.000 1.103 248 F CA -0.688 57.297 58.000 -0.025 0.000 0.979 248 F CB 1.695 40.581 39.000 -0.190 0.000 1.137 248 F HN 0.252 nan 8.300 nan 0.000 0.463 249 R N 1.145 121.802 120.500 0.262 0.000 2.803 249 R HA 0.759 5.099 4.340 0.000 0.000 0.276 249 R C -0.832 175.608 176.300 0.232 0.000 0.978 249 R CA -0.806 55.407 56.100 0.189 0.000 0.939 249 R CB 2.156 32.534 30.300 0.130 0.000 1.179 249 R HN 0.694 nan 8.270 nan 0.000 0.472 250 T N -1.029 113.614 114.554 0.148 0.000 2.885 250 T HA 0.230 4.580 4.350 0.000 0.000 0.322 250 T C -0.001 174.715 174.700 0.027 0.000 1.387 250 T CA -0.403 61.776 62.100 0.132 0.000 1.041 250 T CB 1.428 70.402 68.868 0.177 0.000 1.287 250 T HN 0.452 nan 8.240 nan 0.000 0.491 251 S N 0.946 116.650 115.700 0.008 0.000 2.511 251 S HA 0.243 4.713 4.470 0.000 0.000 0.214 251 S C 0.403 174.920 174.600 -0.139 0.000 0.997 251 S CA -0.125 58.040 58.200 -0.059 0.000 0.908 251 S CB 0.362 63.552 63.200 -0.015 0.000 0.803 251 S HN 0.592 nan 8.310 nan 0.000 0.504 252 V N 3.802 123.668 119.914 -0.080 0.000 2.439 252 V HA 0.297 4.417 4.120 0.000 0.000 0.282 252 V C 0.030 176.059 176.094 -0.109 0.000 1.039 252 V CA -0.831 61.437 62.300 -0.054 0.000 0.913 252 V CB 0.641 32.493 31.823 0.049 0.000 0.983 252 V HN 0.412 nan 8.190 nan 0.000 0.460 253 H N 2.833 121.928 119.070 0.042 0.000 2.562 253 H HA 0.345 4.901 4.556 0.000 0.000 0.352 253 H C 1.268 176.610 175.328 0.024 0.000 1.125 253 H CA 0.833 56.899 56.048 0.030 0.000 1.379 253 H CB 1.381 31.153 29.762 0.016 0.000 1.464 253 H HN 1.015 nan 8.280 nan 0.000 0.563 254 G N 2.637 111.522 108.800 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 0.079 175.014 174.900 0.058 0.000 1.024 254 G CA -0.154 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 -0.033 121.227 121.223 0.062 0.000 2.326 255 L HA 0.579 4.919 4.340 0.000 0.000 0.278 255 L C 0.464 177.341 176.870 0.012 0.000 1.092 255 L CA -0.821 54.059 54.840 0.067 0.000 0.810 255 L CB 1.576 43.705 42.059 0.116 0.000 1.153 255 L HN -0.043 nan 8.230 nan 0.000 0.439 256 V N 4.953 124.869 119.914 0.005 0.000 2.487 256 V HA 0.430 4.550 4.120 0.000 0.000 0.298 256 V C 0.014 176.049 176.094 -0.097 0.000 1.028 256 V CA -0.485 61.787 62.300 -0.047 0.000 0.860 256 V CB 2.129 33.941 31.823 -0.018 0.000 0.991 256 V HN 0.516 nan 8.190 nan 0.000 0.427 257 L N 3.955 125.059 121.223 -0.197 0.000 2.317 257 L HA 0.809 5.149 4.340 0.000 0.000 0.281 257 L C 0.583 177.317 176.870 -0.226 0.000 1.024 257 L CA -0.323 54.340 54.840 -0.295 0.000 0.810 257 L CB 1.925 43.627 42.059 -0.595 0.000 1.240 257 L HN 0.775 nan 8.230 nan 0.000 0.427 258 G N 1.746 110.437 108.800 -0.181 0.000 2.452 258 G HA2 0.770 4.730 3.960 0.000 0.000 0.324 258 G HA3 0.770 4.730 3.960 0.000 0.000 0.324 258 G C -1.390 173.425 174.900 -0.141 0.000 1.214 258 G CA -0.389 44.628 45.100 -0.138 0.000 0.947 258 G HN 0.735 nan 8.290 nan 0.000 0.478 259 A N 1.158 123.896 122.820 -0.136 0.000 2.488 259 A HA 0.869 5.189 4.320 0.000 0.000 0.298 259 A C -0.455 177.053 177.584 -0.127 0.000 1.044 259 A CA -0.573 51.401 52.037 -0.105 0.000 0.693 259 A CB 1.866 20.806 19.000 -0.100 0.000 1.272 259 A HN 0.788 nan 8.150 nan 0.000 0.402 260 T N 2.416 116.903 114.554 -0.112 0.000 2.886 260 T HA 0.554 4.904 4.350 0.000 0.000 0.292 260 T C -0.589 173.947 174.700 -0.273 0.000 1.012 260 T CA -0.234 61.714 62.100 -0.253 0.000 0.982 260 T CB 1.127 69.766 68.868 -0.381 0.000 1.018 260 T HN 0.509 nan 8.240 nan 0.000 0.451 261 I N 2.995 123.390 120.570 -0.293 0.000 2.359 261 I HA 0.405 4.575 4.170 0.000 0.000 0.294 261 I C -1.074 174.834 176.117 -0.348 0.000 0.987 261 I CA -0.795 60.396 61.300 -0.181 0.000 1.225 261 I CB 1.095 39.107 38.000 0.020 0.000 1.366 261 I HN 0.631 nan 8.210 nan 0.000 0.466 262 Y N 6.239 126.516 120.300 -0.039 0.000 2.364 262 Y HA 0.493 5.043 4.550 0.000 0.000 0.340 262 Y C -0.296 175.583 175.900 -0.034 0.000 0.975 262 Y CA -0.726 57.352 58.100 -0.037 0.000 1.089 262 Y CB 1.548 39.978 38.460 -0.050 0.000 1.192 262 Y HN 0.295 nan 8.280 nan 0.000 0.454 263 L N 5.268 126.561 121.223 0.115 0.000 2.287 263 L HA 0.463 4.803 4.340 0.000 0.000 0.287 263 L C -0.820 176.087 176.870 0.061 0.000 1.022 263 L CA -0.585 54.295 54.840 0.066 0.000 0.814 263 L CB 0.719 42.802 42.059 0.039 0.000 1.217 263 L HN 0.478 nan 8.230 nan 0.000 0.420 264 I N 2.391 122.984 120.570 0.039 0.000 2.392 264 I HA 0.408 4.578 4.170 0.000 0.000 0.295 264 I C 0.897 177.025 176.117 0.019 0.000 0.985 264 I CA -0.226 61.086 61.300 0.019 0.000 1.221 264 I CB 1.436 39.431 38.000 -0.008 0.000 1.366 264 I HN 0.554 nan 8.210 nan 0.000 0.467 265 G N 3.284 112.096 108.800 0.020 0.000 2.562 265 G HA2 0.182 4.142 3.960 0.000 0.000 0.275 265 G HA3 0.182 4.142 3.960 0.000 0.000 0.275 265 G C 0.451 175.398 174.900 0.079 0.000 1.196 265 G CA -0.342 44.789 45.100 0.051 0.000 0.908 265 G HN 0.591 nan 8.290 nan 0.000 0.524 266 F N 0.686 120.618 119.950 -0.031 0.000 2.192 266 F HA -0.167 4.360 4.527 0.000 0.000 0.301 266 F C 2.167 177.881 175.800 -0.144 0.000 1.079 266 F CA 2.046 59.956 58.000 -0.151 0.000 1.303 266 F CB 0.240 39.027 39.000 -0.355 0.000 1.024 266 F HN 0.437 nan 8.300 nan 0.000 0.494 267 D N -1.026 119.367 120.400 -0.013 0.000 2.319 267 D HA 0.152 4.792 4.640 0.000 0.000 0.230 267 D C 1.781 178.053 176.300 -0.046 0.000 1.094 267 D CA 0.681 54.668 54.000 -0.021 0.000 0.856 267 D CB -0.592 40.362 40.800 0.256 0.000 0.915 267 D HN 0.402 nan 8.370 nan 0.000 0.517 268 G N -0.615 108.136 108.800 -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 0.474 175.351 174.900 -0.037 0.000 0.975 268 G CA 0.492 45.548 45.100 -0.073 0.000 0.642 268 G HN 0.512 nan 8.290 nan 0.000 0.536 269 T N 1.681 116.235 114.554 -0.001 0.000 2.910 269 T HA 0.505 4.855 4.350 0.000 0.000 0.293 269 T C 0.710 175.416 174.700 0.010 0.000 1.015 269 T CA 0.627 62.735 62.100 0.013 0.000 1.094 269 T CB 0.837 69.736 68.868 0.051 0.000 0.968 269 T HN 0.196 nan 8.240 nan 0.000 0.521 270 T N 3.615 118.177 114.554 0.014 0.000 2.769 270 T HA 0.150 4.500 4.350 0.000 0.000 0.293 270 T C 1.465 176.192 174.700 0.045 0.000 0.931 270 T CA -0.473 61.655 62.100 0.047 0.000 1.139 270 T CB 0.697 69.618 68.868 0.087 0.000 0.881 270 T HN 0.364 nan 8.240 nan 0.000 0.532 271 V N 4.118 124.054 119.914 0.036 0.000 2.426 271 V HA 0.268 4.388 4.120 0.000 0.000 0.242 271 V C 0.710 176.818 176.094 0.024 0.000 1.036 271 V CA 0.918 63.223 62.300 0.010 0.000 1.044 271 V CB -0.029 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 -0.367 120.227 120.570 0.040 0.000 2.619 272 I HA 0.429 4.599 4.170 0.000 0.000 0.292 272 I C -0.583 175.550 176.117 0.027 0.000 1.100 272 I CA -0.059 61.257 61.300 0.026 0.000 1.043 272 I CB 2.437 40.445 38.000 0.013 0.000 1.239 272 I HN 0.046 nan 8.210 nan 0.000 0.420 273 T N 5.718 120.262 114.554 -0.017 0.000 2.840 273 T HA 0.578 4.928 4.350 0.000 0.000 0.287 273 T C -0.996 173.602 174.700 -0.169 0.000 0.991 273 T CA -0.664 61.353 62.100 -0.138 0.000 0.964 273 T CB 0.696 69.526 68.868 -0.063 0.000 0.954 273 T HN 0.416 nan 8.240 nan 0.000 0.438 274 R N 3.312 123.670 120.500 -0.237 0.000 2.483 274 R HA 0.600 4.940 4.340 0.000 0.000 0.303 274 R C -0.291 175.884 176.300 -0.208 0.000 0.987 274 R CA -0.688 55.312 56.100 -0.168 0.000 0.881 274 R CB 1.543 31.784 30.300 -0.099 0.000 1.177 274 R HN 0.847 nan 8.270 nan 0.000 0.451 275 A N 2.772 125.486 122.820 -0.176 0.000 2.491 275 A HA 0.195 4.515 4.320 0.000 0.000 0.261 275 A C 1.076 178.553 177.584 -0.177 0.000 1.101 275 A CA -0.191 51.743 52.037 -0.172 0.000 0.772 275 A CB 0.377 19.300 19.000 -0.129 0.000 1.043 275 A HN 0.524 nan 8.150 nan 0.000 0.501 276 V N 1.976 121.756 119.914 -0.223 0.000 2.949 276 V HA 0.354 4.474 4.120 0.000 0.000 0.245 276 V C 1.103 177.010 176.094 -0.311 0.000 1.086 276 V CA 1.691 63.795 62.300 -0.326 0.000 1.097 276 V CB -0.122 31.377 31.823 -0.539 0.000 0.762 276 V HN 1.189 nan 8.190 nan 0.000 0.470 277 A N -0.261 122.413 122.820 -0.244 0.000 2.485 277 A HA 0.820 5.140 4.320 0.000 0.000 0.285 277 A C -0.714 176.773 177.584 -0.161 0.000 1.045 277 A CA 0.209 52.127 52.037 -0.198 0.000 0.792 277 A CB 1.058 19.928 19.000 -0.217 0.000 1.307 277 A HN 0.412 nan 8.150 nan 0.000 0.406 278 A N 2.268 125.013 122.820 -0.126 0.000 2.337 278 A HA 0.789 5.109 4.320 0.000 0.000 0.331 278 A C 0.341 177.870 177.584 -0.091 0.000 1.137 278 A CA -0.119 51.857 52.037 -0.101 0.000 0.807 278 A CB 0.316 19.269 19.000 -0.080 0.000 1.250 278 A HN 2.299 nan 8.150 nan 0.000 0.468 279 N N 1.011 119.663 118.700 -0.079 0.000 2.558 279 N HA -0.225 4.515 4.740 0.000 0.000 0.302 279 N C -0.903 174.559 175.510 -0.079 0.000 1.322 279 N CA 1.035 54.045 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 0.776 nan 8.380 nan 0.000 0.524 280 N N 2.522 121.163 118.700 -0.099 0.000 2.621 280 N HA 0.310 5.050 4.740 0.000 0.000 0.271 280 N C -0.374 175.067 175.510 -0.114 0.000 1.181 280 N CA 0.147 53.129 53.050 -0.113 0.000 0.805 280 N CB 1.017 39.408 38.487 -0.159 0.000 1.351 280 N HN 0.581 nan 8.380 nan 0.000 0.539 281 G N 2.365 111.123 108.800 -0.070 0.000 2.398 281 G HA2 0.365 4.325 3.960 0.000 0.000 0.246 281 G HA3 0.365 4.325 3.960 0.000 0.000 0.246 281 G C -0.019 174.848 174.900 -0.054 0.000 1.289 281 G CA -0.118 44.953 45.100 -0.049 0.000 0.869 281 G HN 0.541 nan 8.290 nan 0.000 0.543 282 L N 1.912 123.108 121.223 -0.044 0.000 2.295 282 L HA 0.347 4.687 4.340 0.000 0.000 0.285 282 L C 0.435 177.311 176.870 0.009 0.000 1.035 282 L CA -0.699 54.123 54.840 -0.029 0.000 0.806 282 L CB 1.724 43.760 42.059 -0.039 0.000 1.214 282 L HN 0.392 nan 8.230 nan 0.000 0.426 283 T N 0.689 115.254 114.554 0.018 0.000 2.882 283 T HA 0.221 4.571 4.350 0.000 0.000 0.287 283 T C 0.326 175.034 174.700 0.013 0.000 0.992 283 T CA -0.459 61.659 62.100 0.030 0.000 1.076 283 T CB 1.266 70.156 68.868 0.036 0.000 0.961 283 T HN 0.484 nan 8.240 nan 0.000 0.490 284 T N 2.267 116.811 114.554 -0.017 0.000 2.919 284 T HA 0.420 4.770 4.350 0.000 0.000 0.302 284 T C 1.440 176.137 174.700 -0.005 0.000 1.031 284 T CA 0.689 62.745 62.100 -0.074 0.000 1.127 284 T CB 0.448 69.172 68.868 -0.241 0.000 0.952 284 T HN 1.006 nan 8.240 nan 0.000 0.540 285 G N 2.835 111.636 108.800 0.002 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 0.201 175.119 174.900 0.030 0.000 1.012 285 G CA 0.386 45.498 45.100 0.021 0.000 0.749 285 G HN 0.913 nan 8.290 nan 0.000 0.512 286 T N -0.226 114.350 114.554 0.036 0.000 2.883 286 T HA 0.489 4.839 4.350 0.000 0.000 0.301 286 T C -0.887 173.843 174.700 0.050 0.000 1.158 286 T CA -0.846 61.277 62.100 0.039 0.000 1.007 286 T CB 1.874 70.763 68.868 0.036 0.000 1.186 286 T HN 0.073 nan 8.240 nan 0.000 0.499 287 D N 2.213 122.640 120.400 0.046 0.000 2.425 287 D HA 0.174 4.814 4.640 0.000 0.000 0.247 287 D C -0.316 176.022 176.300 0.063 0.000 1.147 287 D CA 0.306 54.339 54.000 0.054 0.000 0.879 287 D CB 0.349 41.173 40.800 0.040 0.000 1.179 287 D HN 0.379 nan 8.370 nan 0.000 0.456 288 N N 1.693 120.451 118.700 0.095 0.000 2.476 288 N HA 0.281 5.021 4.740 0.000 0.000 0.257 288 N C -0.598 174.996 175.510 0.140 0.000 0.970 288 N CA -0.478 52.632 53.050 0.099 0.000 0.938 288 N CB 1.282 39.825 38.487 0.093 0.000 1.144 288 N HN 0.163 nan 8.380 nan 0.000 0.500 289 L N 1.730 123.007 121.223 0.090 0.000 2.326 289 L HA 0.460 4.800 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 -0.172 54.725 54.840 0.095 0.000 0.810 289 L CB 0.904 42.998 42.059 0.058 0.000 1.153 289 L HN 0.465 nan 8.230 nan 0.000 0.439 290 M N 5.611 125.302 119.600 0.152 0.000 1.987 290 M HA 0.397 4.877 4.480 0.000 0.000 0.298 290 M C -2.617 173.756 176.300 0.121 0.000 0.892 290 M CA -1.610 53.757 55.300 0.111 0.000 0.885 290 M CB 1.596 34.334 32.600 0.230 0.000 1.469 290 M HN 0.197 nan 8.290 nan 0.000 0.389 291 P HA 0.322 nan 4.420 nan 0.000 0.276 291 P C -1.355 175.953 177.300 0.013 0.000 1.244 291 P CA -0.036 63.130 63.100 0.109 0.000 0.801 291 P CB 0.503 32.231 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 0.782 176.594 175.800 0.021 0.000 1.125 292 F CA -0.139 57.875 58.000 0.024 0.000 0.989 292 F CB 0.976 39.998 39.000 0.037 0.000 1.165 292 F HN 0.128 nan 8.300 nan 0.000 0.442 293 N N 5.339 124.099 118.700 0.101 0.000 2.679 293 N HA 0.247 4.987 4.740 0.000 0.000 0.302 293 N C -1.123 174.424 175.510 0.062 0.000 1.941 293 N CA -0.052 53.043 53.050 0.075 0.000 0.875 293 N CB 1.116 39.623 38.487 0.033 0.000 1.278 293 N HN 0.435 nan 8.380 nan 0.000 0.490 294 L N 0.916 122.197 121.223 0.096 0.000 2.289 294 L HA 0.543 4.883 4.340 0.000 0.000 0.285 294 L C -0.037 176.881 176.870 0.080 0.000 1.049 294 L CA -0.786 54.099 54.840 0.074 0.000 0.804 294 L CB 1.738 43.853 42.059 0.093 0.000 1.195 294 L HN -0.206 nan 8.230 nan 0.000 0.428 295 V N 4.818 124.771 119.914 0.065 0.000 2.444 295 V HA 0.394 4.514 4.120 0.000 0.000 0.294 295 V C -0.255 175.877 176.094 0.064 0.000 1.022 295 V CA -0.376 61.972 62.300 0.081 0.000 0.850 295 V CB 2.123 33.991 31.823 0.076 0.000 0.992 295 V HN 0.461 nan 8.190 nan 0.000 0.426 296 I N 8.523 129.138 120.570 0.075 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 -1.870 59.464 61.300 0.057 0.000 1.195 296 I CB 1.949 39.977 38.000 0.047 0.000 1.350 296 I HN 0.439 nan 8.210 nan 0.000 0.464 297 P HA 0.140 nan 4.420 nan 0.000 0.274 297 P C 0.645 177.970 177.300 0.042 0.000 1.231 297 P CA -0.231 62.896 63.100 0.045 0.000 0.790 297 P CB 0.805 32.522 31.700 0.028 0.000 0.951 298 T N 1.053 115.634 114.554 0.044 0.000 2.653 298 T HA -0.199 4.151 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 2.118 64.242 62.100 0.039 0.000 1.154 298 T CB -0.913 67.980 68.868 0.043 0.000 0.862 298 T HN 0.646 nan 8.240 nan 0.000 0.441 299 N N 1.362 120.076 118.700 0.023 0.000 2.443 299 N HA -0.152 4.588 4.740 0.000 0.000 0.184 299 N C 1.395 176.915 175.510 0.017 0.000 1.037 299 N CA 1.000 54.062 53.050 0.020 0.000 0.896 299 N CB -0.212 38.287 38.487 0.019 0.000 0.959 299 N HN 0.510 nan 8.380 nan 0.000 0.442 300 E N 0.197 120.406 120.200 0.016 0.000 2.371 300 E HA 0.153 4.503 4.350 0.000 0.000 0.194 300 E C 0.173 176.775 176.600 0.003 0.000 1.012 300 E CA 0.095 56.502 56.400 0.011 0.000 0.860 300 E CB 0.208 29.915 29.700 0.013 0.000 0.811 300 E HN 0.440 nan 8.360 nan 0.000 0.502 301 I N 2.355 122.924 120.570 -0.001 0.000 2.260 301 I HA -0.024 4.146 4.170 0.000 0.000 0.297 301 I C 1.400 177.489 176.117 -0.045 0.000 1.143 301 I CA -0.058 61.229 61.300 -0.021 0.000 1.271 301 I CB 0.715 38.707 38.000 -0.013 0.000 1.461 301 I HN 0.035 nan 8.210 nan 0.000 0.530 302 T N 1.603 116.116 114.554 -0.068 0.000 3.055 302 T HA -0.004 4.346 4.350 0.000 0.000 0.265 302 T C 0.524 175.066 174.700 -0.264 0.000 1.111 302 T CA 0.296 62.346 62.100 -0.082 0.000 1.118 302 T CB -0.074 68.772 68.868 -0.037 0.000 0.909 302 T HN 0.693 nan 8.240 nan 0.000 0.501 303 Q N -0.571 119.011 119.800 -0.362 0.000 2.522 303 Q HA 0.551 4.891 4.340 0.000 0.000 0.285 303 Q C -3.480 172.394 176.000 -0.210 0.000 0.982 303 Q CA -2.571 52.889 55.803 -0.571 0.000 0.805 303 Q CB 0.822 28.744 28.738 -1.360 0.000 1.457 303 Q HN -0.121 nan 8.270 nan 0.000 0.394 304 P HA -0.019 nan 4.420 nan 0.000 0.261 304 P C -0.592 176.738 177.300 0.051 0.000 1.173 304 P CA 0.217 63.342 63.100 0.041 0.000 0.760 304 P CB 0.251 32.065 31.700 0.191 0.000 0.783 305 I N 3.146 123.737 120.570 0.036 0.000 2.441 305 I HA 0.074 4.244 4.170 0.000 0.000 0.287 305 I C 1.532 177.689 176.117 0.066 0.000 1.049 305 I CA 0.675 62.000 61.300 0.040 0.000 1.381 305 I CB 0.410 38.425 38.000 0.025 0.000 1.409 305 I HN 0.350 nan 8.210 nan 0.000 0.523 306 T N 3.292 117.884 114.554 0.063 0.000 2.955 306 T HA 0.130 4.480 4.350 0.000 0.000 0.251 306 T C 0.443 175.152 174.700 0.015 0.000 1.002 306 T CA 0.291 62.435 62.100 0.073 0.000 0.970 306 T CB 0.358 69.305 68.868 0.131 0.000 1.091 306 T HN 0.805 nan 8.240 nan 0.000 0.495 307 S N 0.099 115.797 115.700 -0.004 0.000 2.588 307 S HA 0.720 5.190 4.470 0.000 0.000 0.269 307 S C -1.489 173.104 174.600 -0.012 0.000 1.157 307 S CA -0.943 57.242 58.200 -0.026 0.000 0.824 307 S CB 1.843 65.030 63.200 -0.022 0.000 1.126 307 S HN 0.272 nan 8.310 nan 0.000 0.464 308 I N 1.217 121.784 120.570 -0.004 0.000 2.545 308 I HA 0.711 4.881 4.170 0.000 0.000 0.292 308 I C -1.333 174.772 176.117 -0.019 0.000 1.040 308 I CA -0.701 60.612 61.300 0.022 0.000 1.068 308 I CB 1.746 39.780 38.000 0.057 0.000 1.251 308 I HN 1.016 nan 8.210 nan 0.000 0.424 309 K N 6.356 126.708 120.400 -0.080 0.000 2.477 309 K HA 0.659 4.979 4.320 0.000 0.000 0.255 309 K C -2.025 174.399 176.600 -0.294 0.000 0.952 309 K CA -0.967 55.149 56.287 -0.285 0.000 0.826 309 K CB 2.441 34.845 32.500 -0.159 0.000 1.331 309 K HN 0.467 nan 8.250 nan 0.000 0.437 310 L N 1.106 121.973 121.223 -0.595 0.000 2.349 310 L HA 0.436 4.776 4.340 0.000 0.000 0.278 310 L C -1.185 175.621 176.870 -0.107 0.000 0.996 310 L CA -0.002 54.660 54.840 -0.296 0.000 0.825 310 L CB 1.764 43.606 42.059 -0.362 0.000 1.243 310 L HN 0.777 nan 8.230 nan 0.000 0.412 311 E N 5.153 125.393 120.200 0.066 0.000 2.214 311 E HA 0.572 4.922 4.350 0.000 0.000 0.274 311 E C -1.136 175.510 176.600 0.076 0.000 0.977 311 E CA -0.610 55.851 56.400 0.101 0.000 0.827 311 E CB 2.325 32.150 29.700 0.208 0.000 1.130 311 E HN 0.541 nan 8.360 nan 0.000 0.394 312 I N 2.268 122.884 120.570 0.077 0.000 2.466 312 I HA 0.260 4.430 4.170 0.000 0.000 0.289 312 I C -0.784 175.346 176.117 0.022 0.000 1.026 312 I CA -1.007 60.310 61.300 0.029 0.000 1.078 312 I CB 1.904 39.934 38.000 0.050 0.000 1.249 312 I HN 0.171 nan 8.210 nan 0.000 0.429 313 V N 4.213 124.114 119.914 -0.022 0.000 2.427 313 V HA 0.489 4.609 4.120 0.000 0.000 0.286 313 V C 0.027 176.107 176.094 -0.023 0.000 1.034 313 V CA -0.402 61.898 62.300 -0.000 0.000 0.893 313 V CB 1.480 33.305 31.823 0.003 0.000 0.982 313 V HN 0.731 nan 8.190 nan 0.000 0.452 314 T N 3.682 118.262 114.554 0.042 0.000 2.809 314 T HA 0.656 5.006 4.350 0.000 0.000 0.284 314 T C -0.135 174.653 174.700 0.148 0.000 0.992 314 T CA -0.519 61.639 62.100 0.098 0.000 0.957 314 T CB 1.389 70.377 68.868 0.200 0.000 0.942 314 T HN 0.930 nan 8.240 nan 0.000 0.439 315 S N 2.621 118.399 115.700 0.131 0.000 2.627 315 S HA 0.782 5.252 4.470 0.000 0.000 0.283 315 S C -1.211 173.497 174.600 0.180 0.000 1.127 315 S CA -1.131 57.178 58.200 0.181 0.000 0.863 315 S CB 2.343 65.624 63.200 0.134 0.000 1.121 315 S HN 0.558 nan 8.310 nan 0.000 0.479 316 K N 0.184 120.722 120.400 0.230 0.000 2.316 316 K HA 0.565 4.885 4.320 0.000 0.000 0.251 316 K C 0.666 177.288 176.600 0.037 0.000 0.934 316 K CA -0.659 55.685 56.287 0.095 0.000 0.802 316 K CB 1.824 34.327 32.500 0.004 0.000 1.171 316 K HN 0.643 nan 8.250 nan 0.000 0.426 317 S N 1.263 116.968 115.700 0.008 0.000 2.354 317 S HA -0.169 4.301 4.470 0.000 0.000 0.219 317 S C 1.526 176.097 174.600 -0.049 0.000 1.035 317 S CA 1.620 59.818 58.200 -0.004 0.000 1.037 317 S CB -0.372 62.828 63.200 -0.001 0.000 0.956 317 S HN 0.891 nan 8.310 nan 0.000 0.428 318 G N 0.542 109.284 108.800 -0.096 0.000 2.707 318 G HA2 0.375 4.335 3.960 0.000 0.000 0.204 318 G HA3 0.375 4.335 3.960 0.000 0.000 0.204 318 G C 0.577 175.299 174.900 -0.297 0.000 1.435 318 G CA 0.429 45.444 45.100 -0.141 0.000 0.890 318 G HN 1.309 nan 8.290 nan 0.000 0.552 319 G N -2.428 106.072 108.800 -0.501 0.000 2.788 319 G HA2 0.299 4.259 3.960 0.000 0.000 0.686 319 G HA3 0.299 4.259 3.960 0.000 0.000 0.686 319 G C -0.765 173.840 174.900 -0.492 0.000 1.147 319 G CA 0.168 44.589 45.100 -1.132 0.000 0.755 319 G HN 0.720 nan 8.290 nan 0.000 0.634 320 Q N -0.505 119.123 119.800 -0.286 0.000 2.870 320 Q HA 0.795 5.135 4.340 0.000 0.000 0.366 320 Q C 1.496 177.617 176.000 0.202 0.000 0.738 320 Q CA 0.049 55.868 55.803 0.028 0.000 0.870 320 Q CB 0.622 29.350 28.738 -0.016 0.000 1.237 320 Q HN 1.483 nan 8.270 nan 0.000 0.497 321 A N 0.398 123.288 122.820 0.117 0.000 1.889 321 A HA 0.226 4.546 4.320 0.000 0.000 0.209 321 A C 0.856 178.508 177.584 0.114 0.000 1.315 321 A CA 1.471 53.572 52.037 0.108 0.000 0.611 321 A CB -1.266 17.769 19.000 0.059 0.000 0.950 321 A HN 0.510 nan 8.150 nan 0.000 0.477 322 G N -0.976 107.865 108.800 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 -0.570 174.363 174.900 0.054 0.000 1.094 322 G CA -0.047 45.088 45.100 0.057 0.000 0.953 322 G HN 0.324 nan 8.290 nan 0.000 0.420 323 D N 0.633 121.080 120.400 0.078 0.000 2.473 323 D HA 0.036 4.676 4.640 0.000 0.000 0.242 323 D C 0.348 176.679 176.300 0.052 0.000 1.106 323 D CA 0.189 54.223 54.000 0.058 0.000 0.854 323 D CB 0.352 41.183 40.800 0.052 0.000 1.192 323 D HN 0.342 nan 8.370 nan 0.000 0.503 324 Q N 0.776 120.607 119.800 0.051 0.000 2.499 324 Q HA -0.185 4.155 4.340 0.000 0.000 0.262 324 Q C -0.345 175.676 176.000 0.034 0.000 1.328 324 Q CA 0.778 56.587 55.803 0.011 0.000 0.794 324 Q CB -1.431 27.296 28.738 -0.019 0.000 0.888 324 Q HN 0.445 nan 8.270 nan 0.000 0.305 325 M N 1.022 120.660 119.600 0.063 0.000 2.157 325 M HA 0.540 5.020 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 -0.433 54.953 55.300 0.143 0.000 1.060 325 M CB 1.797 34.567 32.600 0.283 0.000 1.615 325 M HN 0.484 nan 8.290 nan 0.000 0.460 326 S N 3.039 118.808 115.700 0.115 0.000 2.541 326 S HA 0.865 5.335 4.470 0.000 0.000 0.280 326 S C -1.457 173.277 174.600 0.223 0.000 1.112 326 S CA -0.838 57.387 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 0.192 121.677 121.300 0.308 0.000 3.118 327 W HA 0.722 5.382 4.660 -0.000 0.000 0.328 327 W C -1.221 175.430 176.519 0.221 0.000 1.239 327 W CA -0.876 56.615 57.345 0.244 0.000 1.176 327 W CB 1.254 30.876 29.460 0.269 0.000 1.433 327 W HN 0.707 nan 8.180 nan 0.000 0.562 328 S N 1.055 117.112 115.700 0.596 0.000 2.509 328 S HA 0.807 5.277 4.470 0.000 0.000 0.297 328 S C -0.724 174.154 174.600 0.462 0.000 1.118 328 S CA -0.225 58.224 58.200 0.414 0.000 1.074 328 S CB 1.005 64.324 63.200 0.199 0.000 1.038 328 S HN 0.832 nan 8.310 nan 0.000 0.498 329 A N 4.460 127.500 122.820 0.366 0.000 2.414 329 A HA 0.871 5.191 4.320 0.000 0.000 0.306 329 A C -0.606 176.964 177.584 -0.024 0.000 1.054 329 A CA -0.782 51.236 52.037 -0.031 0.000 0.724 329 A CB 1.446 20.402 19.000 -0.075 0.000 1.267 329 A HN 0.745 nan 8.150 nan 0.000 0.418 330 R N 0.764 121.161 120.500 -0.171 0.000 2.651 330 R HA 0.682 5.022 4.340 0.000 0.000 0.278 330 R C -0.585 175.640 176.300 -0.125 0.000 1.010 330 R CA 0.336 56.385 56.100 -0.085 0.000 0.896 330 R CB 2.195 32.468 30.300 -0.045 0.000 1.211 330 R HN 2.075 nan 8.270 nan 0.000 0.456 331 G N 0.917 109.664 108.800 -0.089 0.000 2.333 331 G HA2 0.095 4.055 3.960 0.000 0.000 0.330 331 G HA3 0.095 4.055 3.960 0.000 0.000 0.330 331 G C -1.717 173.113 174.900 -0.117 0.000 1.465 331 G CA -0.640 44.405 45.100 -0.092 0.000 0.996 331 G HN 0.567 nan 8.290 nan 0.000 0.655 332 S N -0.541 115.087 115.700 -0.121 0.000 2.566 332 S HA 0.883 5.353 4.470 0.000 0.000 0.298 332 S C -0.279 174.205 174.600 -0.194 0.000 1.083 332 S CA -0.961 57.139 58.200 -0.167 0.000 0.978 332 S CB 2.088 65.209 63.200 -0.132 0.000 1.073 332 S HN 0.768 nan 8.310 nan 0.000 0.491 333 L N 0.905 121.974 121.223 -0.256 0.000 2.319 333 L HA 0.885 5.225 4.340 0.000 0.000 0.267 333 L C -0.268 176.512 176.870 -0.150 0.000 1.011 333 L CA -1.130 53.552 54.840 -0.263 0.000 0.818 333 L CB 1.788 43.606 42.059 -0.401 0.000 1.316 333 L HN 0.846 nan 8.230 nan 0.000 0.432 334 A N 1.673 124.441 122.820 -0.087 0.000 2.330 334 A HA 0.718 5.038 4.320 0.000 0.000 0.313 334 A C -0.890 176.700 177.584 0.009 0.000 1.124 334 A CA -0.471 51.550 52.037 -0.028 0.000 0.774 334 A CB 1.488 20.478 19.000 -0.017 0.000 1.198 334 A HN 0.369 nan 8.150 nan 0.000 0.465 335 V N 2.833 122.783 119.914 0.060 0.000 2.328 335 V HA 0.403 4.523 4.120 0.000 0.000 0.278 335 V C 0.112 176.255 176.094 0.082 0.000 1.021 335 V CA -0.220 62.136 62.300 0.093 0.000 0.838 335 V CB 1.175 33.088 31.823 0.150 0.000 0.999 335 V HN 0.870 nan 8.190 nan 0.000 0.447 336 T N 7.026 121.568 114.554 -0.019 0.000 2.743 336 T HA 0.484 4.834 4.350 0.000 0.000 0.292 336 T C -0.025 174.529 174.700 -0.244 0.000 0.972 336 T CA -0.151 61.878 62.100 -0.119 0.000 0.967 336 T CB 0.653 69.432 68.868 -0.149 0.000 0.926 336 T HN 0.616 nan 8.240 nan 0.000 0.459 337 I N 1.855 122.336 120.570 -0.148 0.000 2.312 337 I HA 0.406 4.576 4.170 0.000 0.000 0.290 337 I C -0.246 175.788 176.117 -0.139 0.000 1.008 337 I CA -0.801 60.408 61.300 -0.151 0.000 1.226 337 I CB 0.681 38.697 38.000 0.027 0.000 1.371 337 I HN 0.546 nan 8.210 nan 0.000 0.468 338 H N 5.361 124.457 119.070 0.043 0.000 2.886 338 H HA 0.130 4.686 4.556 0.000 0.000 0.329 338 H C 1.479 176.819 175.328 0.020 0.000 1.044 338 H CA 1.061 57.125 56.048 0.027 0.000 1.456 338 H CB 0.853 30.628 29.762 0.021 0.000 1.464 338 H HN 1.026 nan 8.280 nan 0.000 0.573 339 G N 2.682 111.562 108.800 0.134 0.000 2.180 339 G HA2 -0.355 3.605 3.960 0.000 0.000 0.263 339 G HA3 -0.355 3.605 3.960 0.000 0.000 0.263 339 G C 1.551 176.501 174.900 0.085 0.000 0.989 339 G CA 0.838 45.986 45.100 0.080 0.000 0.692 339 G HN 0.868 nan 8.290 nan 0.000 0.526 340 G N 0.116 108.955 108.800 0.065 0.000 2.432 340 G HA2 -0.186 3.774 3.960 0.000 0.000 0.219 340 G HA3 -0.186 3.774 3.960 0.000 0.000 0.219 340 G C 1.327 176.259 174.900 0.053 0.000 1.135 340 G CA 1.295 46.428 45.100 0.056 0.000 0.767 340 G HN 0.518 nan 8.290 nan 0.000 0.550 341 N N -0.851 117.873 118.700 0.041 0.000 2.336 341 N HA 0.062 4.802 4.740 0.000 0.000 0.189 341 N C -0.282 175.256 175.510 0.047 0.000 1.113 341 N CA -0.475 52.586 53.050 0.019 0.000 0.858 341 N CB -0.113 38.362 38.487 -0.020 0.000 0.970 341 N HN 0.430 nan 8.380 nan 0.000 0.471 342 Y N 2.695 122.977 120.300 -0.029 0.000 2.605 342 Y HA 0.142 4.692 4.550 0.000 0.000 0.336 342 Y C -2.103 173.772 175.900 -0.041 0.000 1.111 342 Y CA -2.009 56.069 58.100 -0.037 0.000 1.422 342 Y CB 0.500 38.931 38.460 -0.050 0.000 1.193 342 Y HN 0.004 nan 8.280 nan 0.000 0.526 343 P HA 0.079 nan 4.420 nan 0.000 0.260 343 P C 0.523 177.747 177.300 -0.126 0.000 1.185 343 P CA 1.946 64.898 63.100 -0.246 0.000 0.763 343 P CB 0.486 31.989 31.700 -0.328 0.000 0.776 344 G N 3.277 112.094 108.800 0.028 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 1.208 176.226 174.900 0.196 0.000 1.023 344 G CA 0.329 45.507 45.100 0.129 0.000 0.626 344 G HN 0.610 nan 8.290 nan 0.000 0.503 345 A N -0.205 122.714 122.820 0.165 0.000 1.969 345 A HA 0.538 4.858 4.320 0.000 0.000 0.218 345 A C 2.185 179.891 177.584 0.204 0.000 1.169 345 A CA 2.043 54.140 52.037 0.099 0.000 0.635 345 A CB -0.197 18.840 19.000 0.062 0.000 0.810 345 A HN 0.979 nan 8.150 nan 0.000 0.445 346 L N -3.783 117.543 121.223 0.171 0.000 3.316 346 L HA 0.203 4.543 4.340 0.000 0.000 0.300 346 L C 2.054 179.053 176.870 0.214 0.000 1.128 346 L CA 0.198 55.136 54.840 0.164 0.000 1.111 346 L CB 0.068 42.204 42.059 0.129 0.000 1.687 346 L HN 0.295 nan 8.230 nan 0.000 0.594 347 R N 1.736 122.331 120.500 0.159 0.000 2.072 347 R HA 0.080 4.420 4.340 0.000 0.000 0.221 347 R C -1.769 174.597 176.300 0.109 0.000 1.166 347 R CA 0.688 56.847 56.100 0.098 0.000 0.917 347 R CB -0.904 29.409 30.300 0.021 0.000 0.815 347 R HN 0.019 nan 8.270 nan 0.000 0.444 348 P HA 0.122 nan 4.420 nan 0.000 0.275 348 P C -1.300 176.113 177.300 0.189 0.000 1.227 348 P CA 0.144 63.293 63.100 0.081 0.000 0.781 348 P CB 1.505 33.231 31.700 0.043 0.000 0.906 349 V N 3.300 123.331 119.914 0.194 0.000 2.588 349 V HA 0.389 4.509 4.120 0.000 0.000 0.304 349 V C 0.079 176.249 176.094 0.127 0.000 1.042 349 V CA -0.289 62.118 62.300 0.180 0.000 0.877 349 V CB 2.248 34.197 31.823 0.210 0.000 0.996 349 V HN 0.468 nan 8.190 nan 0.000 0.425 350 T N 6.027 120.628 114.554 0.079 0.000 2.770 350 T HA 0.630 4.980 4.350 0.000 0.000 0.283 350 T C -0.618 174.114 174.700 0.053 0.000 0.988 350 T CA -0.280 61.876 62.100 0.093 0.000 0.957 350 T CB 0.919 69.865 68.868 0.130 0.000 0.930 350 T HN 0.233 nan 8.240 nan 0.000 0.443 351 L N 4.097 125.325 121.223 0.008 0.000 2.282 351 L HA 0.557 4.897 4.340 0.000 0.000 0.288 351 L C -0.356 176.520 176.870 0.011 0.000 1.033 351 L CA -0.424 54.383 54.840 -0.056 0.000 0.807 351 L CB 1.690 43.683 42.059 -0.110 0.000 1.209 351 L HN 0.383 nan 8.230 nan 0.000 0.423 352 V N 3.412 123.342 119.914 0.026 0.000 2.326 352 V HA 0.750 4.870 4.120 0.000 0.000 0.281 352 V C 0.082 176.254 176.094 0.130 0.000 1.015 352 V CA -0.671 61.693 62.300 0.107 0.000 0.823 352 V CB 1.272 33.221 31.823 0.210 0.000 1.009 352 V HN 0.828 nan 8.190 nan 0.000 0.436 353 A N 5.565 128.459 122.820 0.122 0.000 2.317 353 A HA 0.915 5.235 4.320 0.000 0.000 0.327 353 A C -0.898 176.920 177.584 0.391 0.000 1.178 353 A CA -0.481 51.664 52.037 0.180 0.000 0.817 353 A CB 0.845 19.925 19.000 0.135 0.000 1.189 353 A HN 0.980 nan 8.150 nan 0.000 0.489 354 Y N -0.019 120.476 120.300 0.325 0.000 2.524 354 Y HA 0.795 5.345 4.550 0.000 0.000 0.344 354 Y C -0.312 175.654 175.900 0.110 0.000 1.012 354 Y CA -0.945 57.315 58.100 0.266 0.000 1.068 354 Y CB 1.362 39.916 38.460 0.156 0.000 1.249 354 Y HN 0.851 nan 8.280 nan 0.000 0.468 355 E N 0.799 121.012 120.200 0.022 0.000 2.412 355 E HA 0.565 4.915 4.350 0.000 0.000 0.279 355 E C -0.559 175.993 176.600 -0.080 0.000 0.984 355 E CA -1.286 55.008 56.400 -0.176 0.000 0.788 355 E CB 1.520 30.881 29.700 -0.565 0.000 1.277 355 E HN 0.580 nan 8.360 nan 0.000 0.455 356 R N -0.898 119.568 120.500 -0.058 0.000 3.989 356 R HA -0.102 4.238 4.340 0.000 0.000 0.377 356 R C -0.445 175.870 176.300 0.024 0.000 1.158 356 R CA 0.855 56.938 56.100 -0.028 0.000 1.035 356 R CB -2.820 27.445 30.300 -0.058 0.000 1.557 356 R HN 0.484 nan 8.270 nan 0.000 0.551 357 V N 1.410 121.373 119.914 0.082 0.000 2.614 357 V HA 0.437 4.557 4.120 0.000 0.000 0.291 357 V C 1.450 177.579 176.094 0.058 0.000 1.049 357 V CA -0.039 62.307 62.300 0.077 0.000 1.038 357 V CB 1.532 33.420 31.823 0.108 0.000 0.980 357 V HN 0.365 nan 8.190 nan 0.000 0.481 358 A N 3.868 126.707 122.820 0.031 0.000 2.511 358 A HA 0.323 4.643 4.320 0.000 0.000 0.242 358 A C 0.766 178.368 177.584 0.031 0.000 1.069 358 A CA -0.004 52.048 52.037 0.024 0.000 0.763 358 A CB -0.301 18.707 19.000 0.013 0.000 1.001 358 A HN 0.865 nan 8.150 nan 0.000 0.498 359 T N 1.867 116.440 114.554 0.032 0.000 2.908 359 T HA 0.401 4.751 4.350 0.000 0.000 0.301 359 T C 1.541 176.257 174.700 0.026 0.000 1.019 359 T CA 1.618 63.739 62.100 0.036 0.000 1.152 359 T CB 0.404 69.288 68.868 0.027 0.000 0.966 359 T HN 2.025 nan 8.240 nan 0.000 0.540 360 G N 2.718 111.536 108.800 0.030 0.000 2.175 360 G HA2 -0.275 3.685 3.960 0.000 0.000 0.244 360 G HA3 -0.275 3.685 3.960 0.000 0.000 0.244 360 G C 0.376 175.282 174.900 0.009 0.000 0.982 360 G CA 0.110 45.221 45.100 0.019 0.000 0.641 360 G HN 1.131 nan 8.290 nan 0.000 0.527 361 S N -0.703 114.999 115.700 0.004 0.000 2.632 361 S HA 0.720 5.190 4.470 0.000 0.000 0.267 361 S C 0.144 174.724 174.600 -0.034 0.000 1.276 361 S CA -0.270 57.922 58.200 -0.014 0.000 0.998 361 S CB 2.494 65.684 63.200 -0.017 0.000 0.953 361 S HN 0.983 nan 8.310 nan 0.000 0.547 362 V N 1.899 121.786 119.914 -0.046 0.000 2.394 362 V HA 0.353 4.473 4.120 0.000 0.000 0.282 362 V C -0.267 175.764 176.094 -0.106 0.000 1.031 362 V CA -0.755 61.508 62.300 -0.063 0.000 0.881 362 V CB 1.299 33.099 31.823 -0.039 0.000 0.982 362 V HN 0.775 nan 8.190 nan 0.000 0.451 363 V N 4.610 124.423 119.914 -0.170 0.000 2.364 363 V HA 0.313 4.433 4.120 0.000 0.000 0.272 363 V C 0.474 176.484 176.094 -0.139 0.000 1.036 363 V CA -0.085 62.082 62.300 -0.221 0.000 0.880 363 V CB 1.650 33.206 31.823 -0.445 0.000 0.991 363 V HN 0.969 nan 8.190 nan 0.000 0.460 364 T N 5.277 119.786 114.554 -0.076 0.000 2.767 364 T HA 0.535 4.885 4.350 0.000 0.000 0.284 364 T C -0.238 174.471 174.700 0.015 0.000 0.973 364 T CA -0.272 61.814 62.100 -0.022 0.000 0.996 364 T CB 1.423 70.282 68.868 -0.014 0.000 0.927 364 T HN 0.333 nan 8.240 nan 0.000 0.456 365 V N 2.647 122.600 119.914 0.066 0.000 2.459 365 V HA 0.837 4.957 4.120 0.000 0.000 0.295 365 V C -0.098 176.063 176.094 0.112 0.000 1.029 365 V CA -0.818 61.559 62.300 0.129 0.000 0.874 365 V CB 1.423 33.383 31.823 0.230 0.000 0.985 365 V HN 1.069 nan 8.190 nan 0.000 0.438 366 A N 3.393 126.257 122.820 0.073 0.000 2.427 366 A HA 0.970 5.290 4.320 0.000 0.000 0.298 366 A C -0.171 177.422 177.584 0.016 0.000 1.036 366 A CA -0.008 52.054 52.037 0.041 0.000 0.701 366 A CB 1.886 20.896 19.000 0.016 0.000 1.250 366 A HN 1.211 nan 8.150 nan 0.000 0.412 367 G N -0.319 108.495 108.800 0.022 0.000 2.695 367 G HA2 0.638 4.598 3.960 0.000 0.000 0.290 367 G HA3 0.638 4.598 3.960 0.000 0.000 0.290 367 G C -1.780 173.125 174.900 0.008 0.000 1.410 367 G CA -0.561 44.531 45.100 -0.013 0.000 0.844 367 G HN 1.129 nan 8.290 nan 0.000 0.478 368 V N 0.267 120.172 119.914 -0.015 0.000 2.638 368 V HA 0.686 4.806 4.120 0.000 0.000 0.306 368 V C -0.262 175.814 176.094 -0.030 0.000 1.052 368 V CA -0.710 61.592 62.300 0.002 0.000 0.885 368 V CB 1.911 33.733 31.823 -0.000 0.000 0.999 368 V HN 0.758 nan 8.190 nan 0.000 0.424 369 S N 4.102 119.794 115.700 -0.014 0.000 2.482 369 S HA 0.582 5.052 4.470 0.000 0.000 0.303 369 S C -0.642 173.767 174.600 -0.319 0.000 1.091 369 S CA -0.811 57.283 58.200 -0.176 0.000 1.057 369 S CB 1.187 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 1.698 120.083 118.700 -0.526 0.000 2.321 370 N HA 0.610 5.350 4.740 0.000 0.000 0.299 370 N C -1.500 173.647 175.510 -0.605 0.000 1.048 370 N CA -0.229 52.603 53.050 -0.364 0.000 0.836 370 N CB 1.402 39.807 38.487 -0.137 0.000 1.269 370 N HN 0.405 nan 8.380 nan 0.000 0.486 371 F N 0.014 119.984 119.950 0.032 0.000 2.576 371 F HA 0.333 4.860 4.527 0.000 0.000 0.313 371 F C 0.488 176.295 175.800 0.011 0.000 1.078 371 F CA -0.875 57.126 58.000 0.003 0.000 0.921 371 F CB 1.902 40.876 39.000 -0.044 0.000 1.232 371 F HN 0.148 nan 8.300 nan 0.000 0.459 372 E N 2.975 123.279 120.200 0.175 0.000 2.227 372 E HA 0.604 4.954 4.350 0.000 0.000 0.282 372 E C -1.153 175.580 176.600 0.222 0.000 1.015 372 E CA -0.429 56.056 56.400 0.142 0.000 0.823 372 E CB 1.563 31.162 29.700 -0.168 0.000 1.081 372 E HN 0.414 nan 8.360 nan 0.000 0.396 373 L N 3.709 125.088 121.223 0.260 0.000 2.388 373 L HA 0.555 4.895 4.340 0.000 0.000 0.264 373 L C -0.651 176.394 176.870 0.292 0.000 0.998 373 L CA -0.821 54.111 54.840 0.153 0.000 0.817 373 L CB 1.858 43.682 42.059 -0.390 0.000 1.338 373 L HN 0.429 nan 8.230 nan 0.000 0.414 374 I N 3.436 124.209 120.570 0.338 0.000 2.362 374 I HA 0.355 4.525 4.170 0.000 0.000 0.289 374 I C -2.213 174.138 176.117 0.391 0.000 0.994 374 I CA -2.010 59.464 61.300 0.290 0.000 1.158 374 I CB 1.973 40.088 38.000 0.192 0.000 1.315 374 I HN 0.246 nan 8.210 nan 0.000 0.451 375 P HA 0.059 nan 4.420 nan 0.000 0.272 375 P C -0.984 176.352 177.300 0.060 0.000 1.223 375 P CA -0.345 62.849 63.100 0.157 0.000 0.784 375 P CB 0.280 32.013 31.700 0.055 0.000 0.923 376 N N 2.406 121.072 118.700 -0.055 0.000 2.354 376 N HA 0.079 4.819 4.740 0.000 0.000 0.246 376 N C -1.975 173.516 175.510 -0.032 0.000 1.285 376 N CA -1.613 51.415 53.050 -0.037 0.000 0.925 376 N CB -1.366 37.075 38.487 -0.077 0.000 1.174 376 N HN 0.153 nan 8.380 nan 0.000 0.478 377 P HA -0.161 nan 4.420 nan 0.000 0.216 377 P C 0.980 178.264 177.300 -0.027 0.000 1.150 377 P CA 1.505 64.597 63.100 -0.014 0.000 0.843 377 P CB 0.200 31.894 31.700 -0.010 0.000 0.787 378 E N -0.945 119.230 120.200 -0.041 0.000 2.072 378 E HA -0.103 4.247 4.350 0.000 0.000 0.190 378 E C 1.764 178.332 176.600 -0.053 0.000 0.982 378 E CA 0.741 57.115 56.400 -0.043 0.000 0.803 378 E CB -1.043 28.629 29.700 -0.047 0.000 0.755 378 E HN 0.015 nan 8.360 nan 0.000 0.453 379 L N -0.022 121.153 121.223 -0.081 0.000 2.156 379 L HA 0.111 4.451 4.340 0.000 0.000 0.208 379 L C 2.033 178.873 176.870 -0.051 0.000 1.095 379 L CA 1.486 56.270 54.840 -0.093 0.000 0.770 379 L CB -0.667 41.277 42.059 -0.191 0.000 0.914 379 L HN 0.181 nan 8.230 nan 0.000 0.439 380 A N -0.892 121.907 122.820 -0.035 0.000 2.131 380 A HA -0.225 4.095 4.320 0.000 0.000 0.220 380 A C 2.177 179.755 177.584 -0.011 0.000 1.158 380 A CA 1.519 53.550 52.037 -0.010 0.000 0.665 380 A CB -0.521 18.478 19.000 -0.002 0.000 0.795 380 A HN 0.475 nan 8.150 nan 0.000 0.460 381 K N -0.784 119.606 120.400 -0.017 0.000 2.366 381 K HA 0.016 4.336 4.320 0.000 0.000 0.198 381 K C 0.375 176.969 176.600 -0.010 0.000 1.044 381 K CA 0.846 57.125 56.287 -0.013 0.000 0.973 381 K CB 0.057 32.548 32.500 -0.015 0.000 0.767 381 K HN 0.387 nan 8.250 nan 0.000 0.475 382 N N -0.162 118.532 118.700 -0.010 0.000 2.118 382 N HA 0.046 4.786 4.740 0.000 0.000 0.226 382 N C -1.012 174.501 175.510 0.004 0.000 1.305 382 N CA -0.048 52.999 53.050 -0.005 0.000 0.890 382 N CB 1.074 39.557 38.487 -0.008 0.000 1.118 382 N HN -0.017 nan 8.380 nan 0.000 0.511 383 L N 2.512 123.740 121.223 0.008 0.000 2.318 383 L HA 0.440 4.780 4.340 0.000 0.000 0.277 383 L C -0.312 176.571 176.870 0.021 0.000 1.008 383 L CA -0.564 54.293 54.840 0.028 0.000 0.846 383 L CB 1.210 43.299 42.059 0.050 0.000 1.220 383 L HN -0.276 nan 8.230 nan 0.000 0.423 384 V N 4.100 124.022 119.914 0.013 0.000 2.585 384 V HA 0.242 4.362 4.120 0.000 0.000 0.296 384 V C 0.848 176.932 176.094 -0.017 0.000 1.035 384 V CA 0.016 62.312 62.300 -0.006 0.000 1.084 384 V CB 1.246 33.065 31.823 -0.008 0.000 0.953 384 V HN 0.908 nan 8.190 nan 0.000 0.483 385 T N 2.487 117.011 114.554 -0.051 0.000 2.912 385 T HA 0.812 5.162 4.350 0.000 0.000 0.288 385 T C -0.758 173.841 174.700 -0.168 0.000 1.030 385 T CA -0.904 61.138 62.100 -0.097 0.000 1.020 385 T CB 2.295 71.109 68.868 -0.092 0.000 1.056 385 T HN 0.679 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 -1.278 175.115 176.600 -0.345 0.000 0.935 386 E CA -0.979 55.268 56.400 -0.255 0.000 0.775 386 E CB 1.835 31.453 29.700 -0.135 0.000 1.277 386 E HN 0.650 nan 8.360 nan 0.000 0.455 387 Y N 0.497 120.756 120.300 -0.070 0.000 2.480 387 Y HA 0.232 4.782 4.550 0.000 0.000 0.338 387 Y C 1.429 177.325 175.900 -0.006 0.000 1.220 387 Y CA 0.188 58.288 58.100 -0.001 0.000 1.430 387 Y CB 0.526 39.001 38.460 0.026 0.000 1.311 387 Y HN 0.605 nan 8.280 nan 0.000 0.575 388 G N 2.793 111.778 108.800 0.309 0.000 2.559 388 G HA2 0.066 4.026 3.960 0.000 0.000 0.235 388 G HA3 0.066 4.026 3.960 0.000 0.000 0.235 388 G C -0.219 174.799 174.900 0.196 0.000 1.266 388 G CA -0.885 44.370 45.100 0.258 0.000 0.847 388 G HN 0.436 nan 8.290 nan 0.000 0.583 389 R N -0.126 120.465 120.500 0.152 0.000 2.538 389 R HA -0.014 4.326 4.340 0.000 0.000 0.282 389 R C -0.326 176.084 176.300 0.183 0.000 1.009 389 R CA -0.429 55.755 56.100 0.141 0.000 1.063 389 R CB -0.001 30.355 30.300 0.093 0.000 0.945 389 R HN 0.381 nan 8.270 nan 0.000 0.414 390 F N 4.861 124.831 119.950 0.033 0.000 2.421 390 F HA 0.167 4.694 4.527 -0.000 0.000 0.358 390 F C -0.345 175.463 175.800 0.013 0.000 1.115 390 F CA -1.400 56.610 58.000 0.017 0.000 1.160 390 F CB 0.461 39.465 39.000 0.007 0.000 1.123 390 F HN 0.482 nan 8.300 nan 0.000 0.508 391 D N 8.081 128.177 120.400 -0.508 0.000 2.620 391 D HA 0.323 4.963 4.640 0.000 0.000 0.252 391 D C -3.289 172.595 176.300 -0.693 0.000 1.207 391 D CA -2.041 51.546 54.000 -0.688 0.000 0.884 391 D CB 1.740 42.361 40.800 -0.298 0.000 1.262 391 D HN 0.216 nan 8.370 nan 0.000 0.552 392 P HA 0.284 nan 4.420 nan 0.000 0.274 392 P C 1.010 178.200 177.300 -0.184 0.000 1.231 392 P CA 0.446 63.306 63.100 -0.400 0.000 0.790 392 P CB 1.085 32.636 31.700 -0.249 0.000 0.951 393 G N 1.405 110.167 108.800 -0.063 0.000 2.205 393 G HA2 -0.355 3.605 3.960 0.000 0.000 0.261 393 G HA3 -0.355 3.605 3.960 0.000 0.000 0.261 393 G C 1.122 176.045 174.900 0.038 0.000 0.980 393 G CA 0.712 45.812 45.100 0.000 0.000 0.632 393 G HN 0.737 nan 8.290 nan 0.000 0.533 394 A N -0.485 122.327 122.820 -0.013 0.000 1.877 394 A HA 0.203 4.523 4.320 0.000 0.000 0.216 394 A C 2.273 179.922 177.584 0.108 0.000 1.186 394 A CA 2.831 54.898 52.037 0.050 0.000 0.620 394 A CB -0.370 18.625 19.000 -0.008 0.000 0.822 394 A HN 1.150 nan 8.150 nan 0.000 0.443 395 M N 0.852 120.466 119.600 0.023 0.000 2.132 395 M HA -0.081 4.399 4.480 0.000 0.000 0.263 395 M C 1.543 177.893 176.300 0.083 0.000 1.065 395 M CA 1.733 57.041 55.300 0.013 0.000 1.122 395 M CB -0.956 31.619 32.600 -0.041 0.000 1.365 395 M HN 0.513 nan 8.290 nan 0.000 0.411 396 N N -1.324 117.430 118.700 0.090 0.000 2.166 396 N HA -0.217 4.523 4.740 0.000 0.000 0.186 396 N C 1.735 177.323 175.510 0.130 0.000 1.019 396 N CA 1.609 54.717 53.050 0.097 0.000 0.856 396 N CB -0.408 38.132 38.487 0.088 0.000 0.993 396 N HN 0.428 nan 8.380 nan 0.000 0.426 397 Y N 2.343 122.675 120.300 0.053 0.000 2.200 397 Y HA -0.161 4.389 4.550 -0.000 0.000 0.290 397 Y C 2.523 178.481 175.900 0.096 0.000 1.137 397 Y CA 1.410 59.552 58.100 0.070 0.000 1.163 397 Y CB -0.468 38.034 38.460 0.071 0.000 0.988 397 Y HN -0.033 nan 8.280 nan 0.000 0.518 398 T N 0.181 114.867 114.554 0.219 0.000 2.708 398 T HA -0.201 4.149 4.350 0.000 0.000 0.266 398 T C 1.801 176.565 174.700 0.106 0.000 1.037 398 T CA 1.907 64.124 62.100 0.196 0.000 1.146 398 T CB -0.198 68.861 68.868 0.317 0.000 0.865 398 T HN 0.266 nan 8.240 nan 0.000 0.435 399 K N 0.380 120.836 120.400 0.094 0.000 2.057 399 K HA -0.012 4.308 4.320 0.000 0.000 0.207 399 K C 2.199 178.801 176.600 0.003 0.000 1.049 399 K CA 0.849 57.173 56.287 0.062 0.000 0.931 399 K CB -0.345 32.192 32.500 0.061 0.000 0.714 399 K HN 0.138 nan 8.250 nan 0.000 0.440 400 L N 1.308 122.504 121.223 -0.045 0.000 1.994 400 L HA -0.176 4.164 4.340 0.000 0.000 0.208 400 L C 1.898 178.692 176.870 -0.127 0.000 1.071 400 L CA 1.579 56.361 54.840 -0.096 0.000 0.745 400 L CB -0.373 41.594 42.059 -0.154 0.000 0.892 400 L HN 0.083 nan 8.230 nan 0.000 0.431 401 I N -0.288 120.162 120.570 -0.200 0.000 2.127 401 I HA -0.317 3.853 4.170 0.000 0.000 0.241 401 I C 2.598 178.681 176.117 -0.057 0.000 1.075 401 I CA 1.652 62.858 61.300 -0.155 0.000 1.334 401 I CB -1.266 36.634 38.000 -0.166 0.000 1.040 401 I HN 0.323 nan 8.210 nan 0.000 0.405 402 L N 0.041 121.251 121.223 -0.022 0.000 2.093 402 L HA -0.185 4.155 4.340 0.000 0.000 0.208 402 L C 2.700 179.559 176.870 -0.019 0.000 1.085 402 L CA 1.415 56.252 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 -0.227 115.461 115.700 -0.020 0.000 2.400 403 S HA -0.164 4.306 4.470 0.000 0.000 0.232 403 S C 1.520 176.105 174.600 -0.025 0.000 1.025 403 S CA 1.194 59.381 58.200 -0.021 0.000 0.993 403 S CB -0.074 63.115 63.200 -0.018 0.000 0.808 403 S HN 0.402 nan 8.310 nan 0.000 0.478 404 E N 0.638 120.820 120.200 -0.029 0.000 2.499 404 E HA 0.158 4.508 4.350 0.000 0.000 0.199 404 E C 1.532 178.119 176.600 -0.022 0.000 1.016 404 E CA -0.270 56.116 56.400 -0.022 0.000 0.933 404 E CB -0.012 29.677 29.700 -0.019 0.000 1.050 404 E HN 0.506 nan 8.360 nan 0.000 0.462 405 R N 1.470 121.951 120.500 -0.032 0.000 2.112 405 R HA -0.199 4.141 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 1.868 57.942 56.100 -0.044 0.000 0.944 405 R CB 0.106 30.374 30.300 -0.053 0.000 0.857 405 R HN 0.086 nan 8.270 nan 0.000 0.435 406 D N -0.262 120.101 120.400 -0.061 0.000 2.149 406 D HA -0.159 4.481 4.640 0.000 0.000 0.201 406 D C 2.026 178.292 176.300 -0.056 0.000 0.972 406 D CA 1.414 55.370 54.000 -0.073 0.000 0.835 406 D CB -0.219 40.542 40.800 -0.065 0.000 0.966 406 D HN 0.449 nan 8.370 nan 0.000 0.476 407 R N 0.783 121.265 120.500 -0.031 0.000 2.189 407 R HA 0.019 4.359 4.340 0.000 0.000 0.218 407 R C 1.993 178.297 176.300 0.006 0.000 1.074 407 R CA 0.774 56.866 56.100 -0.013 0.000 0.991 407 R CB -0.427 29.872 30.300 -0.001 0.000 0.883 407 R HN 0.144 nan 8.270 nan 0.000 0.457 408 L N 0.335 121.567 121.223 0.016 0.000 2.446 408 L HA 0.280 4.620 4.340 0.000 0.000 0.219 408 L C 0.911 177.805 176.870 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 42.136 42.059 0.106 0.000 0.970 408 L HN 0.628 nan 8.230 nan 0.000 0.457 409 G N 1.534 110.298 108.800 -0.060 0.000 2.272 409 G HA2 -0.287 3.673 3.960 0.000 0.000 0.280 409 G HA3 -0.287 3.673 3.960 0.000 0.000 0.280 409 G C 0.038 174.741 174.900 -0.329 0.000 1.067 409 G CA -0.199 44.797 45.100 -0.174 0.000 0.902 409 G HN 0.301 nan 8.290 nan 0.000 0.500 410 I N 0.819 121.239 120.570 -0.250 0.000 2.294 410 I HA 0.212 4.382 4.170 0.000 0.000 0.295 410 I C 0.915 176.812 176.117 -0.367 0.000 1.098 410 I CA -0.039 61.107 61.300 -0.256 0.000 1.277 410 I CB 0.436 38.391 38.000 -0.075 0.000 1.434 410 I HN 0.083 nan 8.210 nan 0.000 0.498 411 K N 3.370 123.283 120.400 -0.813 0.000 2.087 411 K HA 0.335 4.655 4.320 0.000 0.000 0.255 411 K C 1.151 177.515 176.600 -0.393 0.000 0.988 411 K CA -0.459 55.309 56.287 -0.865 0.000 0.915 411 K CB 1.227 32.767 32.500 -1.600 0.000 1.043 411 K HN 0.561 nan 8.250 nan 0.000 0.457 412 T N -3.112 111.286 114.554 -0.260 0.000 3.051 412 T HA 0.045 4.395 4.350 0.000 0.000 0.255 412 T C 0.691 175.368 174.700 -0.039 0.000 1.085 412 T CA -0.110 61.947 62.100 -0.072 0.000 1.109 412 T CB -0.138 68.694 68.868 -0.060 0.000 0.921 412 T HN 0.372 nan 8.240 nan 0.000 0.488 413 V N -1.692 118.122 119.914 -0.168 0.000 2.577 413 V HA 0.811 4.931 4.120 0.000 0.000 0.303 413 V C -1.801 174.207 176.094 -0.142 0.000 1.042 413 V CA -1.753 60.514 62.300 -0.055 0.000 0.872 413 V CB 0.889 32.690 31.823 -0.037 0.000 0.998 413 V HN 0.352 nan 8.190 nan 0.000 0.423 414 W N 3.589 124.845 121.300 -0.074 0.000 2.844 414 W HA 0.733 5.393 4.660 -0.000 0.000 0.340 414 W C -2.715 173.803 176.519 -0.001 0.000 1.093 414 W CA -2.513 54.813 57.345 -0.031 0.000 1.212 414 W CB 1.803 31.263 29.460 0.000 0.000 1.422 414 W HN 0.344 nan 8.180 nan 0.000 0.515 415 P HA 0.072 nan 4.420 nan 0.000 0.271 415 P C 0.842 178.292 177.300 0.250 0.000 1.226 415 P CA 0.388 63.609 63.100 0.203 0.000 0.765 415 P CB 0.813 32.607 31.700 0.157 0.000 0.835 416 T N 2.811 117.470 114.554 0.176 0.000 2.699 416 T HA -0.236 4.114 4.350 0.000 0.000 0.268 416 T C 1.770 176.573 174.700 0.173 0.000 1.036 416 T CA 1.773 63.968 62.100 0.158 0.000 1.147 416 T CB -0.351 68.575 68.868 0.096 0.000 0.862 416 T HN 0.432 nan 8.240 nan 0.000 0.446 417 R N 1.468 122.053 120.500 0.141 0.000 2.091 417 R HA -0.101 4.239 4.340 0.000 0.000 0.238 417 R C 2.116 178.503 176.300 0.144 0.000 1.136 417 R CA 1.854 58.025 56.100 0.119 0.000 0.959 417 R CB -0.388 29.970 30.300 0.095 0.000 0.856 417 R HN 0.475 nan 8.270 nan 0.000 0.437 418 E N -1.177 119.149 120.200 0.210 0.000 2.152 418 E HA -0.203 4.147 4.350 0.000 0.000 0.192 418 E C 1.576 178.361 176.600 0.308 0.000 0.983 418 E CA 1.144 57.710 56.400 0.277 0.000 0.818 418 E CB -0.203 29.703 29.700 0.345 0.000 0.758 418 E HN 0.432 nan 8.360 nan 0.000 0.467 419 Y N 1.528 121.872 120.300 0.073 0.000 2.220 419 Y HA -0.179 4.371 4.550 0.000 0.000 0.291 419 Y C 2.352 178.156 175.900 -0.161 0.000 1.129 419 Y CA 1.625 59.477 58.100 -0.414 0.000 1.161 419 Y CB -0.332 37.733 38.460 -0.659 0.000 0.997 419 Y HN -0.111 nan 8.280 nan 0.000 0.522 420 T N 0.420 114.938 114.554 -0.060 0.000 2.684 420 T HA -0.186 4.164 4.350 0.000 0.000 0.267 420 T C 1.329 175.980 174.700 -0.082 0.000 1.036 420 T CA 1.756 63.801 62.100 -0.091 0.000 1.148 420 T CB -0.394 68.485 68.868 0.019 0.000 0.863 420 T HN 0.355 nan 8.240 nan 0.000 0.436 421 D N 0.452 120.859 120.400 0.011 0.000 2.123 421 D HA -0.068 4.572 4.640 0.000 0.000 0.196 421 D C 1.665 178.012 176.300 0.079 0.000 0.992 421 D CA 0.741 54.775 54.000 0.057 0.000 0.833 421 D CB -0.502 40.356 40.800 0.096 0.000 0.954 421 D HN 0.366 nan 8.370 nan 0.000 0.455 422 F N 1.799 121.692 119.950 -0.095 0.000 2.095 422 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 422 F C 2.284 178.039 175.800 -0.074 0.000 1.104 422 F CA 1.446 59.404 58.000 -0.070 0.000 1.232 422 F CB -0.086 38.791 39.000 -0.204 0.000 0.987 422 F HN -0.204 nan 8.300 nan 0.000 0.475 423 R N 0.369 120.651 120.500 -0.364 0.000 2.094 423 R HA -0.242 4.098 4.340 0.000 0.000 0.239 423 R C 2.363 178.536 176.300 -0.212 0.000 1.137 423 R CA 2.178 58.072 56.100 -0.344 0.000 0.943 423 R CB -0.794 29.300 30.300 -0.344 0.000 0.850 423 R HN 0.637 nan 8.270 nan 0.000 0.433 424 E N -0.606 119.510 120.200 -0.139 0.000 2.216 424 E HA -0.202 4.148 4.350 0.000 0.000 0.192 424 E C 1.648 178.196 176.600 -0.085 0.000 0.988 424 E CA 0.784 57.121 56.400 -0.104 0.000 0.834 424 E CB -0.294 29.372 29.700 -0.058 0.000 0.772 424 E HN 0.415 nan 8.360 nan 0.000 0.479 425 Y N 1.091 121.297 120.300 -0.156 0.000 2.130 425 Y HA -0.031 4.519 4.550 0.000 0.000 0.287 425 Y C 1.112 176.928 175.900 -0.139 0.000 1.124 425 Y CA 0.965 58.998 58.100 -0.112 0.000 1.118 425 Y CB -0.262 38.173 38.460 -0.041 0.000 0.994 425 Y HN 0.092 nan 8.280 nan 0.000 0.497 426 F N 0.505 120.288 119.950 -0.279 0.000 2.521 426 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 426 F C 1.016 176.639 175.800 -0.295 0.000 1.289 426 F CA 0.199 57.977 58.000 -0.369 0.000 1.315 426 F CB 0.197 38.780 39.000 -0.696 0.000 1.257 426 F HN 0.134 nan 8.300 nan 0.000 0.541 427 M N 2.135 120.771 119.600 -1.606 0.000 2.212 427 M HA -0.258 4.222 4.480 0.000 0.000 0.193 427 M C 0.274 176.260 176.300 -0.524 0.000 0.493 427 M CA 0.764 55.433 55.300 -1.051 0.000 0.427 427 M CB -1.114 31.085 32.600 -0.668 0.000 1.120 427 M HN 0.805 nan 8.290 nan 0.000 0.929 428 E N -1.086 118.840 120.200 -0.457 0.000 2.474 428 E HA 0.182 4.532 4.350 0.000 0.000 0.195 428 E C -0.033 176.421 176.600 -0.244 0.000 1.039 428 E CA 0.132 56.351 56.400 -0.301 0.000 0.881 428 E CB 0.703 30.233 29.700 -0.283 0.000 0.970 428 E HN 0.402 nan 8.360 nan 0.000 0.486 429 V N 0.917 120.667 119.914 -0.273 0.000 2.483 429 V HA 0.574 4.694 4.120 0.000 0.000 0.297 429 V C -0.662 175.313 176.094 -0.198 0.000 1.027 429 V CA -0.606 61.573 62.300 -0.203 0.000 0.855 429 V CB 1.624 33.346 31.823 -0.167 0.000 0.995 429 V HN 0.066 nan 8.190 nan 0.000 0.424 430 A N 3.063 125.794 122.820 -0.149 0.000 2.839 430 A HA 0.469 4.789 4.320 0.000 0.000 0.303 430 A C -0.403 177.127 177.584 -0.090 0.000 1.181 430 A CA -0.308 51.657 52.037 -0.119 0.000 0.808 430 A CB 0.572 19.500 19.000 -0.121 0.000 1.391 430 A HN 0.635 nan 8.150 nan 0.000 0.433 431 D N 2.357 122.709 120.400 -0.080 0.000 2.615 431 D HA 0.409 5.049 4.640 0.000 0.000 0.236 431 D C 1.155 177.424 176.300 -0.053 0.000 1.233 431 D CA 0.309 54.268 54.000 -0.068 0.000 0.829 431 D CB -0.484 40.274 40.800 -0.070 0.000 1.024 431 D HN 0.651 nan 8.370 nan 0.000 0.490 432 L N -1.488 119.706 121.223 -0.048 0.000 5.895 432 L HA -0.353 3.987 4.340 0.000 0.000 0.053 432 L C 0.616 177.466 176.870 -0.035 0.000 2.741 432 L CA 1.242 56.060 54.840 -0.037 0.000 1.500 432 L CB -1.649 40.390 42.059 -0.033 0.000 2.928 432 L HN 0.283 nan 8.230 nan 0.000 1.023 433 N N -0.387 118.294 118.700 -0.030 0.000 3.112 433 N HA 0.646 5.386 4.740 0.000 0.000 0.231 433 N C -0.380 175.115 175.510 -0.025 0.000 1.385 433 N CA 0.458 53.491 53.050 -0.028 0.000 0.790 433 N CB 0.483 38.956 38.487 -0.023 0.000 1.563 433 N HN 1.151 nan 8.380 nan 0.000 0.613 434 S N 1.052 116.736 115.700 -0.027 0.000 2.560 434 S HA 0.503 4.973 4.470 0.000 0.000 0.276 434 S C -1.250 173.338 174.600 -0.019 0.000 1.350 434 S CA -0.509 57.677 58.200 -0.024 0.000 1.024 434 S CB -0.717 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 -0.094 nan 4.420 nan 0.000 0.041 435 P C 0.187 177.480 177.300 -0.012 0.000 0.590 435 P CA 0.557 63.648 63.100 -0.014 0.000 1.019 435 P CB -0.687 31.006 31.700 -0.013 0.000 1.776 436 L N 0.563 121.778 121.223 -0.012 0.000 2.127 436 L HA -0.105 4.235 4.340 0.000 0.000 0.203 436 L C 2.681 179.546 176.870 -0.009 0.000 1.080 436 L CA 1.634 56.468 54.840 -0.010 0.000 0.768 436 L CB -1.038 41.015 42.059 -0.010 0.000 0.924 436 L HN 0.071 nan 8.230 nan 0.000 0.444 437 K N 0.947 121.341 120.400 -0.010 0.000 2.362 437 K HA -0.115 4.205 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 1.986 58.268 56.287 -0.009 0.000 0.936 437 K CB -0.822 31.672 32.500 -0.010 0.000 0.747 437 K HN 0.516 nan 8.250 nan 0.000 0.467 438 I N -1.850 118.715 120.570 -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 1.633 124.449 122.820 -0.007 0.000 1.862 439 A HA 0.026 4.346 4.320 0.000 0.000 0.217 439 A C 1.436 179.017 177.584 -0.005 0.000 1.251 439 A CA 2.138 54.171 52.037 -0.006 0.000 0.673 439 A CB -1.173 17.824 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