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_L 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 62.014 62.100 -0.144 0.000 1.349 8 T CB 0.000 68.836 68.868 -0.053 0.000 0.612 9 Q N 0.460 120.167 119.800 -0.156 0.000 2.285 9 Q HA 0.867 5.207 4.340 -0.000 0.000 0.269 9 Q C 0.653 176.583 176.000 -0.118 0.000 1.030 9 Q CA 0.686 56.419 55.803 -0.116 0.000 0.788 9 Q CB 0.735 29.416 28.738 -0.095 0.000 1.266 9 Q HN 2.519 nan 8.270 nan 0.000 0.438 10 Q N 0.468 120.206 119.800 -0.103 0.000 2.363 10 Q HA -0.279 4.061 4.340 -0.000 0.000 0.409 10 Q C 1.131 177.054 176.000 -0.129 0.000 1.118 10 Q CA 4.480 60.221 55.803 -0.103 0.000 0.966 10 Q CB -2.620 26.069 28.738 -0.082 0.000 1.795 10 Q HN 2.311 nan 8.270 nan 0.000 0.941 11 I N -6.420 114.078 120.570 -0.119 0.000 3.519 11 I HA 0.729 4.899 4.170 -0.000 0.000 0.314 11 I C -0.601 175.446 176.117 -0.116 0.000 1.273 11 I CA -0.588 60.633 61.300 -0.131 0.000 1.108 11 I CB 1.738 39.667 38.000 -0.117 0.000 1.212 11 I HN 0.652 nan 8.210 nan 0.000 0.420 12 V N 1.736 121.612 119.914 -0.065 0.000 2.419 12 V HA 0.291 4.411 4.120 -0.000 0.000 0.287 12 V C -1.866 174.262 176.094 0.057 0.000 1.017 12 V CA -1.095 61.186 62.300 -0.032 0.000 0.844 12 V CB 1.088 32.870 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 1.584 178.958 177.300 0.124 0.000 1.158 13 P CA 1.687 64.835 63.100 0.080 0.000 0.895 13 P CB 0.115 31.863 31.700 0.081 0.000 0.792 14 F N -0.346 119.621 119.950 0.028 0.000 2.102 14 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 14 F C 2.046 177.886 175.800 0.068 0.000 1.105 14 F CA 1.299 59.316 58.000 0.029 0.000 1.239 14 F CB -0.729 38.265 39.000 -0.011 0.000 0.991 14 F HN -0.234 nan 8.300 nan 0.000 0.474 15 I N 0.649 121.225 120.570 0.009 0.000 2.226 15 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 15 I C 2.583 178.689 176.117 -0.019 0.000 1.100 15 I CA 1.425 62.716 61.300 -0.014 0.000 1.374 15 I CB -1.308 36.848 38.000 0.260 0.000 1.057 15 I HN 0.212 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 2.141 58.334 56.100 0.156 0.000 0.951 16 R CB -0.234 30.135 30.300 0.115 0.000 0.851 16 R HN 0.228 nan 8.270 nan 0.000 0.434 17 S N 0.066 115.723 115.700 -0.072 0.000 2.368 17 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 17 S C 1.846 176.332 174.600 -0.190 0.000 1.029 17 S CA 1.128 59.264 58.200 -0.107 0.000 0.988 17 S CB -0.246 62.900 63.200 -0.090 0.000 0.838 17 S HN 0.355 nan 8.310 nan 0.000 0.462 18 L N 1.307 122.296 121.223 -0.391 0.000 2.027 18 L HA 0.137 4.477 4.340 -0.000 0.000 0.206 18 L C 1.965 178.759 176.870 -0.127 0.000 1.074 18 L CA 1.800 56.429 54.840 -0.351 0.000 0.745 18 L CB -0.449 41.276 42.059 -0.558 0.000 0.898 18 L HN 0.374 nan 8.230 nan 0.000 0.433 19 L N -1.518 119.652 121.223 -0.089 0.000 2.375 19 L HA 0.081 4.421 4.340 -0.000 0.000 0.215 19 L C 0.678 177.632 176.870 0.140 0.000 1.108 19 L CA 0.321 55.176 54.840 0.026 0.000 0.830 19 L CB -0.001 41.989 42.059 -0.114 0.000 0.959 19 L HN 0.239 nan 8.230 nan 0.000 0.457 20 M N -0.551 119.107 119.600 0.097 0.000 2.389 20 M HA 0.238 4.718 4.480 -0.000 0.000 0.206 20 M C -1.979 174.361 176.300 0.067 0.000 0.976 20 M CA -1.274 54.109 55.300 0.137 0.000 0.648 20 M CB 1.591 34.266 32.600 0.125 0.000 1.474 20 M HN -0.264 nan 8.290 nan 0.000 0.398 21 P HA -0.158 nan 4.420 nan 0.000 0.219 21 P C 1.359 178.659 177.300 0.001 0.000 1.146 21 P CA 1.475 64.567 63.100 -0.013 0.000 0.808 21 P CB -0.180 31.491 31.700 -0.048 0.000 0.779 22 T N -5.731 108.836 114.554 0.022 0.000 3.098 22 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 22 T C 1.697 176.411 174.700 0.024 0.000 1.145 22 T CA 1.380 63.493 62.100 0.022 0.000 1.092 22 T CB -1.426 67.462 68.868 0.034 0.000 0.908 22 T HN 0.016 nan 8.240 nan 0.000 0.526 23 T N 0.853 115.423 114.554 0.027 0.000 3.023 23 T HA 0.453 4.803 4.350 -0.000 0.000 0.266 23 T C 0.928 175.642 174.700 0.023 0.000 1.093 23 T CA 1.047 63.161 62.100 0.024 0.000 1.129 23 T CB -0.660 68.225 68.868 0.030 0.000 0.899 23 T HN 0.990 nan 8.240 nan 0.000 0.491 24 G N 1.344 110.157 108.800 0.022 0.000 2.408 24 G HA2 0.074 4.034 3.960 -0.000 0.000 0.682 24 G HA3 0.074 4.034 3.960 -0.000 0.000 0.682 24 G C -3.334 171.584 174.900 0.030 0.000 1.303 24 G CA -0.962 44.156 45.100 0.030 0.000 0.966 24 G HN 0.074 nan 8.290 nan 0.000 0.560 25 P HA 0.720 nan 4.420 nan 0.000 0.283 25 P C -0.456 176.905 177.300 0.102 0.000 1.271 25 P CA 0.185 63.326 63.100 0.067 0.000 0.841 25 P CB 1.983 33.736 31.700 0.088 0.000 1.122 26 A N 0.514 123.424 122.820 0.151 0.000 2.572 26 A HA 0.602 4.922 4.320 -0.000 0.000 0.295 26 A C -0.525 177.214 177.584 0.258 0.000 1.072 26 A CA -0.541 51.617 52.037 0.203 0.000 0.691 26 A CB 0.727 19.862 19.000 0.226 0.000 1.291 26 A HN 0.382 nan 8.150 nan 0.000 0.404 27 S N 0.794 116.632 115.700 0.228 0.000 2.549 27 S HA 0.363 4.833 4.470 -0.000 0.000 0.279 27 S C 0.294 174.877 174.600 -0.028 0.000 1.321 27 S CA -0.161 58.144 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 4.932 125.371 120.570 -0.218 0.000 2.598 28 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 28 I C -1.563 174.219 176.117 -0.559 0.000 1.140 28 I CA -1.410 59.465 61.300 -0.709 0.000 1.420 28 I CB 0.389 38.075 38.000 -0.523 0.000 1.387 28 I HN 0.426 nan 8.210 nan 0.000 0.553 29 P HA 0.110 nan 4.420 nan 0.000 0.214 29 P C -1.049 176.087 177.300 -0.272 0.000 1.807 29 P CA -0.266 62.621 63.100 -0.354 0.000 0.921 29 P CB -0.402 31.112 31.700 -0.310 0.000 1.835 30 D N -1.012 119.241 120.400 -0.245 0.000 2.541 30 D HA 0.121 4.761 4.640 -0.000 0.000 0.276 30 D C 0.444 176.724 176.300 -0.033 0.000 1.190 30 D CA -0.369 53.556 54.000 -0.125 0.000 1.095 30 D CB -0.005 40.733 40.800 -0.103 0.000 1.173 30 D HN -0.175 nan 8.370 nan 0.000 0.604 31 D N -1.342 119.059 120.400 0.001 0.000 2.349 31 D HA 0.041 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 0.022 0.000 0.847 31 D CB 0.081 40.893 40.800 0.019 0.000 0.933 31 D HN 0.273 nan 8.370 nan 0.000 0.513 32 T N 2.118 116.709 114.554 0.063 0.000 4.104 32 T HA 0.180 4.530 4.350 -0.000 0.000 0.285 32 T C 0.896 175.699 174.700 0.172 0.000 1.346 32 T CA -0.097 62.074 62.100 0.119 0.000 1.158 32 T CB -0.329 68.620 68.868 0.134 0.000 1.290 32 T HN 0.033 nan 8.240 nan 0.000 0.975 33 L N 3.403 124.717 121.223 0.153 0.000 2.404 33 L HA 0.253 4.593 4.340 -0.000 0.000 0.277 33 L C 0.772 177.851 176.870 0.348 0.000 1.184 33 L CA 0.051 55.032 54.840 0.236 0.000 1.013 33 L CB -0.085 42.027 42.059 0.089 0.000 1.318 33 L HN 0.378 nan 8.230 nan 0.000 0.435 34 E N 2.939 123.332 120.200 0.320 0.000 2.207 34 E HA 0.315 4.665 4.350 -0.000 0.000 0.270 34 E C -0.601 176.019 176.600 0.033 0.000 0.927 34 E CA -0.954 55.504 56.400 0.096 0.000 0.799 34 E CB 2.429 31.965 29.700 -0.273 0.000 1.172 34 E HN 0.318 nan 8.360 nan 0.000 0.404 35 K N 3.470 123.639 120.400 -0.385 0.000 2.412 35 K HA 0.048 4.368 4.320 -0.000 0.000 0.284 35 K C 0.227 176.743 176.600 -0.140 0.000 1.046 35 K CA 0.319 56.322 56.287 -0.474 0.000 0.999 35 K CB 0.137 32.308 32.500 -0.548 0.000 0.941 35 K HN 0.524 nan 8.250 nan 0.000 0.474 36 H N -0.227 118.780 119.070 -0.104 0.000 2.959 36 H HA 0.484 5.040 4.556 -0.000 0.000 0.296 36 H C -1.078 174.283 175.328 0.054 0.000 1.421 36 H CA -0.800 55.260 56.048 0.019 0.000 1.206 36 H CB 1.934 31.800 29.762 0.173 0.000 1.891 36 H HN 0.403 nan 8.280 nan 0.000 0.573 37 T N 0.587 115.256 114.554 0.192 0.000 2.906 37 T HA 0.543 4.893 4.350 -0.000 0.000 0.295 37 T C -0.902 173.939 174.700 0.234 0.000 1.061 37 T CA -0.739 61.436 62.100 0.124 0.000 1.000 37 T CB 1.119 70.066 68.868 0.130 0.000 1.103 37 T HN 0.413 nan 8.240 nan 0.000 0.486 38 L N 3.472 124.801 121.223 0.177 0.000 2.307 38 L HA 0.743 5.082 4.340 -0.000 0.000 0.284 38 L C 0.016 176.967 176.870 0.135 0.000 1.023 38 L CA -0.750 54.204 54.840 0.189 0.000 0.810 38 L CB 1.605 43.772 42.059 0.179 0.000 1.231 38 L HN 0.507 nan 8.230 nan 0.000 0.423 39 R N 0.898 121.483 120.500 0.142 0.000 2.771 39 R HA 0.599 4.939 4.340 -0.000 0.000 0.274 39 R C -1.291 175.123 176.300 0.189 0.000 0.987 39 R CA -0.469 55.715 56.100 0.140 0.000 0.908 39 R CB 2.498 32.848 30.300 0.084 0.000 1.213 39 R HN 0.519 nan 8.270 nan 0.000 0.468 40 S N 1.194 116.989 115.700 0.158 0.000 2.501 40 S HA 0.499 4.969 4.470 -0.000 0.000 0.301 40 S C -1.102 173.612 174.600 0.190 0.000 1.096 40 S CA -0.845 57.446 58.200 0.151 0.000 1.063 40 S CB 1.464 64.717 63.200 0.089 0.000 1.042 40 S HN 0.316 nan 8.310 nan 0.000 0.494 41 E N 2.328 122.671 120.200 0.239 0.000 2.224 41 E HA 0.337 4.687 4.350 -0.000 0.000 0.265 41 E C -0.406 176.292 176.600 0.163 0.000 0.878 41 E CA -0.495 56.036 56.400 0.219 0.000 0.759 41 E CB 2.028 31.913 29.700 0.308 0.000 1.164 41 E HN 0.724 nan 8.360 nan 0.000 0.414 42 T N -0.568 114.052 114.554 0.110 0.000 2.882 42 T HA 0.505 4.855 4.350 -0.000 0.000 0.287 42 T C 0.312 175.066 174.700 0.089 0.000 1.014 42 T CA -0.612 61.534 62.100 0.077 0.000 1.049 42 T CB 0.966 69.858 68.868 0.040 0.000 1.001 42 T HN 0.116 nan 8.240 nan 0.000 0.525 43 S N 1.328 117.079 115.700 0.086 0.000 2.561 43 S HA 0.669 5.139 4.470 -0.000 0.000 0.303 43 S C -0.318 174.305 174.600 0.038 0.000 1.110 43 S CA -0.921 57.349 58.200 0.117 0.000 1.034 43 S CB 1.405 64.755 63.200 0.251 0.000 1.010 43 S HN 1.068 nan 8.310 nan 0.000 0.482 44 T N 1.167 115.618 114.554 -0.171 0.000 2.881 44 T HA 0.717 5.067 4.350 -0.000 0.000 0.291 44 T C -1.314 173.078 174.700 -0.513 0.000 0.990 44 T CA -0.521 61.460 62.100 -0.198 0.000 0.976 44 T CB 0.427 69.205 68.868 -0.150 0.000 0.970 44 T HN 0.421 nan 8.240 nan 0.000 0.438 45 Y N 1.454 121.759 120.300 0.009 0.000 2.492 45 Y HA 0.551 5.101 4.550 -0.000 0.000 0.346 45 Y C -0.178 175.698 175.900 -0.041 0.000 0.997 45 Y CA -1.231 56.860 58.100 -0.016 0.000 1.025 45 Y CB 2.335 40.781 38.460 -0.023 0.000 1.263 45 Y HN 0.571 nan 8.280 nan 0.000 0.454 46 N N 3.953 122.709 118.700 0.093 0.000 2.621 46 N HA 0.381 5.121 4.740 -0.000 0.000 0.237 46 N C -1.301 174.215 175.510 0.009 0.000 0.997 46 N CA -0.296 52.770 53.050 0.025 0.000 0.918 46 N CB 0.929 39.418 38.487 0.003 0.000 1.122 46 N HN 0.548 nan 8.380 nan 0.000 0.510 47 L N 0.956 122.142 121.223 -0.062 0.000 2.350 47 L HA 0.424 4.764 4.340 -0.000 0.000 0.275 47 L C 0.723 177.552 176.870 -0.068 0.000 1.099 47 L CA -0.388 54.380 54.840 -0.120 0.000 0.808 47 L CB 0.789 42.588 42.059 -0.434 0.000 1.149 47 L HN 0.172 nan 8.230 nan 0.000 0.442 48 T N 1.832 116.398 114.554 0.020 0.000 2.799 48 T HA 0.339 4.689 4.350 -0.000 0.000 0.286 48 T C 0.084 174.850 174.700 0.110 0.000 0.973 48 T CA -0.485 61.640 62.100 0.042 0.000 1.035 48 T CB 1.672 70.567 68.868 0.044 0.000 0.932 48 T HN 0.205 nan 8.240 nan 0.000 0.469 49 V N 3.466 123.428 119.914 0.080 0.000 2.555 49 V HA 0.460 4.580 4.120 -0.000 0.000 0.286 49 V C 1.217 177.390 176.094 0.132 0.000 1.044 49 V CA -0.263 62.130 62.300 0.155 0.000 1.026 49 V CB 1.023 32.910 31.823 0.106 0.000 0.981 49 V HN 1.046 nan 8.190 nan 0.000 0.480 50 G N 2.360 111.253 108.800 0.155 0.000 2.535 50 G HA2 0.172 4.132 3.960 -0.000 0.000 0.282 50 G HA3 0.172 4.132 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 -0.232 44.920 45.100 0.086 0.000 1.039 50 G HN 0.673 nan 8.290 nan 0.000 0.509 51 D N -0.512 119.907 120.400 0.031 0.000 2.158 51 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 51 D C 2.798 179.102 176.300 0.008 0.000 0.995 51 D CA 2.101 56.109 54.000 0.014 0.000 0.846 51 D CB -0.262 40.538 40.800 0.001 0.000 0.941 51 D HN 0.449 nan 8.370 nan 0.000 0.456 52 T N -3.586 110.968 114.554 -0.001 0.000 3.088 52 T HA 0.223 4.573 4.350 -0.000 0.000 0.259 52 T C 1.665 176.364 174.700 -0.002 0.000 1.122 52 T CA 0.850 62.937 62.100 -0.021 0.000 1.095 52 T CB 0.151 68.984 68.868 -0.057 0.000 0.930 52 T HN 0.217 nan 8.240 nan 0.000 0.508 53 G N 0.222 109.050 108.800 0.046 0.000 2.160 53 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.251 53 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.251 53 G C 0.042 175.026 174.900 0.141 0.000 1.008 53 G CA 0.289 45.446 45.100 0.096 0.000 0.724 53 G HN 1.002 nan 8.290 nan 0.000 0.514 54 S N -1.335 114.403 115.700 0.063 0.000 2.546 54 S HA 0.930 5.400 4.470 -0.000 0.000 0.274 54 S C 0.098 174.487 174.600 -0.353 0.000 1.121 54 S CA 0.717 58.825 58.200 -0.153 0.000 0.887 54 S CB 1.846 64.952 63.200 -0.157 0.000 1.094 54 S HN 1.936 nan 8.310 nan 0.000 0.474 55 G N 1.104 109.370 108.800 -0.889 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 -2.476 172.166 174.900 -0.429 0.000 1.339 55 G CA -0.523 44.219 45.100 -0.596 0.000 0.803 55 G HN 1.004 nan 8.290 nan 0.000 0.482 56 L N -0.139 121.116 121.223 0.053 0.000 2.464 56 L HA 0.781 5.121 4.340 -0.000 0.000 0.266 56 L C -1.218 175.763 176.870 0.185 0.000 0.965 56 L CA -0.652 54.249 54.840 0.102 0.000 0.833 56 L CB 1.799 43.850 42.059 -0.013 0.000 1.296 56 L HN 0.519 nan 8.230 nan 0.000 0.405 57 I N 5.341 125.954 120.570 0.071 0.000 2.354 57 I HA 0.445 4.615 4.170 -0.000 0.000 0.292 57 I C -0.658 175.220 176.117 -0.399 0.000 0.989 57 I CA -0.909 60.284 61.300 -0.178 0.000 1.188 57 I CB 1.851 39.636 38.000 -0.359 0.000 1.342 57 I HN 0.254 nan 8.210 nan 0.000 0.457 58 V N 7.288 126.923 119.914 -0.465 0.000 2.350 58 V HA 0.362 4.482 4.120 -0.000 0.000 0.276 58 V C -0.274 175.338 176.094 -0.803 0.000 1.028 58 V CA -0.326 61.638 62.300 -0.559 0.000 0.860 58 V CB 0.822 32.338 31.823 -0.513 0.000 0.990 58 V HN 0.403 nan 8.190 nan 0.000 0.453 59 F N 4.092 123.767 119.950 -0.458 0.000 2.458 59 F HA 0.582 5.109 4.527 -0.000 0.000 0.330 59 F C -0.010 175.467 175.800 -0.539 0.000 1.082 59 F CA -0.622 57.127 58.000 -0.417 0.000 0.995 59 F CB 1.747 40.655 39.000 -0.152 0.000 1.170 59 F HN 0.367 nan 8.300 nan 0.000 0.478 60 F N 3.621 123.744 119.950 0.287 0.000 2.334 60 F HA 0.280 4.807 4.527 -0.000 0.000 0.343 60 F C -1.636 174.309 175.800 0.241 0.000 1.136 60 F CA -1.813 56.328 58.000 0.235 0.000 1.237 60 F CB 0.241 39.373 39.000 0.220 0.000 1.525 60 F HN 0.268 nan 8.300 nan 0.000 0.528 61 P HA -0.132 nan 4.420 nan 0.000 0.219 61 P C 1.388 178.793 177.300 0.175 0.000 1.146 61 P CA 1.244 64.438 63.100 0.155 0.000 0.808 61 P CB 0.317 32.062 31.700 0.075 0.000 0.779 62 G N -1.686 107.249 108.800 0.226 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 -0.164 174.890 174.900 0.257 0.000 1.131 62 G CA -0.389 44.822 45.100 0.186 0.000 0.773 62 G HN 0.151 nan 8.290 nan 0.000 0.544 63 F N 3.172 123.256 119.950 0.223 0.000 2.571 63 F HA 0.285 4.812 4.527 -0.000 0.000 0.384 63 F C -1.594 174.356 175.800 0.250 0.000 1.058 63 F CA -2.446 55.687 58.000 0.222 0.000 1.200 63 F CB 1.107 40.242 39.000 0.225 0.000 1.077 63 F HN -0.053 nan 8.300 nan 0.000 0.558 64 P HA 0.318 nan 4.420 nan 0.000 0.238 64 P C -0.051 177.179 177.300 -0.116 0.000 1.794 64 P CA 0.359 63.405 63.100 -0.089 0.000 1.088 64 P CB 0.230 31.797 31.700 -0.221 0.000 1.923 65 G N 0.425 109.415 108.800 0.317 0.000 2.368 65 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.269 65 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.269 65 G C 0.222 175.380 174.900 0.430 0.000 1.291 65 G CA -0.352 44.900 45.100 0.253 0.000 0.903 65 G HN -0.041 nan 8.290 nan 0.000 0.483 66 S N -0.421 115.460 115.700 0.301 0.000 2.593 66 S HA 0.292 4.762 4.470 -0.000 0.000 0.217 66 S C 0.931 175.621 174.600 0.151 0.000 0.966 66 S CA 0.072 58.390 58.200 0.196 0.000 0.914 66 S CB -0.259 63.005 63.200 0.107 0.000 0.776 66 S HN 0.348 nan 8.310 nan 0.000 0.523 67 I N 1.317 121.870 120.570 -0.028 0.000 2.337 67 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 67 I C 0.832 176.927 176.117 -0.036 0.000 1.046 67 I CA -0.129 61.003 61.300 -0.279 0.000 1.324 67 I CB 1.450 38.912 38.000 -0.896 0.000 1.409 67 I HN -0.059 nan 8.210 nan 0.000 0.494 68 V N 5.326 125.341 119.914 0.170 0.000 2.922 68 V HA 0.435 4.555 4.120 -0.000 0.000 0.242 68 V C 0.944 177.276 176.094 0.397 0.000 1.094 68 V CA 1.057 63.547 62.300 0.316 0.000 1.106 68 V CB 0.414 32.424 31.823 0.312 0.000 0.799 68 V HN 0.961 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 0.661 4.621 3.960 -0.000 0.000 0.296 69 G HA3 0.661 4.621 3.960 -0.000 0.000 0.296 69 G C -1.840 173.031 174.900 -0.048 0.000 1.258 69 G CA 0.155 45.245 45.100 -0.018 0.000 0.868 69 G HN 0.656 nan 8.290 nan 0.000 0.488 70 A N -0.619 122.070 122.820 -0.217 0.000 2.549 70 A HA 0.789 5.109 4.320 -0.000 0.000 0.297 70 A C -1.283 176.129 177.584 -0.286 0.000 1.061 70 A CA -0.443 51.496 52.037 -0.163 0.000 0.690 70 A CB 1.542 20.555 19.000 0.023 0.000 1.287 70 A HN 1.199 nan 8.150 nan 0.000 0.402 71 H N 1.227 119.999 119.070 -0.497 0.000 2.466 71 H HA 0.645 5.201 4.556 -0.000 0.000 0.338 71 H C -1.798 173.232 175.328 -0.497 0.000 1.091 71 H CA -0.282 55.533 56.048 -0.388 0.000 1.207 71 H CB 0.902 30.485 29.762 -0.298 0.000 1.466 71 H HN 0.613 nan 8.280 nan 0.000 0.493 72 Y N 2.113 122.196 120.300 -0.363 0.000 2.425 72 Y HA 0.171 4.721 4.550 0.000 0.000 0.344 72 Y C 0.452 176.182 175.900 -0.283 0.000 0.969 72 Y CA -0.824 57.144 58.100 -0.220 0.000 1.052 72 Y CB 2.139 40.663 38.460 0.106 0.000 1.215 72 Y HN 0.582 nan 8.280 nan 0.000 0.451 73 T N 0.560 115.067 114.554 -0.078 0.000 2.922 73 T HA 0.571 4.921 4.350 -0.000 0.000 0.285 73 T C -0.762 173.982 174.700 0.072 0.000 1.005 73 T CA -0.755 61.343 62.100 -0.003 0.000 1.061 73 T CB 1.397 70.256 68.868 -0.015 0.000 1.007 73 T HN 0.459 nan 8.240 nan 0.000 0.502 74 L N 1.879 123.069 121.223 -0.054 0.000 2.334 74 L HA 0.445 4.785 4.340 -0.000 0.000 0.277 74 L C -0.054 176.717 176.870 -0.165 0.000 1.075 74 L CA -0.028 54.656 54.840 -0.260 0.000 0.804 74 L CB 1.140 42.985 42.059 -0.357 0.000 1.174 74 L HN 0.760 nan 8.230 nan 0.000 0.438 75 Q N 2.366 122.054 119.800 -0.187 0.000 2.297 75 Q HA 0.356 4.696 4.340 -0.000 0.000 0.269 75 Q C 0.922 176.855 176.000 -0.112 0.000 1.051 75 Q CA -0.175 55.562 55.803 -0.110 0.000 0.869 75 Q CB 1.456 30.148 28.738 -0.077 0.000 1.346 75 Q HN 0.900 nan 8.270 nan 0.000 0.457 76 G N 1.663 110.418 108.800 -0.075 0.000 2.556 76 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.220 76 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.220 76 G C 0.885 175.739 174.900 -0.076 0.000 1.156 76 G CA 1.436 46.496 45.100 -0.066 0.000 0.766 76 G HN 0.845 nan 8.290 nan 0.000 0.583 77 N N 0.818 119.471 118.700 -0.077 0.000 2.515 77 N HA 0.131 4.871 4.740 -0.000 0.000 0.191 77 N C 1.557 177.005 175.510 -0.104 0.000 1.182 77 N CA 1.023 54.026 53.050 -0.078 0.000 0.879 77 N CB 0.055 38.503 38.487 -0.064 0.000 0.984 77 N HN 0.589 nan 8.380 nan 0.000 0.453 78 G N 0.419 109.135 108.800 -0.141 0.000 2.176 78 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.253 78 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.253 78 G C -0.209 174.537 174.900 -0.256 0.000 0.979 78 G CA -0.191 44.795 45.100 -0.190 0.000 0.641 78 G HN 0.430 nan 8.290 nan 0.000 0.530 79 N N -0.134 118.438 118.700 -0.213 0.000 2.515 79 N HA 0.552 5.292 4.740 -0.000 0.000 0.279 79 N C -0.073 175.279 175.510 -0.264 0.000 1.164 79 N CA -0.251 52.678 53.050 -0.201 0.000 0.982 79 N CB 0.440 38.865 38.487 -0.103 0.000 1.170 79 N HN 0.233 nan 8.380 nan 0.000 0.474 80 Y N 0.284 120.517 120.300 -0.112 0.000 2.301 80 Y HA 0.239 4.789 4.550 -0.000 0.000 0.328 80 Y C 1.011 176.944 175.900 0.055 0.000 1.242 80 Y CA 0.099 58.182 58.100 -0.028 0.000 1.323 80 Y CB 1.016 39.434 38.460 -0.070 0.000 1.266 80 Y HN 0.194 nan 8.280 nan 0.000 0.527 81 K N 3.270 123.858 120.400 0.314 0.000 2.471 81 K HA 0.253 4.573 4.320 -0.000 0.000 0.252 81 K C -1.442 175.363 176.600 0.342 0.000 0.938 81 K CA -0.800 55.648 56.287 0.269 0.000 0.796 81 K CB 0.900 33.473 32.500 0.121 0.000 1.161 81 K HN 0.559 nan 8.250 nan 0.000 0.425 82 F N 3.828 123.922 119.950 0.239 0.000 2.607 82 F HA -0.028 4.499 4.527 -0.000 0.000 0.374 82 F C 0.885 176.618 175.800 -0.111 0.000 1.104 82 F CA 0.682 58.674 58.000 -0.013 0.000 1.296 82 F CB 0.805 39.823 39.000 0.030 0.000 1.085 82 F HN 0.818 nan 8.300 nan 0.000 0.584 83 D N 2.316 122.120 120.400 -0.992 0.000 2.805 83 D HA 0.108 4.748 4.640 -0.000 0.000 0.271 83 D C -0.622 174.996 176.300 -1.137 0.000 1.166 83 D CA 0.919 54.459 54.000 -0.767 0.000 1.004 83 D CB 0.221 40.759 40.800 -0.436 0.000 1.136 83 D HN 0.676 nan 8.370 nan 0.000 0.444 84 Q N -0.877 118.155 119.800 -1.281 0.000 2.578 84 Q HA 0.320 4.660 4.340 -0.000 0.000 0.284 84 Q C -1.097 174.639 176.000 -0.440 0.000 0.960 84 Q CA -1.035 54.281 55.803 -0.811 0.000 0.809 84 Q CB 1.098 29.636 28.738 -0.334 0.000 1.462 84 Q HN -0.047 nan 8.270 nan 0.000 0.392 85 M N 1.814 121.402 119.600 -0.019 0.000 2.243 85 M HA 0.355 4.835 4.480 -0.000 0.000 0.341 85 M C -0.521 175.650 176.300 -0.216 0.000 1.130 85 M CA -0.011 55.301 55.300 0.020 0.000 1.162 85 M CB 0.006 32.672 32.600 0.110 0.000 1.497 85 M HN 0.616 nan 8.290 nan 0.000 0.456 86 L N 4.701 125.775 121.223 -0.249 0.000 2.272 86 L HA 0.552 4.892 4.340 -0.000 0.000 0.289 86 L C -0.443 176.421 176.870 -0.009 0.000 1.032 86 L CA -0.373 54.189 54.840 -0.463 0.000 0.810 86 L CB 0.656 42.483 42.059 -0.386 0.000 1.205 86 L HN 0.563 nan 8.230 nan 0.000 0.422 87 L N 1.284 122.649 121.223 0.237 0.000 2.279 87 L HA 0.570 4.910 4.340 -0.000 0.000 0.262 87 L C 0.520 177.595 176.870 0.343 0.000 1.019 87 L CA -0.799 54.208 54.840 0.279 0.000 0.823 87 L CB 1.927 44.122 42.059 0.228 0.000 1.358 87 L HN 0.384 nan 8.230 nan 0.000 0.432 88 T N 0.267 114.969 114.554 0.246 0.000 2.903 88 T HA 0.091 4.441 4.350 -0.000 0.000 0.314 88 T C 1.140 175.932 174.700 0.153 0.000 1.078 88 T CA 0.517 62.745 62.100 0.214 0.000 1.114 88 T CB 1.400 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 2.652 125.538 122.820 0.111 0.000 1.908 89 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 89 A C 1.027 178.648 177.584 0.061 0.000 1.181 89 A CA 1.456 53.526 52.037 0.055 0.000 0.627 89 A CB -0.366 18.659 19.000 0.041 0.000 0.818 89 A HN 0.850 nan 8.150 nan 0.000 0.445 90 Q N -1.517 118.331 119.800 0.080 0.000 2.433 90 Q HA 0.491 4.831 4.340 -0.000 0.000 0.279 90 Q C -1.218 174.827 176.000 0.076 0.000 1.105 90 Q CA -0.981 54.865 55.803 0.072 0.000 0.815 90 Q CB 0.783 29.562 28.738 0.068 0.000 1.403 90 Q HN 0.136 nan 8.270 nan 0.000 0.435 91 N N 1.638 120.376 118.700 0.064 0.000 2.415 91 N HA 0.129 4.869 4.740 -0.000 0.000 0.250 91 N C 0.487 176.033 175.510 0.061 0.000 1.127 91 N CA -0.005 53.080 53.050 0.060 0.000 0.945 91 N CB 0.315 38.831 38.487 0.049 0.000 1.196 91 N HN 0.766 nan 8.380 nan 0.000 0.499 92 L N 4.490 125.745 121.223 0.053 0.000 2.043 92 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 92 L C -0.665 176.272 176.870 0.112 0.000 1.075 92 L CA 1.267 56.159 54.840 0.087 0.000 0.752 92 L CB -1.069 40.933 42.059 -0.094 0.000 0.891 92 L HN 0.520 nan 8.230 nan 0.000 0.432 93 P HA -0.129 nan 4.420 nan 0.000 0.228 93 P C 1.089 178.391 177.300 0.002 0.000 1.151 93 P CA 1.266 64.380 63.100 0.023 0.000 0.770 93 P CB -0.019 31.687 31.700 0.010 0.000 0.786 94 A N -1.292 121.531 122.820 0.005 0.000 2.119 94 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 94 A C 2.006 179.544 177.584 -0.077 0.000 1.152 94 A CA 1.531 53.553 52.037 -0.024 0.000 0.708 94 A CB -0.548 18.445 19.000 -0.011 0.000 0.805 94 A HN 0.140 nan 8.150 nan 0.000 0.460 95 S N -2.784 112.845 115.700 -0.118 0.000 2.631 95 S HA 0.338 4.808 4.470 -0.000 0.000 0.246 95 S C -0.414 173.831 174.600 -0.591 0.000 1.068 95 S CA -0.242 57.737 58.200 -0.368 0.000 0.995 95 S CB 0.149 63.058 63.200 -0.485 0.000 0.944 95 S HN 0.497 nan 8.310 nan 0.000 0.529 96 Y N 1.041 121.328 120.300 -0.022 0.000 2.536 96 Y HA 0.523 5.073 4.550 -0.000 0.000 0.347 96 Y C 0.716 176.588 175.900 -0.047 0.000 1.000 96 Y CA -1.073 57.020 58.100 -0.011 0.000 1.051 96 Y CB 1.050 39.508 38.460 -0.003 0.000 1.259 96 Y HN -0.147 nan 8.280 nan 0.000 0.468 97 N N -0.039 118.731 118.700 0.116 0.000 2.407 97 N HA 0.086 4.826 4.740 -0.000 0.000 0.182 97 N C -1.157 174.153 175.510 -0.334 0.000 1.079 97 N CA 0.522 53.497 53.050 -0.126 0.000 0.882 97 N CB 0.450 38.856 38.487 -0.135 0.000 1.106 97 N HN 0.531 nan 8.380 nan 0.000 0.461 98 Y N -1.024 119.352 120.300 0.128 0.000 2.545 98 Y HA 0.548 5.098 4.550 -0.000 0.000 0.348 98 Y C -0.160 175.868 175.900 0.214 0.000 1.002 98 Y CA -1.154 57.041 58.100 0.159 0.000 1.039 98 Y CB 2.213 40.777 38.460 0.173 0.000 1.271 98 Y HN -0.109 nan 8.280 nan 0.000 0.467 99 C N 2.423 121.934 119.300 0.352 0.000 3.284 99 C HA 0.846 5.306 4.460 -0.000 0.000 0.338 99 C C -1.800 173.168 174.990 -0.037 0.000 1.237 99 C CA -0.717 58.383 59.018 0.137 0.000 1.276 99 C CB 1.817 29.548 27.740 -0.015 0.000 1.601 99 C HN 1.031 nan 8.230 nan 0.000 0.494 100 R N 2.668 123.126 120.500 -0.069 0.000 2.548 100 R HA 0.662 5.002 4.340 -0.000 0.000 0.280 100 R C -1.746 174.607 176.300 0.088 0.000 1.061 100 R CA -0.647 55.374 56.100 -0.131 0.000 0.915 100 R CB 1.683 31.649 30.300 -0.557 0.000 1.210 100 R HN 0.817 nan 8.270 nan 0.000 0.442 101 L N 4.697 125.992 121.223 0.121 0.000 2.319 101 L HA 0.230 4.570 4.340 -0.000 0.000 0.280 101 L C 0.144 177.034 176.870 0.033 0.000 1.099 101 L CA 0.384 55.251 54.840 0.045 0.000 0.828 101 L CB 1.611 43.709 42.059 0.065 0.000 1.150 101 L HN 0.635 nan 8.230 nan 0.000 0.442 102 V N 2.548 122.439 119.914 -0.037 0.000 2.492 102 V HA 0.256 4.376 4.120 -0.000 0.000 0.241 102 V C 0.563 176.716 176.094 0.098 0.000 1.041 102 V CA 1.133 63.497 62.300 0.106 0.000 1.057 102 V CB 0.041 31.921 31.823 0.094 0.000 0.711 102 V HN 0.941 nan 8.190 nan 0.000 0.468 103 S N -0.302 115.362 115.700 -0.060 0.000 2.597 103 S HA 0.718 5.188 4.470 -0.000 0.000 0.274 103 S C -0.944 173.575 174.600 -0.135 0.000 1.132 103 S CA -0.915 57.240 58.200 -0.075 0.000 0.835 103 S CB 2.626 65.766 63.200 -0.101 0.000 1.092 103 S HN 0.486 nan 8.310 nan 0.000 0.457 104 R N 0.440 120.879 120.500 -0.103 0.000 2.579 104 R HA 0.671 5.011 4.340 -0.000 0.000 0.260 104 R C -1.685 174.545 176.300 -0.117 0.000 1.103 104 R CA -0.004 56.027 56.100 -0.114 0.000 0.942 104 R CB 1.711 31.950 30.300 -0.101 0.000 1.251 104 R HN 1.304 nan 8.270 nan 0.000 0.450 105 S N 3.971 119.591 115.700 -0.134 0.000 2.549 105 S HA 0.774 5.244 4.470 -0.000 0.000 0.280 105 S C -1.183 173.290 174.600 -0.211 0.000 1.109 105 S CA -0.806 57.277 58.200 -0.195 0.000 0.905 105 S CB 1.753 64.824 63.200 -0.217 0.000 1.081 105 S HN 0.433 nan 8.310 nan 0.000 0.477 106 L N 1.792 122.841 121.223 -0.291 0.000 2.409 106 L HA 0.746 5.086 4.340 -0.000 0.000 0.262 106 L C -0.353 176.384 176.870 -0.223 0.000 0.992 106 L CA -0.587 54.081 54.840 -0.287 0.000 0.817 106 L CB 2.861 44.572 42.059 -0.580 0.000 1.350 106 L HN 1.002 nan 8.230 nan 0.000 0.411 107 T N -0.672 113.816 114.554 -0.110 0.000 2.829 107 T HA 0.787 5.137 4.350 -0.000 0.000 0.280 107 T C -0.711 174.003 174.700 0.022 0.000 0.999 107 T CA -0.779 61.290 62.100 -0.052 0.000 0.983 107 T CB 1.745 70.591 68.868 -0.037 0.000 0.968 107 T HN 0.194 nan 8.240 nan 0.000 0.446 108 V N 4.489 124.435 119.914 0.055 0.000 2.444 108 V HA 0.780 4.900 4.120 -0.000 0.000 0.294 108 V C 0.021 176.142 176.094 0.045 0.000 1.022 108 V CA -0.842 61.507 62.300 0.081 0.000 0.850 108 V CB 1.037 32.953 31.823 0.156 0.000 0.992 108 V HN 1.143 nan 8.190 nan 0.000 0.426 109 R N 2.345 122.851 120.500 0.011 0.000 2.716 109 R HA 0.691 5.031 4.340 -0.000 0.000 0.271 109 R C -0.780 175.499 176.300 -0.035 0.000 1.028 109 R CA -0.666 55.434 56.100 -0.000 0.000 0.883 109 R CB 1.767 32.075 30.300 0.015 0.000 1.250 109 R HN 0.589 nan 8.270 nan 0.000 0.465 110 S N -0.049 115.631 115.700 -0.034 0.000 2.562 110 S HA 0.219 4.689 4.470 -0.000 0.000 0.275 110 S C 0.551 175.136 174.600 -0.026 0.000 1.281 110 S CA -0.013 58.158 58.200 -0.047 0.000 1.045 110 S CB 1.468 64.643 63.200 -0.041 0.000 0.962 110 S HN 0.821 nan 8.310 nan 0.000 0.503 111 S N 1.422 117.104 115.700 -0.029 0.000 2.604 111 S HA 0.319 4.789 4.470 -0.000 0.000 0.235 111 S C 0.339 174.930 174.600 -0.014 0.000 1.043 111 S CA -0.166 58.024 58.200 -0.017 0.000 0.997 111 S CB -0.022 63.168 63.200 -0.017 0.000 0.956 111 S HN 0.786 nan 8.310 nan 0.000 0.535 112 T N 2.142 116.685 114.554 -0.019 0.000 2.841 112 T HA 0.772 5.122 4.350 -0.000 0.000 0.296 112 T C -1.649 173.044 174.700 -0.012 0.000 1.166 112 T CA -0.880 61.212 62.100 -0.013 0.000 1.007 112 T CB 1.827 70.687 68.868 -0.013 0.000 1.253 112 T HN 0.623 nan 8.240 nan 0.000 0.511 113 L N -0.821 120.399 121.223 -0.006 0.000 2.666 113 L HA 0.800 5.140 4.340 -0.000 0.000 0.259 113 L C -3.000 173.870 176.870 -0.000 0.000 0.919 113 L CA -1.651 53.187 54.840 -0.003 0.000 0.927 113 L CB 0.314 42.373 42.059 -0.001 0.000 1.423 113 L HN 0.455 nan 8.230 nan 0.000 0.426 121 N N 1.110 119.821 118.700 0.019 0.000 2.610 121 N HA 0.546 5.286 4.740 -0.000 0.000 0.307 121 N C -0.072 175.455 175.510 0.028 0.000 1.813 121 N CA 0.880 53.940 53.050 0.018 0.000 0.901 121 N CB 1.223 39.716 38.487 0.010 0.000 1.354 121 N HN 0.609 nan 8.380 nan 0.000 0.491 122 G N -0.270 108.549 108.800 0.032 0.000 2.631 122 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.504 122 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.504 122 G C -0.651 174.291 174.900 0.070 0.000 1.306 122 G CA -0.390 44.735 45.100 0.042 0.000 0.897 122 G HN 0.560 nan 8.290 nan 0.000 0.520 123 T N -2.263 112.348 114.554 0.094 0.000 2.901 123 T HA 0.793 5.143 4.350 -0.000 0.000 0.293 123 T C -0.316 174.570 174.700 0.310 0.000 1.084 123 T CA -0.731 61.472 62.100 0.172 0.000 1.008 123 T CB 2.224 71.205 68.868 0.189 0.000 1.170 123 T HN 1.056 nan 8.240 nan 0.000 0.509 124 I N 1.850 122.611 120.570 0.318 0.000 2.498 124 I HA 0.450 4.620 4.170 -0.000 0.000 0.290 124 I C -0.863 175.355 176.117 0.169 0.000 1.032 124 I CA -0.968 60.529 61.300 0.328 0.000 1.073 124 I CB 2.077 40.206 38.000 0.215 0.000 1.251 124 I HN 0.560 nan 8.210 nan 0.000 0.426 125 N N 4.313 122.978 118.700 -0.059 0.000 2.361 125 N HA 0.824 5.564 4.740 -0.000 0.000 0.302 125 N C -1.105 174.321 175.510 -0.140 0.000 1.074 125 N CA -0.483 52.394 53.050 -0.288 0.000 0.850 125 N CB 2.288 40.285 38.487 -0.817 0.000 1.228 125 N HN 0.700 nan 8.380 nan 0.000 0.491 126 A N 0.706 123.474 122.820 -0.087 0.000 2.515 126 A HA 0.795 5.115 4.320 -0.000 0.000 0.298 126 A C -1.154 176.405 177.584 -0.042 0.000 1.059 126 A CA -0.591 51.426 52.037 -0.032 0.000 0.698 126 A CB 1.011 20.028 19.000 0.028 0.000 1.289 126 A HN 0.382 nan 8.150 nan 0.000 0.404 127 V N -1.109 118.792 119.914 -0.021 0.000 3.049 127 V HA 0.807 4.927 4.120 -0.000 0.000 0.309 127 V C -0.307 175.806 176.094 0.032 0.000 1.148 127 V CA -0.726 61.571 62.300 -0.006 0.000 0.990 127 V CB 1.610 33.435 31.823 0.003 0.000 1.039 127 V HN 0.808 nan 8.190 nan 0.000 0.430 128 T N 3.743 118.318 114.554 0.035 0.000 2.758 128 T HA 0.607 4.957 4.350 -0.000 0.000 0.285 128 T C -0.938 173.832 174.700 0.117 0.000 0.981 128 T CA 0.083 62.220 62.100 0.063 0.000 0.965 128 T CB 0.762 69.638 68.868 0.013 0.000 0.927 128 T HN 0.661 nan 8.240 nan 0.000 0.448 129 F N 2.737 122.677 119.950 -0.018 0.000 2.436 129 F HA 0.345 4.872 4.527 -0.000 0.000 0.340 129 F C 0.823 176.624 175.800 0.002 0.000 1.113 129 F CA -0.949 57.044 58.000 -0.012 0.000 1.022 129 F CB 1.462 40.454 39.000 -0.012 0.000 1.128 129 F HN 0.462 nan 8.300 nan 0.000 0.466 130 Q N 4.605 124.025 119.800 -0.633 0.000 2.404 130 Q HA 0.312 4.652 4.340 -0.000 0.000 0.272 130 Q C 0.034 175.614 176.000 -0.700 0.000 0.939 130 Q CA -0.125 55.371 55.803 -0.512 0.000 0.945 130 Q CB 0.012 28.546 28.738 -0.341 0.000 1.195 130 Q HN 0.888 nan 8.270 nan 0.000 0.415 131 G N -0.629 107.644 108.800 -0.877 0.000 2.645 131 G HA2 0.382 4.342 3.960 -0.000 0.000 0.292 131 G HA3 0.382 4.342 3.960 -0.000 0.000 0.292 131 G C -0.897 174.092 174.900 0.149 0.000 1.415 131 G CA -0.648 44.206 45.100 -0.409 0.000 0.785 131 G HN 0.207 nan 8.290 nan 0.000 0.483 132 S N -0.616 115.250 115.700 0.277 0.000 2.669 132 S HA 0.371 4.841 4.470 -0.000 0.000 0.270 132 S C 1.436 176.252 174.600 0.359 0.000 1.225 132 S CA -0.428 57.958 58.200 0.311 0.000 0.991 132 S CB 1.489 64.833 63.200 0.240 0.000 0.987 132 S HN 0.897 nan 8.310 nan 0.000 0.552 133 L N 1.748 123.133 121.223 0.271 0.000 2.021 133 L HA -0.150 4.190 4.340 -0.000 0.000 0.215 133 L C 2.544 179.477 176.870 0.105 0.000 1.074 133 L CA 2.708 57.627 54.840 0.131 0.000 0.760 133 L CB -1.494 40.618 42.059 0.089 0.000 0.889 133 L HN 0.992 nan 8.230 nan 0.000 0.433 134 S N -1.945 113.845 115.700 0.151 0.000 2.507 134 S HA -0.113 4.357 4.470 -0.000 0.000 0.235 134 S C 1.600 176.262 174.600 0.104 0.000 0.988 134 S CA 0.940 59.214 58.200 0.124 0.000 0.944 134 S CB -0.605 62.654 63.200 0.099 0.000 0.762 134 S HN 0.677 nan 8.310 nan 0.000 0.526 135 E N 0.435 120.733 120.200 0.163 0.000 2.371 135 E HA 0.215 4.565 4.350 -0.000 0.000 0.194 135 E C -0.161 176.471 176.600 0.055 0.000 1.012 135 E CA -0.150 56.374 56.400 0.207 0.000 0.860 135 E CB -0.084 29.853 29.700 0.395 0.000 0.811 135 E HN 0.522 nan 8.360 nan 0.000 0.502 136 L N 1.989 123.055 121.223 -0.260 0.000 2.513 136 L HA -0.043 4.297 4.340 -0.000 0.000 0.272 136 L C 1.776 178.521 176.870 -0.208 0.000 1.187 136 L CA 0.125 54.640 54.840 -0.543 0.000 0.895 136 L CB 0.728 42.430 42.059 -0.595 0.000 1.147 136 L HN 0.169 nan 8.230 nan 0.000 0.483 137 T N -1.873 112.584 114.554 -0.161 0.000 2.985 137 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 137 T C 0.435 175.094 174.700 -0.068 0.000 1.076 137 T CA 0.328 62.386 62.100 -0.070 0.000 1.135 137 T CB 0.121 68.970 68.868 -0.032 0.000 0.890 137 T HN 0.512 nan 8.240 nan 0.000 0.480 138 D N 0.777 121.121 120.400 -0.094 0.000 2.736 138 D HA 0.312 4.952 4.640 -0.000 0.000 0.243 138 D C 0.248 176.511 176.300 -0.063 0.000 1.304 138 D CA -0.689 53.277 54.000 -0.057 0.000 0.934 138 D CB 2.243 43.019 40.800 -0.041 0.000 1.382 138 D HN 0.098 nan 8.370 nan 0.000 0.571 139 V N 1.403 121.313 119.914 -0.006 0.000 3.276 139 V HA 0.299 4.419 4.120 -0.000 0.000 0.319 139 V C 0.773 176.939 176.094 0.120 0.000 1.427 139 V CA -0.033 62.281 62.300 0.024 0.000 1.102 139 V CB -0.485 31.386 31.823 0.080 0.000 1.020 139 V HN 0.453 nan 8.190 nan 0.000 0.456 140 S N -0.686 115.079 115.700 0.108 0.000 2.584 140 S HA 0.244 4.714 4.470 -0.000 0.000 0.270 140 S C 0.870 175.547 174.600 0.129 0.000 1.346 140 S CA 0.258 58.543 58.200 0.142 0.000 1.018 140 S CB 0.612 63.861 63.200 0.082 0.000 0.899 140 S HN 0.474 nan 8.310 nan 0.000 0.542 141 Y N 2.763 123.089 120.300 0.043 0.000 2.062 141 Y HA -0.320 4.230 4.550 -0.000 0.000 0.276 141 Y C 2.103 178.011 175.900 0.014 0.000 1.189 141 Y CA 2.723 60.837 58.100 0.023 0.000 1.130 141 Y CB -0.526 37.938 38.460 0.006 0.000 0.959 141 Y HN 0.723 nan 8.280 nan 0.000 0.499 142 N N -0.234 118.552 118.700 0.144 0.000 2.216 142 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 142 N C 2.028 177.524 175.510 -0.023 0.000 1.017 142 N CA 1.294 54.372 53.050 0.048 0.000 0.861 142 N CB -0.993 37.557 38.487 0.105 0.000 0.986 142 N HN 0.547 nan 8.380 nan 0.000 0.428 143 G N 1.714 110.510 108.800 -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 1.663 176.532 174.900 -0.052 0.000 1.140 143 G CA 0.158 45.245 45.100 -0.022 0.000 0.775 143 G HN 0.198 nan 8.290 nan 0.000 0.545 144 L N 0.145 121.321 121.223 -0.077 0.000 2.064 144 L HA -0.199 4.141 4.340 -0.000 0.000 0.216 144 L C 2.937 179.758 176.870 -0.081 0.000 1.077 144 L CA 1.177 55.958 54.840 -0.098 0.000 0.766 144 L CB -0.444 41.532 42.059 -0.138 0.000 0.890 144 L HN 0.214 nan 8.230 nan 0.000 0.435 145 M N -0.602 118.945 119.600 -0.089 0.000 2.530 145 M HA -0.115 4.365 4.480 -0.000 0.000 0.261 145 M C 1.721 177.998 176.300 -0.039 0.000 1.067 145 M CA 1.286 56.544 55.300 -0.071 0.000 1.071 145 M CB -0.963 31.593 32.600 -0.074 0.000 1.405 145 M HN 0.298 nan 8.290 nan 0.000 0.478 146 S N -1.142 114.541 115.700 -0.028 0.000 2.593 146 S HA 0.416 4.886 4.470 -0.000 0.000 0.236 146 S C 1.641 176.251 174.600 0.018 0.000 0.991 146 S CA 0.180 58.376 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 1.921 124.755 122.820 0.023 0.000 2.015 147 A HA 0.168 4.488 4.320 -0.000 0.000 0.219 147 A C 1.213 178.916 177.584 0.198 0.000 1.163 147 A CA 1.014 53.112 52.037 0.102 0.000 0.646 147 A CB -0.427 18.606 19.000 0.054 0.000 0.806 147 A HN 0.510 nan 8.150 nan 0.000 0.448 148 T N -3.720 110.893 114.554 0.098 0.000 2.906 148 T HA 0.628 4.978 4.350 -0.000 0.000 0.295 148 T C 0.664 175.373 174.700 0.015 0.000 1.075 148 T CA -0.137 61.996 62.100 0.055 0.000 1.005 148 T CB 1.877 70.757 68.868 0.021 0.000 1.136 148 T HN 0.303 nan 8.240 nan 0.000 0.498 149 A N 0.753 123.572 122.820 -0.001 0.000 2.132 149 A HA 0.211 4.531 4.320 -0.000 0.000 0.213 149 A C 0.718 178.283 177.584 -0.031 0.000 1.154 149 A CA -0.056 51.972 52.037 -0.015 0.000 0.753 149 A CB -0.729 18.262 19.000 -0.015 0.000 0.826 149 A HN 0.847 nan 8.150 nan 0.000 0.469 150 N N 0.472 119.149 118.700 -0.039 0.000 2.427 150 N HA 0.163 4.903 4.740 -0.000 0.000 0.269 150 N C 0.663 176.129 175.510 -0.073 0.000 1.235 150 N CA -0.394 52.621 53.050 -0.058 0.000 0.934 150 N CB 0.876 39.323 38.487 -0.067 0.000 1.121 150 N HN 0.255 nan 8.380 nan 0.000 0.480 151 I N 2.827 123.349 120.570 -0.079 0.000 2.454 151 I HA -0.208 3.962 4.170 -0.000 0.000 0.254 151 I C 1.067 177.102 176.117 -0.136 0.000 1.156 151 I CA 1.368 62.611 61.300 -0.093 0.000 1.433 151 I CB -0.090 37.860 38.000 -0.084 0.000 1.082 151 I HN 0.545 nan 8.210 nan 0.000 0.432 152 N N 0.471 119.074 118.700 -0.161 0.000 2.314 152 N HA 0.010 4.750 4.740 -0.000 0.000 0.200 152 N C 0.195 175.566 175.510 -0.233 0.000 1.135 152 N CA 0.383 53.289 53.050 -0.241 0.000 0.835 152 N CB 0.041 38.372 38.487 -0.261 0.000 0.989 152 N HN 0.413 nan 8.380 nan 0.000 0.478 153 D N 0.315 120.622 120.400 -0.156 0.000 2.479 153 D HA 0.077 4.717 4.640 -0.000 0.000 0.218 153 D C 0.087 176.334 176.300 -0.089 0.000 1.177 153 D CA 0.209 54.138 54.000 -0.118 0.000 0.830 153 D CB 0.882 41.636 40.800 -0.078 0.000 1.014 153 D HN 0.394 nan 8.370 nan 0.000 0.503 154 K N -0.065 120.271 120.400 -0.107 0.000 2.502 154 K HA 0.662 4.982 4.320 -0.000 0.000 0.257 154 K C -1.424 175.117 176.600 -0.098 0.000 0.938 154 K CA -0.894 55.343 56.287 -0.084 0.000 0.819 154 K CB 2.668 35.128 32.500 -0.066 0.000 1.333 154 K HN -0.178 nan 8.250 nan 0.000 0.434 155 I N 0.671 121.195 120.570 -0.077 0.000 2.656 155 I HA 0.527 4.697 4.170 -0.000 0.000 0.292 155 I C -1.217 174.871 176.117 -0.049 0.000 1.144 155 I CA -0.092 61.172 61.300 -0.061 0.000 1.038 155 I CB 2.462 40.435 38.000 -0.045 0.000 1.244 155 I HN 0.873 nan 8.210 nan 0.000 0.420 156 G N 4.222 113.003 108.800 -0.033 0.000 2.530 156 G HA2 0.423 4.383 3.960 -0.000 0.000 0.316 156 G HA3 0.423 4.383 3.960 -0.000 0.000 0.316 156 G C -0.511 174.405 174.900 0.026 0.000 1.298 156 G CA -0.461 44.622 45.100 -0.028 0.000 0.948 156 G HN 0.677 nan 8.290 nan 0.000 0.486 157 N N -0.201 118.540 118.700 0.070 0.000 2.738 157 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 157 N C 0.324 175.899 175.510 0.110 0.000 1.047 157 N CA 0.665 53.799 53.050 0.140 0.000 0.707 157 N CB -1.067 37.496 38.487 0.127 0.000 0.937 157 N HN 0.417 nan 8.380 nan 0.000 0.545 158 V N 1.146 121.124 119.914 0.106 0.000 2.555 158 V HA 0.103 4.223 4.120 -0.000 0.000 0.286 158 V C 1.462 177.621 176.094 0.108 0.000 1.044 158 V CA -0.507 61.851 62.300 0.097 0.000 1.026 158 V CB 0.986 32.866 31.823 0.095 0.000 0.981 158 V HN 0.173 nan 8.190 nan 0.000 0.480 159 L N 4.765 126.040 121.223 0.087 0.000 2.490 159 L HA 0.054 4.394 4.340 -0.000 0.000 0.274 159 L C 1.463 178.379 176.870 0.077 0.000 1.201 159 L CA -0.031 54.855 54.840 0.077 0.000 0.869 159 L CB 0.584 42.678 42.059 0.059 0.000 1.123 159 L HN 0.501 nan 8.230 nan 0.000 0.484 160 V N 3.430 123.388 119.914 0.074 0.000 2.490 160 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 160 V C 2.267 178.382 176.094 0.036 0.000 1.061 160 V CA 2.158 64.494 62.300 0.059 0.000 1.064 160 V CB -0.713 31.138 31.823 0.046 0.000 0.670 160 V HN 1.115 nan 8.190 nan 0.000 0.461 161 G N -0.690 108.130 108.800 0.033 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 1.554 176.473 174.900 0.032 0.000 1.146 161 G CA 0.971 46.085 45.100 0.025 0.000 0.769 161 G HN 0.574 nan 8.290 nan 0.000 0.547 162 E N 0.112 120.338 120.200 0.043 0.000 2.051 162 E HA 0.270 4.620 4.350 -0.000 0.000 0.189 162 E C 1.347 177.981 176.600 0.056 0.000 0.979 162 E CA 0.795 57.226 56.400 0.051 0.000 0.803 162 E CB -0.118 29.618 29.700 0.060 0.000 0.761 162 E HN 0.474 nan 8.360 nan 0.000 0.451 163 G N -0.092 108.746 108.800 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 -0.958 173.991 174.900 0.081 0.000 1.320 163 G CA -0.313 44.826 45.100 0.065 0.000 0.860 163 G HN 0.289 nan 8.290 nan 0.000 0.538 164 V N 0.208 120.170 119.914 0.080 0.000 2.769 164 V HA 0.826 4.946 4.120 -0.000 0.000 0.312 164 V C 0.330 176.452 176.094 0.046 0.000 1.061 164 V CA -0.102 62.252 62.300 0.089 0.000 0.931 164 V CB 2.368 34.254 31.823 0.104 0.000 1.010 164 V HN 1.169 nan 8.190 nan 0.000 0.433 165 T N 3.657 118.233 114.554 0.037 0.000 2.792 165 T HA 0.525 4.875 4.350 -0.000 0.000 0.280 165 T C -0.586 174.080 174.700 -0.056 0.000 0.990 165 T CA -0.309 61.719 62.100 -0.119 0.000 0.960 165 T CB 1.461 70.084 68.868 -0.408 0.000 0.939 165 T HN 0.340 nan 8.240 nan 0.000 0.439 166 V N 4.735 124.558 119.914 -0.153 0.000 2.383 166 V HA 0.485 4.605 4.120 -0.000 0.000 0.275 166 V C -0.361 175.627 176.094 -0.177 0.000 1.036 166 V CA -0.746 61.474 62.300 -0.134 0.000 0.889 166 V CB 1.229 32.889 31.823 -0.271 0.000 0.985 166 V HN 0.650 nan 8.190 nan 0.000 0.459 167 L N 4.914 126.108 121.223 -0.049 0.000 2.333 167 L HA 0.592 4.931 4.340 -0.000 0.000 0.280 167 L C 0.226 177.087 176.870 -0.015 0.000 1.004 167 L CA 0.239 55.052 54.840 -0.045 0.000 0.820 167 L CB 2.045 44.163 42.059 0.099 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 -0.038 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 0.001 0.000 1.195 168 S CA -0.522 57.668 58.200 -0.017 0.000 1.051 168 S CB -0.297 62.891 63.200 -0.019 0.000 0.948 168 S HN 0.605 nan 8.310 nan 0.000 0.493 169 L N 6.470 127.691 121.223 -0.003 0.000 2.331 169 L HA 0.569 4.909 4.340 -0.000 0.000 0.275 169 L C -1.756 175.088 176.870 -0.044 0.000 1.022 169 L CA -2.361 52.474 54.840 -0.008 0.000 0.812 169 L CB 1.511 43.560 42.059 -0.016 0.000 1.257 169 L HN 0.527 nan 8.230 nan 0.000 0.435 170 P HA 0.087 nan 4.420 nan 0.000 0.271 170 P C -0.576 176.580 177.300 -0.241 0.000 1.218 170 P CA -0.205 62.754 63.100 -0.235 0.000 0.780 170 P CB 0.673 32.036 31.700 -0.561 0.000 0.901 171 T N -2.116 112.286 114.554 -0.253 0.000 3.331 171 T HA 0.492 4.842 4.350 -0.000 0.000 0.381 171 T C -0.265 174.269 174.700 -0.277 0.000 1.656 171 T CA -0.680 61.290 62.100 -0.217 0.000 1.453 171 T CB -0.781 68.000 68.868 -0.146 0.000 1.066 171 T HN 0.626 nan 8.240 nan 0.000 0.655 172 S N 1.324 116.819 115.700 -0.342 0.000 2.912 172 S HA -0.103 4.367 4.470 -0.000 0.000 0.857 172 S C -0.779 173.565 174.600 -0.428 0.000 0.919 172 S CA -0.677 57.336 58.200 -0.311 0.000 1.424 172 S CB -1.027 62.041 63.200 -0.220 0.000 1.019 172 S HN 0.719 nan 8.310 nan 0.000 0.231 173 Y N 2.086 122.353 120.300 -0.055 0.000 2.645 173 Y HA 0.462 5.012 4.550 -0.000 0.000 0.341 173 Y C 1.326 177.188 175.900 -0.064 0.000 1.234 173 Y CA -0.254 57.810 58.100 -0.060 0.000 1.352 173 Y CB 0.432 38.858 38.460 -0.057 0.000 1.556 173 Y HN 0.773 nan 8.280 nan 0.000 0.607 174 D N 0.740 121.234 120.400 0.156 0.000 2.737 174 D HA -0.186 4.454 4.640 -0.000 0.000 0.233 174 D C -1.056 175.271 176.300 0.044 0.000 1.155 174 D CA 0.757 54.799 54.000 0.070 0.000 0.667 174 D CB -1.111 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 -0.111 121.134 121.223 0.037 0.000 2.417 175 L HA 0.401 4.741 4.340 -0.000 0.000 0.268 175 L C 1.829 178.779 176.870 0.132 0.000 1.158 175 L CA -0.126 54.725 54.840 0.018 0.000 0.819 175 L CB 0.834 42.847 42.059 -0.078 0.000 1.112 175 L HN 0.034 nan 8.230 nan 0.000 0.458 176 G N 0.571 109.517 108.800 0.243 0.000 2.606 176 G HA2 0.171 4.131 3.960 -0.000 0.000 0.252 176 G HA3 0.171 4.131 3.960 -0.000 0.000 0.252 176 G C -0.874 174.185 174.900 0.265 0.000 1.206 176 G CA -0.336 44.925 45.100 0.268 0.000 0.861 176 G HN 0.342 nan 8.290 nan 0.000 0.561 177 Y N -0.482 119.884 120.300 0.110 0.000 2.511 177 Y HA 0.233 4.783 4.550 -0.000 0.000 0.332 177 Y C 0.890 176.849 175.900 0.097 0.000 1.177 177 Y CA 0.213 58.376 58.100 0.104 0.000 1.422 177 Y CB 1.050 39.548 38.460 0.064 0.000 1.271 177 Y HN 0.150 nan 8.280 nan 0.000 0.550 178 V N 5.362 125.316 119.914 0.066 0.000 2.427 178 V HA 0.313 4.433 4.120 -0.000 0.000 0.286 178 V C 0.139 176.236 176.094 0.004 0.000 1.034 178 V CA -1.202 61.010 62.300 -0.148 0.000 0.893 178 V CB 1.369 32.869 31.823 -0.538 0.000 0.982 178 V HN 0.635 nan 8.190 nan 0.000 0.452 179 R N 3.841 124.302 120.500 -0.065 0.000 2.401 179 R HA 0.359 4.699 4.340 -0.000 0.000 0.299 179 R C -0.423 175.744 176.300 -0.222 0.000 1.064 179 R CA -0.312 55.601 56.100 -0.313 0.000 1.000 179 R CB 0.287 30.368 30.300 -0.365 0.000 0.973 179 R HN 0.622 nan 8.270 nan 0.000 0.438 180 L N 2.135 123.231 121.223 -0.212 0.000 2.479 180 L HA 0.236 4.576 4.340 -0.000 0.000 0.248 180 L C 1.496 178.309 176.870 -0.094 0.000 1.205 180 L CA -0.096 54.676 54.840 -0.113 0.000 0.817 180 L CB 0.543 42.561 42.059 -0.068 0.000 1.162 180 L HN 0.801 nan 8.230 nan 0.000 0.486 181 G N 0.212 108.992 108.800 -0.033 0.000 3.455 181 G HA2 0.041 4.001 3.960 -0.000 0.000 0.250 181 G HA3 0.041 4.001 3.960 -0.000 0.000 0.250 181 G C -0.059 174.819 174.900 -0.036 0.000 1.071 181 G CA -0.405 44.678 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 0.134 4.774 4.640 -0.000 0.000 0.245 182 D C -2.471 173.800 176.300 -0.049 0.000 1.120 182 D CA -1.549 52.416 54.000 -0.058 0.000 0.890 182 D CB 1.878 42.629 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 0.833 32.520 31.700 -0.021 0.000 0.858 184 I N 5.047 125.600 120.570 -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 -3.104 58.180 61.300 -0.027 0.000 1.127 184 I CB 1.242 39.225 38.000 -0.028 0.000 1.304 184 I HN 0.209 nan 8.210 nan 0.000 0.446 185 P HA 0.438 nan 4.420 nan 0.000 0.267 185 P C -1.551 175.742 177.300 -0.011 0.000 1.209 185 P CA -0.156 62.936 63.100 -0.014 0.000 0.763 185 P CB 0.481 32.174 31.700 -0.012 0.000 0.816 186 A N 3.449 126.263 122.820 -0.010 0.000 2.566 186 A HA 0.692 5.012 4.320 -0.000 0.000 0.297 186 A C -0.800 176.780 177.584 -0.007 0.000 1.059 186 A CA -0.693 51.339 52.037 -0.008 0.000 0.691 186 A CB 0.976 19.970 19.000 -0.009 0.000 1.282 186 A HN 0.567 nan 8.150 nan 0.000 0.401 187 I N -0.541 120.026 120.570 -0.006 0.000 2.646 187 I HA 1.008 5.178 4.170 -0.000 0.000 0.299 187 I C 0.115 176.229 176.117 -0.004 0.000 1.036 187 I CA -0.869 60.428 61.300 -0.005 0.000 1.074 187 I CB 2.441 40.438 38.000 -0.004 0.000 1.258 187 I HN 0.976 nan 8.210 nan 0.000 0.430 188 G N 3.814 112.612 108.800 -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 -0.205 174.693 174.900 -0.002 0.000 1.450 188 G CA -0.878 44.221 45.100 -0.003 0.000 0.837 188 G HN 0.727 nan 8.290 nan 0.000 0.505 189 L N -0.349 120.873 121.223 -0.002 0.000 2.201 189 L HA 0.056 4.396 4.340 -0.000 0.000 0.212 189 L C 0.825 177.694 176.870 -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 0.381 nan 8.230 nan 0.000 0.440 190 D N -0.292 120.107 120.400 -0.001 0.000 2.295 190 D HA 0.116 4.756 4.640 -0.000 0.000 0.248 190 D C -1.534 174.766 176.300 -0.000 0.000 1.154 190 D CA -2.012 51.987 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 -0.170 nan 8.370 nan 0.000 0.468 191 P HA -0.143 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 1.341 64.441 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 -1.404 118.998 120.400 0.002 0.000 2.504 192 K HA 0.126 4.446 4.320 -0.000 0.000 0.199 192 K C 0.756 177.358 176.600 0.003 0.000 1.028 192 K CA -0.245 56.044 56.287 0.004 0.000 1.164 192 K CB -0.295 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 1.954 121.554 119.600 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 0.343 55.643 55.300 -0.000 0.000 1.115 193 M CB 0.697 33.296 32.600 -0.002 0.000 1.664 193 M HN -0.207 nan 8.290 nan 0.000 0.459 194 V N 4.650 124.564 119.914 -0.001 0.000 2.623 194 V HA 0.729 4.849 4.120 -0.000 0.000 0.304 194 V C -0.693 175.399 176.094 -0.005 0.000 1.054 194 V CA -0.836 61.464 62.300 -0.001 0.000 0.882 194 V CB 1.698 33.522 31.823 0.002 0.000 1.002 194 V HN 0.951 nan 8.190 nan 0.000 0.424 195 A N 3.428 126.242 122.820 -0.009 0.000 2.357 195 A HA 0.913 5.233 4.320 -0.000 0.000 0.295 195 A C -0.126 177.447 177.584 -0.020 0.000 1.121 195 A CA -0.283 51.746 52.037 -0.014 0.000 0.742 195 A CB 1.500 20.492 19.000 -0.014 0.000 1.181 195 A HN 0.946 nan 8.150 nan 0.000 0.454 196 T N -1.918 112.621 114.554 -0.025 0.000 2.907 196 T HA 0.608 4.958 4.350 -0.000 0.000 0.290 196 T C -0.644 174.026 174.700 -0.050 0.000 1.066 196 T CA -0.793 61.287 62.100 -0.034 0.000 1.012 196 T CB 1.463 70.315 68.868 -0.027 0.000 1.184 196 T HN 1.048 nan 8.240 nan 0.000 0.522 197 C N 2.317 121.578 119.300 -0.066 0.000 2.293 197 C HA 0.644 5.104 4.460 -0.000 0.000 0.323 197 C C -0.847 174.082 174.990 -0.100 0.000 1.240 197 C CA -0.478 58.489 59.018 -0.085 0.000 1.497 197 C CB -1.058 26.625 27.740 -0.095 0.000 2.171 197 C HN 0.882 nan 8.230 nan 0.000 0.465 198 D N 2.926 123.268 120.400 -0.097 0.000 2.277 198 D HA 0.307 4.947 4.640 -0.000 0.000 0.250 198 D C -0.051 176.201 176.300 -0.080 0.000 1.032 198 D CA 0.004 53.956 54.000 -0.080 0.000 0.947 198 D CB 1.566 42.325 40.800 -0.070 0.000 1.159 198 D HN 0.551 nan 8.370 nan 0.000 0.460 199 S N 0.047 115.709 115.700 -0.063 0.000 2.629 199 S HA 0.118 4.588 4.470 -0.000 0.000 0.302 199 S C 1.062 175.658 174.600 -0.006 0.000 1.244 199 S CA -0.110 58.046 58.200 -0.073 0.000 1.098 199 S CB 0.137 63.274 63.200 -0.105 0.000 0.858 199 S HN 0.524 nan 8.310 nan 0.000 0.502 200 S N 1.246 116.945 115.700 -0.001 0.000 3.019 200 S HA 0.120 4.590 4.470 -0.000 0.000 0.258 200 S C -0.367 174.277 174.600 0.075 0.000 1.082 200 S CA -0.534 57.695 58.200 0.049 0.000 0.836 200 S CB -0.448 62.749 63.200 -0.006 0.000 0.834 200 S HN 0.571 nan 8.310 nan 0.000 0.457 201 D N 3.444 123.881 120.400 0.061 0.000 2.525 201 D HA 0.244 4.884 4.640 -0.000 0.000 0.235 201 D C 0.113 176.484 176.300 0.119 0.000 1.137 201 D CA 0.616 54.672 54.000 0.093 0.000 0.868 201 D CB -0.055 40.815 40.800 0.115 0.000 1.180 201 D HN 0.176 nan 8.370 nan 0.000 0.465 202 R N -0.432 120.132 120.500 0.106 0.000 3.125 202 R HA -0.101 4.239 4.340 -0.000 0.000 0.258 202 R C -2.483 173.862 176.300 0.075 0.000 0.968 202 R CA -0.032 56.124 56.100 0.094 0.000 0.656 202 R CB -1.843 28.544 30.300 0.145 0.000 1.251 202 R HN 0.453 nan 8.270 nan 0.000 0.428 203 P HA 0.088 nan 4.420 nan 0.000 0.272 203 P C -0.280 177.006 177.300 -0.023 0.000 1.230 203 P CA -0.128 62.994 63.100 0.036 0.000 0.788 203 P CB 0.742 32.472 31.700 0.050 0.000 0.949 204 R N 1.138 121.599 120.500 -0.064 0.000 2.407 204 R HA 0.526 4.866 4.340 -0.000 0.000 0.303 204 R C -1.379 174.795 176.300 -0.210 0.000 0.981 204 R CA -0.739 55.264 56.100 -0.161 0.000 0.905 204 R CB 0.913 31.100 30.300 -0.188 0.000 1.099 204 R HN 0.259 nan 8.270 nan 0.000 0.459 205 V N 5.421 125.175 119.914 -0.267 0.000 2.531 205 V HA 0.367 4.487 4.120 -0.000 0.000 0.301 205 V C -1.218 174.701 176.094 -0.292 0.000 1.034 205 V CA -0.703 61.477 62.300 -0.199 0.000 0.865 205 V CB 1.489 33.253 31.823 -0.099 0.000 0.995 205 V HN 0.690 nan 8.190 nan 0.000 0.424 206 Y N 1.807 122.086 120.300 -0.035 0.000 2.342 206 Y HA 0.604 5.154 4.550 -0.000 0.000 0.334 206 Y C 0.748 176.609 175.900 -0.064 0.000 1.067 206 Y CA -0.521 57.554 58.100 -0.040 0.000 1.128 206 Y CB 2.057 40.499 38.460 -0.029 0.000 1.200 206 Y HN 0.497 nan 8.280 nan 0.000 0.464 207 T N 5.159 119.758 114.554 0.076 0.000 2.786 207 T HA 0.580 4.930 4.350 -0.000 0.000 0.283 207 T C -0.586 174.068 174.700 -0.077 0.000 0.992 207 T CA -0.521 61.567 62.100 -0.020 0.000 0.954 207 T CB 0.332 69.179 68.868 -0.036 0.000 0.934 207 T HN 0.379 nan 8.240 nan 0.000 0.440 208 I N 2.874 123.338 120.570 -0.177 0.000 2.411 208 I HA 0.247 4.417 4.170 -0.000 0.000 0.284 208 I C 0.239 176.145 176.117 -0.351 0.000 1.012 208 I CA -0.636 60.465 61.300 -0.331 0.000 1.119 208 I CB 1.731 39.375 38.000 -0.593 0.000 1.261 208 I HN 0.477 nan 8.210 nan 0.000 0.448 209 T N 5.769 120.165 114.554 -0.262 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 -0.254 0.000 0.973 209 T CA -0.234 61.739 62.100 -0.210 0.000 0.994 209 T CB 1.082 69.876 68.868 -0.123 0.000 0.961 209 T HN 0.752 nan 8.240 nan 0.000 0.552 210 A N 2.920 125.556 122.820 -0.307 0.000 2.014 210 A HA 0.565 4.885 4.320 -0.000 0.000 0.218 210 A C 1.209 178.759 177.584 -0.057 0.000 1.163 210 A CA 0.577 52.463 52.037 -0.252 0.000 0.652 210 A CB 0.110 19.034 19.000 -0.128 0.000 0.808 210 A HN 0.892 nan 8.150 nan 0.000 0.449 211 A N -0.847 121.948 122.820 -0.042 0.000 2.555 211 A HA 0.541 4.861 4.320 -0.000 0.000 0.297 211 A C -2.006 175.596 177.584 0.030 0.000 1.060 211 A CA -0.352 51.712 52.037 0.045 0.000 0.710 211 A CB 1.034 20.104 19.000 0.116 0.000 1.282 211 A HN 0.025 nan 8.150 nan 0.000 0.399 212 D N 2.176 122.619 120.400 0.073 0.000 2.375 212 D HA 0.431 5.071 4.640 -0.000 0.000 0.259 212 D C -0.778 175.574 176.300 0.086 0.000 1.235 212 D CA 0.253 54.284 54.000 0.051 0.000 0.924 212 D CB 0.469 41.286 40.800 0.029 0.000 1.143 212 D HN 0.472 nan 8.370 nan 0.000 0.529 213 D N 2.083 122.533 120.400 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 54.636 54.000 0.094 0.000 0.645 213 D CB -1.794 39.039 40.800 0.055 0.000 1.039 213 D HN 0.453 nan 8.370 nan 0.000 0.423 214 Y N 1.318 121.677 120.300 0.099 0.000 2.537 214 Y HA 0.135 4.685 4.550 -0.000 0.000 0.339 214 Y C 0.504 176.494 175.900 0.151 0.000 1.066 214 Y CA -0.100 58.076 58.100 0.126 0.000 1.357 214 Y CB 0.513 39.075 38.460 0.170 0.000 1.175 214 Y HN -0.018 nan 8.280 nan 0.000 0.525 215 Q N 7.382 126.793 119.800 -0.648 0.000 2.288 215 Q HA 0.157 4.497 4.340 -0.000 0.000 0.258 215 Q C -1.193 174.206 176.000 -1.002 0.000 0.957 215 Q CA -0.253 55.203 55.803 -0.578 0.000 0.919 215 Q CB 1.460 29.991 28.738 -0.346 0.000 1.185 215 Q HN 0.752 nan 8.270 nan 0.000 0.408 216 F N 1.210 120.618 119.950 -0.903 0.000 2.469 216 F HA 0.510 5.037 4.527 -0.000 0.000 0.332 216 F C -0.586 174.851 175.800 -0.604 0.000 1.103 216 F CA -0.516 56.931 58.000 -0.920 0.000 0.979 216 F CB 1.780 39.737 39.000 -1.738 0.000 1.137 216 F HN 0.372 nan 8.300 nan 0.000 0.463 217 S N 4.053 118.990 115.700 -1.271 0.000 2.603 217 S HA 0.671 5.141 4.470 -0.000 0.000 0.274 217 S C -1.459 172.597 174.600 -0.907 0.000 1.168 217 S CA -0.387 57.292 58.200 -0.867 0.000 0.963 217 S CB 1.231 64.161 63.200 -0.449 0.000 1.078 217 S HN 0.950 nan 8.310 nan 0.000 0.477 218 S N 2.788 118.105 115.700 -0.638 0.000 2.565 218 S HA 0.402 4.872 4.470 -0.000 0.000 0.274 218 S C -1.831 172.697 174.600 -0.121 0.000 1.144 218 S CA -0.617 57.363 58.200 -0.368 0.000 0.849 218 S CB 1.436 64.407 63.200 -0.382 0.000 1.103 218 S HN 0.747 nan 8.310 nan 0.000 0.455 219 Q N 1.590 121.360 119.800 -0.051 0.000 2.354 219 Q HA 0.205 4.545 4.340 -0.000 0.000 0.244 219 Q C -0.730 175.328 176.000 0.097 0.000 0.969 219 Q CA -0.213 55.607 55.803 0.029 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 1.822 122.139 120.300 0.029 0.000 2.788 220 Y HA -0.079 4.471 4.550 -0.000 0.000 0.341 220 Y C -0.489 175.439 175.900 0.045 0.000 1.258 220 Y CA 0.641 58.771 58.100 0.049 0.000 1.503 220 Y CB 0.464 38.948 38.460 0.041 0.000 1.325 220 Y HN 0.482 nan 8.280 nan 0.000 0.614 221 Q N 6.938 126.236 119.800 -0.836 0.000 2.268 221 Q HA 0.419 4.759 4.340 -0.000 0.000 0.266 221 Q C -2.964 172.467 176.000 -0.949 0.000 1.006 221 Q CA -2.543 52.789 55.803 -0.785 0.000 0.824 221 Q CB 2.046 30.621 28.738 -0.272 0.000 1.306 221 Q HN 0.415 nan 8.270 nan 0.000 0.424 222 P HA 0.147 nan 4.420 nan 0.000 0.263 222 P C 0.517 177.735 177.300 -0.137 0.000 1.195 222 P CA 1.352 64.295 63.100 -0.261 0.000 0.762 222 P CB 0.748 32.381 31.700 -0.111 0.000 0.799 223 G N 2.160 110.934 108.800 -0.044 0.000 2.268 223 G HA2 0.008 3.968 3.960 -0.000 0.000 0.240 223 G HA3 0.008 3.968 3.960 -0.000 0.000 0.240 223 G C 0.463 175.359 174.900 -0.007 0.000 1.010 223 G CA 0.231 45.321 45.100 -0.018 0.000 0.618 223 G HN 1.068 nan 8.290 nan 0.000 0.516 224 G N -2.280 106.501 108.800 -0.032 0.000 2.566 224 G HA2 0.321 4.281 3.960 -0.000 0.000 0.599 224 G HA3 0.321 4.281 3.960 -0.000 0.000 0.599 224 G C -0.590 174.329 174.900 0.031 0.000 1.292 224 G CA 0.085 45.199 45.100 0.023 0.000 0.922 224 G HN 1.549 nan 8.290 nan 0.000 0.514 225 V N 0.838 120.814 119.914 0.103 0.000 2.407 225 V HA 0.650 4.770 4.120 -0.000 0.000 0.291 225 V C 0.416 176.599 176.094 0.149 0.000 1.018 225 V CA -0.225 62.163 62.300 0.145 0.000 0.842 225 V CB 1.577 33.554 31.823 0.257 0.000 0.996 225 V HN 0.999 nan 8.190 nan 0.000 0.426 226 T N 6.875 121.496 114.554 0.112 0.000 2.799 226 T HA 0.727 5.077 4.350 -0.000 0.000 0.286 226 T C -0.182 174.593 174.700 0.126 0.000 0.973 226 T CA -0.084 62.074 62.100 0.097 0.000 1.035 226 T CB 0.883 69.789 68.868 0.064 0.000 0.932 226 T HN 0.650 nan 8.240 nan 0.000 0.469 227 I N -0.684 119.967 120.570 0.136 0.000 2.785 227 I HA 0.665 4.835 4.170 -0.000 0.000 0.302 227 I C -0.453 175.724 176.117 0.101 0.000 1.069 227 I CA -0.935 60.456 61.300 0.152 0.000 1.045 227 I CB 2.343 40.495 38.000 0.253 0.000 1.236 227 I HN 0.300 nan 8.210 nan 0.000 0.429 228 T N 4.964 119.557 114.554 0.064 0.000 2.832 228 T HA 0.242 4.592 4.350 -0.000 0.000 0.313 228 T C 0.732 175.441 174.700 0.014 0.000 1.035 228 T CA -0.271 61.835 62.100 0.010 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 4.516 125.754 121.223 0.025 0.000 2.046 229 L HA 0.240 4.580 4.340 -0.000 0.000 0.208 229 L C 0.216 177.156 176.870 0.117 0.000 1.077 229 L CA 1.759 56.642 54.840 0.072 0.000 0.747 229 L CB -0.277 41.895 42.059 0.189 0.000 0.896 229 L HN 0.710 nan 8.230 nan 0.000 0.432 230 F N -3.279 116.666 119.950 -0.008 0.000 2.713 230 F HA 0.651 5.178 4.527 -0.000 0.000 0.311 230 F C -0.723 175.071 175.800 -0.010 0.000 1.141 230 F CA -0.905 57.078 58.000 -0.027 0.000 0.939 230 F CB 0.741 39.714 39.000 -0.044 0.000 1.325 230 F HN -0.304 nan 8.300 nan 0.000 0.453 231 S N 1.161 116.981 115.700 0.200 0.000 2.575 231 S HA 0.894 5.364 4.470 -0.000 0.000 0.278 231 S C -1.529 173.195 174.600 0.206 0.000 1.139 231 S CA 0.090 58.347 58.200 0.095 0.000 0.954 231 S CB 1.262 64.463 63.200 0.001 0.000 1.054 231 S HN 1.683 nan 8.310 nan 0.000 0.483 232 A N 3.858 126.782 122.820 0.173 0.000 2.455 232 A HA 0.706 5.026 4.320 -0.000 0.000 0.300 232 A C -1.189 176.382 177.584 -0.022 0.000 1.040 232 A CA -0.888 51.197 52.037 0.079 0.000 0.697 232 A CB 1.063 20.109 19.000 0.076 0.000 1.265 232 A HN 0.715 nan 8.150 nan 0.000 0.407 233 N N 1.464 120.133 118.700 -0.052 0.000 2.442 233 N HA 0.524 5.264 4.740 -0.000 0.000 0.265 233 N C -0.211 175.166 175.510 -0.221 0.000 1.138 233 N CA 0.280 53.284 53.050 -0.077 0.000 0.956 233 N CB 0.509 38.985 38.487 -0.018 0.000 1.067 233 N HN 0.745 nan 8.380 nan 0.000 0.474 234 I N -2.159 118.257 120.570 -0.257 0.000 3.264 234 I HA 0.616 4.786 4.170 -0.000 0.000 0.315 234 I C -1.059 175.007 176.117 -0.085 0.000 1.154 234 I CA -0.963 60.042 61.300 -0.493 0.000 0.962 234 I CB 2.671 40.211 38.000 -0.767 0.000 1.265 234 I HN 0.028 nan 8.210 nan 0.000 0.463 235 D N 2.059 122.519 120.400 0.099 0.000 2.646 235 D HA 0.720 5.360 4.640 -0.000 0.000 0.245 235 D C -1.174 175.211 176.300 0.142 0.000 1.099 235 D CA -0.228 53.860 54.000 0.146 0.000 0.849 235 D CB 2.398 43.315 40.800 0.194 0.000 1.448 235 D HN 0.905 nan 8.370 nan 0.000 0.489 236 A N 1.989 124.858 122.820 0.081 0.000 2.517 236 A HA 0.527 4.847 4.320 -0.000 0.000 0.297 236 A C -0.200 177.388 177.584 0.006 0.000 1.050 236 A CA -0.517 51.554 52.037 0.056 0.000 0.694 236 A CB 0.914 19.947 19.000 0.054 0.000 1.277 236 A HN 0.551 nan 8.150 nan 0.000 0.400 237 I N 0.530 121.088 120.570 -0.020 0.000 4.124 237 I HA 0.119 4.289 4.170 -0.000 0.000 0.311 237 I C 1.264 177.371 176.117 -0.018 0.000 1.259 237 I CA 1.074 62.322 61.300 -0.086 0.000 1.315 237 I CB 0.660 38.511 38.000 -0.248 0.000 1.223 237 I HN 0.792 nan 8.210 nan 0.000 0.441 238 T N -1.464 113.118 114.554 0.046 0.000 2.762 238 T HA 0.410 4.760 4.350 -0.000 0.000 0.272 238 T C 0.318 175.069 174.700 0.085 0.000 0.982 238 T CA -0.493 61.653 62.100 0.076 0.000 1.013 238 T CB 1.165 70.108 68.868 0.125 0.000 1.309 238 T HN 0.125 nan 8.240 nan 0.000 0.572 239 S N 0.622 116.390 115.700 0.113 0.000 2.558 239 S HA 0.369 4.839 4.470 -0.000 0.000 0.291 239 S C 0.045 174.757 174.600 0.186 0.000 1.306 239 S CA -0.424 57.871 58.200 0.158 0.000 1.056 239 S CB -0.982 62.331 63.200 0.188 0.000 0.836 239 S HN 1.188 nan 8.310 nan 0.000 0.504 240 L N -0.512 120.782 121.223 0.119 0.000 2.491 240 L HA 0.951 5.291 4.340 -0.000 0.000 0.254 240 L C -0.652 176.225 176.870 0.012 0.000 1.048 240 L CA -1.009 53.801 54.840 -0.051 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 -0.214 115.449 115.700 -0.062 0.000 2.569 241 S HA 0.887 5.357 4.470 -0.000 0.000 0.280 241 S C -1.077 173.549 174.600 0.043 0.000 1.111 241 S CA -0.686 57.543 58.200 0.048 0.000 0.887 241 S CB 1.977 65.252 63.200 0.124 0.000 1.095 241 S HN 0.661 nan 8.310 nan 0.000 0.476 242 V N 1.496 121.463 119.914 0.089 0.000 2.487 242 V HA 0.845 4.965 4.120 -0.000 0.000 0.298 242 V C 0.697 176.875 176.094 0.140 0.000 1.028 242 V CA 0.005 62.370 62.300 0.108 0.000 0.860 242 V CB 1.201 33.122 31.823 0.163 0.000 0.991 242 V HN 1.249 nan 8.190 nan 0.000 0.427 243 G N 1.782 110.637 108.800 0.093 0.000 2.714 243 G HA2 0.908 4.868 3.960 -0.000 0.000 0.292 243 G HA3 0.908 4.868 3.960 -0.000 0.000 0.292 243 G C -0.145 174.789 174.900 0.057 0.000 1.308 243 G CA -0.222 44.942 45.100 0.107 0.000 0.964 243 G HN 1.491 nan 8.290 nan 0.000 0.484 244 G N -1.147 107.704 108.800 0.084 0.000 2.422 244 G HA2 0.350 4.310 3.960 -0.000 0.000 0.607 244 G HA3 0.350 4.310 3.960 -0.000 0.000 0.607 244 G C -0.974 174.011 174.900 0.143 0.000 1.270 244 G CA 0.069 45.188 45.100 0.032 0.000 0.992 244 G HN 0.939 nan 8.290 nan 0.000 0.499 245 E N -1.163 119.087 120.200 0.084 0.000 2.354 245 E HA 0.548 4.898 4.350 -0.000 0.000 0.283 245 E C -0.958 175.698 176.600 0.095 0.000 0.938 245 E CA -0.765 55.745 56.400 0.184 0.000 0.777 245 E CB 1.566 31.332 29.700 0.111 0.000 1.222 245 E HN 0.605 nan 8.360 nan 0.000 0.423 246 L N 2.948 124.280 121.223 0.182 0.000 2.325 246 L HA 0.636 4.976 4.340 -0.000 0.000 0.278 246 L C -0.665 176.148 176.870 -0.095 0.000 1.023 246 L CA -1.112 53.710 54.840 -0.030 0.000 0.811 246 L CB 1.789 43.825 42.059 -0.037 0.000 1.249 246 L HN 0.297 nan 8.230 nan 0.000 0.431 247 V N 2.577 122.332 119.914 -0.265 0.000 2.448 247 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 247 V C -0.695 175.199 176.094 -0.334 0.000 1.025 247 V CA -0.441 61.766 62.300 -0.155 0.000 0.859 247 V CB 1.627 33.413 31.823 -0.060 0.000 0.988 247 V HN 0.371 nan 8.190 nan 0.000 0.431 248 F N 4.333 124.270 119.950 -0.022 0.000 2.469 248 F HA 0.716 5.243 4.527 -0.000 0.000 0.332 248 F C 0.558 176.377 175.800 0.031 0.000 1.103 248 F CA -0.686 57.299 58.000 -0.026 0.000 0.979 248 F CB 1.688 40.574 39.000 -0.191 0.000 1.137 248 F HN 0.252 nan 8.300 nan 0.000 0.463 249 R N 1.140 121.796 120.500 0.261 0.000 2.803 249 R HA 0.759 5.099 4.340 -0.000 0.000 0.276 249 R C -0.831 175.608 176.300 0.232 0.000 0.978 249 R CA -0.808 55.404 56.100 0.188 0.000 0.939 249 R CB 2.156 32.534 30.300 0.130 0.000 1.179 249 R HN 0.693 nan 8.270 nan 0.000 0.472 250 T N -1.037 113.605 114.554 0.148 0.000 2.885 250 T HA 0.230 4.580 4.350 -0.000 0.000 0.322 250 T C -0.006 174.710 174.700 0.027 0.000 1.387 250 T CA -0.404 61.775 62.100 0.132 0.000 1.041 250 T CB 1.429 70.403 68.868 0.177 0.000 1.287 250 T HN 0.453 nan 8.240 nan 0.000 0.491 251 S N 0.937 116.641 115.700 0.007 0.000 2.511 251 S HA 0.245 4.715 4.470 -0.000 0.000 0.214 251 S C 0.400 174.917 174.600 -0.139 0.000 0.997 251 S CA -0.127 58.037 58.200 -0.059 0.000 0.908 251 S CB 0.364 63.555 63.200 -0.015 0.000 0.803 251 S HN 0.592 nan 8.310 nan 0.000 0.504 252 V N 3.793 123.659 119.914 -0.080 0.000 2.439 252 V HA 0.298 4.418 4.120 -0.000 0.000 0.282 252 V C 0.028 176.056 176.094 -0.109 0.000 1.039 252 V CA -0.828 61.439 62.300 -0.054 0.000 0.913 252 V CB 0.646 32.498 31.823 0.049 0.000 0.983 252 V HN 0.412 nan 8.190 nan 0.000 0.460 253 H N 2.818 121.913 119.070 0.042 0.000 2.562 253 H HA 0.347 4.903 4.556 -0.000 0.000 0.352 253 H C 1.262 176.604 175.328 0.024 0.000 1.125 253 H CA 0.828 56.894 56.048 0.030 0.000 1.379 253 H CB 1.390 31.161 29.762 0.016 0.000 1.464 253 H HN 1.016 nan 8.280 nan 0.000 0.563 254 G N 2.654 111.538 108.800 0.140 0.000 2.176 254 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.252 254 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.252 254 G C 0.069 175.004 174.900 0.058 0.000 1.024 254 G CA -0.158 44.990 45.100 0.079 0.000 0.755 254 G HN 0.460 nan 8.290 nan 0.000 0.507 255 L N -0.052 121.208 121.223 0.062 0.000 2.326 255 L HA 0.581 4.921 4.340 -0.000 0.000 0.278 255 L C 0.465 177.342 176.870 0.012 0.000 1.092 255 L CA -0.834 54.046 54.840 0.067 0.000 0.810 255 L CB 1.582 43.710 42.059 0.115 0.000 1.153 255 L HN -0.042 nan 8.230 nan 0.000 0.439 256 V N 4.945 124.862 119.914 0.005 0.000 2.487 256 V HA 0.431 4.551 4.120 -0.000 0.000 0.298 256 V C 0.015 176.051 176.094 -0.097 0.000 1.028 256 V CA -0.486 61.786 62.300 -0.047 0.000 0.860 256 V CB 2.130 33.942 31.823 -0.018 0.000 0.991 256 V HN 0.516 nan 8.190 nan 0.000 0.427 257 L N 3.952 125.057 121.223 -0.197 0.000 2.317 257 L HA 0.808 5.148 4.340 -0.000 0.000 0.281 257 L C 0.584 177.319 176.870 -0.226 0.000 1.024 257 L CA -0.321 54.342 54.840 -0.294 0.000 0.810 257 L CB 1.923 43.626 42.059 -0.593 0.000 1.240 257 L HN 0.775 nan 8.230 nan 0.000 0.427 258 G N 1.743 110.435 108.800 -0.181 0.000 2.452 258 G HA2 0.771 4.731 3.960 -0.000 0.000 0.324 258 G HA3 0.771 4.731 3.960 -0.000 0.000 0.324 258 G C -1.392 173.424 174.900 -0.140 0.000 1.214 258 G CA -0.391 44.626 45.100 -0.138 0.000 0.947 258 G HN 0.736 nan 8.290 nan 0.000 0.478 259 A N 1.133 123.872 122.820 -0.136 0.000 2.488 259 A HA 0.866 5.186 4.320 -0.000 0.000 0.298 259 A C -0.459 177.049 177.584 -0.127 0.000 1.044 259 A CA -0.571 51.403 52.037 -0.104 0.000 0.693 259 A CB 1.858 20.798 19.000 -0.100 0.000 1.272 259 A HN 0.790 nan 8.150 nan 0.000 0.402 260 T N 2.424 116.911 114.554 -0.112 0.000 2.886 260 T HA 0.554 4.904 4.350 -0.000 0.000 0.292 260 T C -0.587 173.950 174.700 -0.273 0.000 1.012 260 T CA -0.235 61.713 62.100 -0.253 0.000 0.982 260 T CB 1.127 69.766 68.868 -0.382 0.000 1.018 260 T HN 0.509 nan 8.240 nan 0.000 0.451 261 I N 3.003 123.397 120.570 -0.292 0.000 2.359 261 I HA 0.405 4.575 4.170 -0.000 0.000 0.294 261 I C -1.073 174.836 176.117 -0.346 0.000 0.987 261 I CA -0.793 60.399 61.300 -0.180 0.000 1.225 261 I CB 1.091 39.103 38.000 0.020 0.000 1.366 261 I HN 0.631 nan 8.210 nan 0.000 0.466 262 Y N 6.235 126.511 120.300 -0.039 0.000 2.364 262 Y HA 0.493 5.043 4.550 -0.000 0.000 0.340 262 Y C -0.298 175.582 175.900 -0.033 0.000 0.975 262 Y CA -0.728 57.351 58.100 -0.036 0.000 1.089 262 Y CB 1.557 39.987 38.460 -0.050 0.000 1.192 262 Y HN 0.296 nan 8.280 nan 0.000 0.454 263 L N 5.270 126.562 121.223 0.116 0.000 2.287 263 L HA 0.461 4.801 4.340 -0.000 0.000 0.287 263 L C -0.817 176.090 176.870 0.062 0.000 1.022 263 L CA -0.585 54.295 54.840 0.067 0.000 0.814 263 L CB 0.708 42.791 42.059 0.040 0.000 1.217 263 L HN 0.478 nan 8.230 nan 0.000 0.420 264 I N 2.393 122.986 120.570 0.039 0.000 2.392 264 I HA 0.405 4.575 4.170 -0.000 0.000 0.295 264 I C 0.906 177.035 176.117 0.019 0.000 0.985 264 I CA -0.215 61.097 61.300 0.020 0.000 1.221 264 I CB 1.421 39.416 38.000 -0.008 0.000 1.366 264 I HN 0.553 nan 8.210 nan 0.000 0.467 265 G N 3.285 112.097 108.800 0.020 0.000 2.562 265 G HA2 0.185 4.145 3.960 -0.000 0.000 0.275 265 G HA3 0.185 4.145 3.960 -0.000 0.000 0.275 265 G C 0.447 175.395 174.900 0.080 0.000 1.196 265 G CA -0.346 44.785 45.100 0.052 0.000 0.908 265 G HN 0.591 nan 8.290 nan 0.000 0.524 266 F N 0.688 120.620 119.950 -0.030 0.000 2.192 266 F HA -0.166 4.361 4.527 -0.000 0.000 0.301 266 F C 2.164 177.879 175.800 -0.142 0.000 1.079 266 F CA 2.046 59.956 58.000 -0.150 0.000 1.303 266 F CB 0.238 39.026 39.000 -0.354 0.000 1.024 266 F HN 0.436 nan 8.300 nan 0.000 0.494 267 D N -1.033 119.359 120.400 -0.015 0.000 2.319 267 D HA 0.154 4.794 4.640 -0.000 0.000 0.230 267 D C 1.780 178.052 176.300 -0.046 0.000 1.094 267 D CA 0.678 54.665 54.000 -0.022 0.000 0.856 267 D CB -0.591 40.362 40.800 0.254 0.000 0.915 267 D HN 0.402 nan 8.370 nan 0.000 0.517 268 G N -0.612 108.139 108.800 -0.082 0.000 2.179 268 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 268 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 268 G C 0.473 175.350 174.900 -0.037 0.000 0.977 268 G CA 0.490 45.546 45.100 -0.073 0.000 0.641 268 G HN 0.511 nan 8.290 nan 0.000 0.533 269 T N 1.692 116.246 114.554 -0.001 0.000 2.910 269 T HA 0.505 4.855 4.350 -0.000 0.000 0.293 269 T C 0.711 175.417 174.700 0.010 0.000 1.015 269 T CA 0.625 62.733 62.100 0.013 0.000 1.094 269 T CB 0.841 69.739 68.868 0.051 0.000 0.968 269 T HN 0.197 nan 8.240 nan 0.000 0.521 270 T N 3.613 118.175 114.554 0.015 0.000 2.769 270 T HA 0.148 4.498 4.350 -0.000 0.000 0.293 270 T C 1.464 176.191 174.700 0.045 0.000 0.931 270 T CA -0.470 61.658 62.100 0.047 0.000 1.139 270 T CB 0.691 69.612 68.868 0.088 0.000 0.881 270 T HN 0.363 nan 8.240 nan 0.000 0.532 271 V N 4.113 124.049 119.914 0.036 0.000 2.492 271 V HA 0.269 4.389 4.120 -0.000 0.000 0.241 271 V C 0.709 176.817 176.094 0.024 0.000 1.041 271 V CA 0.914 63.220 62.300 0.010 0.000 1.057 271 V CB -0.028 31.785 31.823 -0.017 0.000 0.711 271 V HN 0.723 nan 8.190 nan 0.000 0.468 272 I N -0.376 120.219 120.570 0.040 0.000 2.619 272 I HA 0.432 4.602 4.170 -0.000 0.000 0.292 272 I C -0.584 175.549 176.117 0.027 0.000 1.100 272 I CA -0.061 61.255 61.300 0.026 0.000 1.043 272 I CB 2.442 40.450 38.000 0.013 0.000 1.239 272 I HN 0.047 nan 8.210 nan 0.000 0.420 273 T N 5.692 120.235 114.554 -0.018 0.000 2.840 273 T HA 0.577 4.927 4.350 -0.000 0.000 0.287 273 T C -1.003 173.596 174.700 -0.169 0.000 0.991 273 T CA -0.667 61.349 62.100 -0.139 0.000 0.964 273 T CB 0.695 69.525 68.868 -0.064 0.000 0.954 273 T HN 0.417 nan 8.240 nan 0.000 0.438 274 R N 3.323 123.681 120.500 -0.237 0.000 2.483 274 R HA 0.598 4.938 4.340 -0.000 0.000 0.303 274 R C -0.281 175.894 176.300 -0.208 0.000 0.987 274 R CA -0.687 55.312 56.100 -0.168 0.000 0.881 274 R CB 1.537 31.778 30.300 -0.098 0.000 1.177 274 R HN 0.848 nan 8.270 nan 0.000 0.451 275 A N 2.788 125.502 122.820 -0.176 0.000 2.491 275 A HA 0.189 4.509 4.320 -0.000 0.000 0.261 275 A C 1.084 178.561 177.584 -0.177 0.000 1.101 275 A CA -0.185 51.749 52.037 -0.172 0.000 0.772 275 A CB 0.368 19.291 19.000 -0.130 0.000 1.043 275 A HN 0.525 nan 8.150 nan 0.000 0.501 276 V N 1.990 121.770 119.914 -0.223 0.000 2.949 276 V HA 0.352 4.472 4.120 -0.000 0.000 0.245 276 V C 1.107 177.015 176.094 -0.310 0.000 1.086 276 V CA 1.698 63.803 62.300 -0.326 0.000 1.097 276 V CB -0.133 31.366 31.823 -0.538 0.000 0.762 276 V HN 1.190 nan 8.190 nan 0.000 0.470 277 A N -0.273 122.401 122.820 -0.243 0.000 2.480 277 A HA 0.819 5.139 4.320 -0.000 0.000 0.289 277 A C -0.717 176.771 177.584 -0.160 0.000 1.044 277 A CA 0.209 52.128 52.037 -0.197 0.000 0.761 277 A CB 1.060 19.930 19.000 -0.217 0.000 1.289 277 A HN 0.412 nan 8.150 nan 0.000 0.401 278 A N 2.263 125.007 122.820 -0.126 0.000 2.337 278 A HA 0.790 5.110 4.320 -0.000 0.000 0.331 278 A C 0.339 177.868 177.584 -0.091 0.000 1.137 278 A CA -0.120 51.857 52.037 -0.101 0.000 0.807 278 A CB 0.321 19.274 19.000 -0.079 0.000 1.250 278 A HN 2.302 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 -0.374 38.087 38.487 -0.043 0.000 0.992 279 N HN 0.776 nan 8.380 nan 0.000 0.524 280 N N 2.522 121.162 118.700 -0.099 0.000 2.621 280 N HA 0.309 5.049 4.740 -0.000 0.000 0.271 280 N C -0.378 175.064 175.510 -0.114 0.000 1.181 280 N CA 0.147 53.129 53.050 -0.113 0.000 0.805 280 N CB 1.015 39.406 38.487 -0.159 0.000 1.351 280 N HN 0.581 nan 8.380 nan 0.000 0.539 281 G N 2.358 111.116 108.800 -0.070 0.000 2.398 281 G HA2 0.367 4.327 3.960 -0.000 0.000 0.246 281 G HA3 0.367 4.327 3.960 -0.000 0.000 0.246 281 G C -0.021 174.847 174.900 -0.054 0.000 1.289 281 G CA -0.120 44.950 45.100 -0.049 0.000 0.869 281 G HN 0.541 nan 8.290 nan 0.000 0.543 282 L N 1.913 123.109 121.223 -0.044 0.000 2.295 282 L HA 0.347 4.686 4.340 -0.000 0.000 0.285 282 L C 0.433 177.308 176.870 0.009 0.000 1.035 282 L CA -0.698 54.125 54.840 -0.029 0.000 0.806 282 L CB 1.725 43.761 42.059 -0.039 0.000 1.214 282 L HN 0.393 nan 8.230 nan 0.000 0.426 283 T N 0.692 115.256 114.554 0.018 0.000 2.882 283 T HA 0.220 4.570 4.350 -0.000 0.000 0.287 283 T C 0.327 175.035 174.700 0.012 0.000 0.992 283 T CA -0.460 61.658 62.100 0.030 0.000 1.076 283 T CB 1.262 70.152 68.868 0.036 0.000 0.961 283 T HN 0.483 nan 8.240 nan 0.000 0.490 284 T N 2.274 116.818 114.554 -0.017 0.000 2.919 284 T HA 0.419 4.769 4.350 -0.000 0.000 0.302 284 T C 1.443 176.140 174.700 -0.005 0.000 1.031 284 T CA 0.691 62.746 62.100 -0.075 0.000 1.127 284 T CB 0.445 69.168 68.868 -0.241 0.000 0.952 284 T HN 1.006 nan 8.240 nan 0.000 0.540 285 G N 2.833 111.634 108.800 0.001 0.000 2.203 285 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.263 285 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.263 285 G C 0.201 175.119 174.900 0.030 0.000 1.012 285 G CA 0.384 45.497 45.100 0.021 0.000 0.749 285 G HN 0.914 nan 8.290 nan 0.000 0.512 286 T N -0.220 114.356 114.554 0.036 0.000 2.883 286 T HA 0.489 4.839 4.350 -0.000 0.000 0.301 286 T C -0.890 173.840 174.700 0.050 0.000 1.158 286 T CA -0.846 61.277 62.100 0.038 0.000 1.007 286 T CB 1.878 70.768 68.868 0.035 0.000 1.186 286 T HN 0.072 nan 8.240 nan 0.000 0.499 287 D N 2.208 122.635 120.400 0.046 0.000 2.425 287 D HA 0.175 4.815 4.640 -0.000 0.000 0.247 287 D C -0.314 176.024 176.300 0.063 0.000 1.147 287 D CA 0.308 54.341 54.000 0.054 0.000 0.879 287 D CB 0.351 41.174 40.800 0.039 0.000 1.179 287 D HN 0.380 nan 8.370 nan 0.000 0.456 288 N N 1.681 120.438 118.700 0.095 0.000 2.476 288 N HA 0.282 5.022 4.740 -0.000 0.000 0.257 288 N C -0.602 174.992 175.510 0.139 0.000 0.970 288 N CA -0.479 52.630 53.050 0.099 0.000 0.938 288 N CB 1.288 39.831 38.487 0.093 0.000 1.144 288 N HN 0.162 nan 8.380 nan 0.000 0.500 289 L N 1.731 123.008 121.223 0.090 0.000 2.326 289 L HA 0.460 4.800 4.340 -0.000 0.000 0.278 289 L C 0.102 177.034 176.870 0.104 0.000 1.092 289 L CA -0.171 54.726 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 0.466 nan 8.230 nan 0.000 0.439 290 M N 5.609 125.300 119.600 0.152 0.000 1.987 290 M HA 0.397 4.877 4.480 -0.000 0.000 0.298 290 M C -2.618 173.755 176.300 0.122 0.000 0.892 290 M CA -1.608 53.759 55.300 0.111 0.000 0.885 290 M CB 1.601 34.339 32.600 0.230 0.000 1.469 290 M HN 0.198 nan 8.290 nan 0.000 0.389 291 P HA 0.324 nan 4.420 nan 0.000 0.276 291 P C -1.353 175.955 177.300 0.014 0.000 1.244 291 P CA -0.038 63.127 63.100 0.110 0.000 0.801 291 P CB 0.505 32.233 31.700 0.047 0.000 1.006 292 F N 1.309 121.274 119.950 0.024 0.000 2.427 292 F HA 0.371 4.898 4.527 0.000 0.000 0.348 292 F C 0.777 176.589 175.800 0.021 0.000 1.125 292 F CA -0.141 57.874 58.000 0.024 0.000 0.989 292 F CB 0.974 39.996 39.000 0.037 0.000 1.165 292 F HN 0.127 nan 8.300 nan 0.000 0.442 293 N N 5.359 124.120 118.700 0.101 0.000 2.679 293 N HA 0.249 4.989 4.740 -0.000 0.000 0.302 293 N C -1.127 174.421 175.510 0.062 0.000 1.941 293 N CA -0.053 53.042 53.050 0.076 0.000 0.875 293 N CB 1.125 39.632 38.487 0.033 0.000 1.278 293 N HN 0.436 nan 8.380 nan 0.000 0.490 294 L N 0.915 122.196 121.223 0.097 0.000 2.289 294 L HA 0.546 4.886 4.340 -0.000 0.000 0.285 294 L C -0.044 176.874 176.870 0.080 0.000 1.049 294 L CA -0.795 54.089 54.840 0.075 0.000 0.804 294 L CB 1.761 43.876 42.059 0.093 0.000 1.195 294 L HN -0.203 nan 8.230 nan 0.000 0.428 295 V N 4.800 124.753 119.914 0.065 0.000 2.444 295 V HA 0.394 4.514 4.120 -0.000 0.000 0.294 295 V C -0.261 175.872 176.094 0.064 0.000 1.022 295 V CA -0.378 61.970 62.300 0.081 0.000 0.850 295 V CB 2.123 33.992 31.823 0.076 0.000 0.992 295 V HN 0.460 nan 8.190 nan 0.000 0.426 296 I N 8.526 129.141 120.570 0.075 0.000 2.328 296 I HA 0.422 4.592 4.170 -0.000 0.000 0.287 296 I C -2.125 174.032 176.117 0.067 0.000 1.012 296 I CA -1.873 59.461 61.300 0.057 0.000 1.195 296 I CB 1.941 39.969 38.000 0.047 0.000 1.350 296 I HN 0.438 nan 8.210 nan 0.000 0.464 297 P HA 0.140 nan 4.420 nan 0.000 0.274 297 P C 0.643 177.969 177.300 0.042 0.000 1.231 297 P CA -0.233 62.894 63.100 0.045 0.000 0.790 297 P CB 0.806 32.523 31.700 0.028 0.000 0.951 298 T N 1.049 115.629 114.554 0.044 0.000 2.653 298 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 298 T C 1.608 176.323 174.700 0.025 0.000 1.035 298 T CA 2.112 64.236 62.100 0.039 0.000 1.154 298 T CB -0.912 67.981 68.868 0.043 0.000 0.862 298 T HN 0.646 nan 8.240 nan 0.000 0.441 299 N N 1.369 120.082 118.700 0.023 0.000 2.443 299 N HA -0.154 4.586 4.740 -0.000 0.000 0.184 299 N C 1.391 176.911 175.510 0.017 0.000 1.037 299 N CA 1.005 54.067 53.050 0.020 0.000 0.896 299 N CB -0.213 38.286 38.487 0.019 0.000 0.959 299 N HN 0.510 nan 8.380 nan 0.000 0.442 300 E N 0.187 120.397 120.200 0.016 0.000 2.371 300 E HA 0.155 4.505 4.350 -0.000 0.000 0.194 300 E C 0.171 176.773 176.600 0.003 0.000 1.012 300 E CA 0.088 56.495 56.400 0.012 0.000 0.860 300 E CB 0.211 29.919 29.700 0.013 0.000 0.811 300 E HN 0.440 nan 8.360 nan 0.000 0.502 301 I N 2.357 122.927 120.570 -0.001 0.000 2.260 301 I HA -0.023 4.147 4.170 -0.000 0.000 0.297 301 I C 1.398 177.488 176.117 -0.045 0.000 1.143 301 I CA -0.059 61.229 61.300 -0.021 0.000 1.271 301 I CB 0.713 38.706 38.000 -0.013 0.000 1.461 301 I HN 0.035 nan 8.210 nan 0.000 0.530 302 T N 1.600 116.114 114.554 -0.067 0.000 3.055 302 T HA -0.005 4.345 4.350 -0.000 0.000 0.265 302 T C 0.524 175.066 174.700 -0.263 0.000 1.111 302 T CA 0.298 62.349 62.100 -0.082 0.000 1.118 302 T CB -0.077 68.770 68.868 -0.036 0.000 0.909 302 T HN 0.692 nan 8.240 nan 0.000 0.501 303 Q N -0.578 119.006 119.800 -0.361 0.000 2.522 303 Q HA 0.550 4.890 4.340 -0.000 0.000 0.285 303 Q C -3.479 172.396 176.000 -0.209 0.000 0.982 303 Q CA -2.573 52.888 55.803 -0.569 0.000 0.805 303 Q CB 0.816 28.741 28.738 -1.355 0.000 1.457 303 Q HN -0.120 nan 8.270 nan 0.000 0.394 304 P HA -0.023 nan 4.420 nan 0.000 0.261 304 P C -0.587 176.744 177.300 0.051 0.000 1.173 304 P CA 0.223 63.349 63.100 0.042 0.000 0.760 304 P CB 0.247 32.062 31.700 0.192 0.000 0.783 305 I N 3.152 123.743 120.570 0.036 0.000 2.441 305 I HA 0.073 4.243 4.170 -0.000 0.000 0.287 305 I C 1.531 177.688 176.117 0.066 0.000 1.049 305 I CA 0.681 62.005 61.300 0.041 0.000 1.381 305 I CB 0.395 38.411 38.000 0.026 0.000 1.409 305 I HN 0.351 nan 8.210 nan 0.000 0.523 306 T N 3.288 117.880 114.554 0.064 0.000 2.954 306 T HA 0.129 4.479 4.350 -0.000 0.000 0.252 306 T C 0.444 175.153 174.700 0.015 0.000 0.983 306 T CA 0.289 62.432 62.100 0.073 0.000 0.941 306 T CB 0.361 69.309 68.868 0.132 0.000 1.141 306 T HN 0.806 nan 8.240 nan 0.000 0.500 307 S N 0.105 115.803 115.700 -0.003 0.000 2.588 307 S HA 0.722 5.192 4.470 -0.000 0.000 0.269 307 S C -1.487 173.106 174.600 -0.011 0.000 1.157 307 S CA -0.941 57.244 58.200 -0.025 0.000 0.824 307 S CB 1.851 65.038 63.200 -0.021 0.000 1.126 307 S HN 0.273 nan 8.310 nan 0.000 0.464 308 I N 1.218 121.787 120.570 -0.003 0.000 2.545 308 I HA 0.710 4.880 4.170 -0.000 0.000 0.292 308 I C -1.328 174.778 176.117 -0.018 0.000 1.040 308 I CA -0.700 60.614 61.300 0.023 0.000 1.068 308 I CB 1.741 39.776 38.000 0.058 0.000 1.251 308 I HN 1.016 nan 8.210 nan 0.000 0.424 309 K N 6.359 126.712 120.400 -0.078 0.000 2.477 309 K HA 0.661 4.981 4.320 -0.000 0.000 0.255 309 K C -2.025 174.400 176.600 -0.292 0.000 0.952 309 K CA -0.968 55.149 56.287 -0.284 0.000 0.826 309 K CB 2.443 34.847 32.500 -0.159 0.000 1.331 309 K HN 0.467 nan 8.250 nan 0.000 0.437 310 L N 1.091 121.960 121.223 -0.591 0.000 2.349 310 L HA 0.436 4.776 4.340 -0.000 0.000 0.278 310 L C -1.192 175.614 176.870 -0.107 0.000 0.996 310 L CA -0.006 54.658 54.840 -0.295 0.000 0.825 310 L CB 1.776 43.618 42.059 -0.361 0.000 1.243 310 L HN 0.777 nan 8.230 nan 0.000 0.412 311 E N 5.149 125.389 120.200 0.067 0.000 2.214 311 E HA 0.572 4.922 4.350 -0.000 0.000 0.274 311 E C -1.136 175.509 176.600 0.076 0.000 0.977 311 E CA -0.612 55.849 56.400 0.101 0.000 0.827 311 E CB 2.326 32.151 29.700 0.209 0.000 1.130 311 E HN 0.542 nan 8.360 nan 0.000 0.394 312 I N 2.274 122.891 120.570 0.077 0.000 2.466 312 I HA 0.260 4.430 4.170 -0.000 0.000 0.289 312 I C -0.783 175.347 176.117 0.022 0.000 1.026 312 I CA -1.004 60.314 61.300 0.030 0.000 1.078 312 I CB 1.901 39.931 38.000 0.050 0.000 1.249 312 I HN 0.171 nan 8.210 nan 0.000 0.429 313 V N 4.220 124.121 119.914 -0.022 0.000 2.427 313 V HA 0.493 4.613 4.120 -0.000 0.000 0.286 313 V C 0.025 176.105 176.094 -0.023 0.000 1.034 313 V CA -0.401 61.899 62.300 -0.000 0.000 0.893 313 V CB 1.490 33.315 31.823 0.003 0.000 0.982 313 V HN 0.731 nan 8.190 nan 0.000 0.452 314 T N 3.673 118.252 114.554 0.041 0.000 2.809 314 T HA 0.658 5.008 4.350 -0.000 0.000 0.284 314 T C -0.139 174.649 174.700 0.147 0.000 0.992 314 T CA -0.520 61.638 62.100 0.097 0.000 0.957 314 T CB 1.401 70.388 68.868 0.197 0.000 0.942 314 T HN 0.932 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 0.785 5.255 4.470 -0.000 0.000 0.283 315 S C -1.220 173.489 174.600 0.180 0.000 1.127 315 S CA -1.127 57.181 58.200 0.181 0.000 0.863 315 S CB 2.345 65.626 63.200 0.135 0.000 1.121 315 S HN 0.558 nan 8.310 nan 0.000 0.479 316 K N 0.156 120.694 120.400 0.230 0.000 2.316 316 K HA 0.567 4.887 4.320 -0.000 0.000 0.251 316 K C 0.648 177.270 176.600 0.036 0.000 0.934 316 K CA -0.659 55.685 56.287 0.094 0.000 0.802 316 K CB 1.854 34.355 32.500 0.003 0.000 1.171 316 K HN 0.640 nan 8.250 nan 0.000 0.426 317 S N 1.228 116.932 115.700 0.007 0.000 2.354 317 S HA -0.162 4.308 4.470 -0.000 0.000 0.219 317 S C 1.524 176.094 174.600 -0.050 0.000 1.035 317 S CA 1.609 59.806 58.200 -0.004 0.000 1.037 317 S CB -0.363 62.836 63.200 -0.001 0.000 0.956 317 S HN 0.889 nan 8.310 nan 0.000 0.428 318 G N 0.537 109.278 108.800 -0.097 0.000 2.707 318 G HA2 0.374 4.334 3.960 -0.000 0.000 0.204 318 G HA3 0.374 4.334 3.960 -0.000 0.000 0.204 318 G C 0.576 175.297 174.900 -0.299 0.000 1.435 318 G CA 0.432 45.447 45.100 -0.142 0.000 0.890 318 G HN 1.302 nan 8.290 nan 0.000 0.552 319 G N -2.413 106.086 108.800 -0.503 0.000 2.788 319 G HA2 0.298 4.258 3.960 -0.000 0.000 0.686 319 G HA3 0.298 4.258 3.960 -0.000 0.000 0.686 319 G C -0.764 173.843 174.900 -0.488 0.000 1.147 319 G CA 0.168 44.588 45.100 -1.132 0.000 0.755 319 G HN 0.718 nan 8.290 nan 0.000 0.634 320 Q N -0.493 119.137 119.800 -0.283 0.000 2.870 320 Q HA 0.795 5.135 4.340 -0.000 0.000 0.366 320 Q C 1.503 177.624 176.000 0.202 0.000 0.738 320 Q CA 0.055 55.875 55.803 0.028 0.000 0.870 320 Q CB 0.618 29.347 28.738 -0.016 0.000 1.237 320 Q HN 1.477 nan 8.270 nan 0.000 0.497 321 A N 0.390 123.280 122.820 0.117 0.000 1.889 321 A HA 0.230 4.550 4.320 -0.000 0.000 0.209 321 A C 0.855 178.507 177.584 0.114 0.000 1.315 321 A CA 1.472 53.574 52.037 0.108 0.000 0.611 321 A CB -1.258 17.778 19.000 0.059 0.000 0.950 321 A HN 0.507 nan 8.150 nan 0.000 0.477 322 G N -0.975 107.866 108.800 0.069 0.000 2.350 322 G HA2 0.457 4.417 3.960 -0.000 0.000 0.306 322 G HA3 0.457 4.417 3.960 -0.000 0.000 0.306 322 G C -0.579 174.354 174.900 0.055 0.000 1.094 322 G CA -0.049 45.085 45.100 0.057 0.000 0.953 322 G HN 0.319 nan 8.290 nan 0.000 0.420 323 D N 0.626 121.073 120.400 0.078 0.000 2.473 323 D HA 0.036 4.676 4.640 -0.000 0.000 0.242 323 D C 0.343 176.675 176.300 0.052 0.000 1.106 323 D CA 0.184 54.218 54.000 0.058 0.000 0.854 323 D CB 0.356 41.187 40.800 0.052 0.000 1.192 323 D HN 0.342 nan 8.370 nan 0.000 0.503 324 Q N 0.774 120.605 119.800 0.051 0.000 2.499 324 Q HA -0.185 4.155 4.340 -0.000 0.000 0.262 324 Q C -0.342 175.678 176.000 0.034 0.000 1.328 324 Q CA 0.783 56.593 55.803 0.011 0.000 0.794 324 Q CB -1.420 27.307 28.738 -0.018 0.000 0.888 324 Q HN 0.445 nan 8.270 nan 0.000 0.305 325 M N 1.032 120.670 119.600 0.064 0.000 2.157 325 M HA 0.542 5.022 4.480 -0.000 0.000 0.354 325 M C 0.277 176.630 176.300 0.088 0.000 1.170 325 M CA -0.436 54.950 55.300 0.143 0.000 1.060 325 M CB 1.809 34.578 32.600 0.282 0.000 1.615 325 M HN 0.486 nan 8.290 nan 0.000 0.460 326 S N 3.013 118.782 115.700 0.116 0.000 2.541 326 S HA 0.867 5.337 4.470 -0.000 0.000 0.280 326 S C -1.464 173.270 174.600 0.222 0.000 1.112 326 S CA -0.838 57.387 58.200 0.042 0.000 0.925 326 S CB 1.742 64.917 63.200 -0.043 0.000 1.067 326 S HN 0.968 nan 8.310 nan 0.000 0.479 327 W N 0.174 121.658 121.300 0.307 0.000 3.118 327 W HA 0.721 5.381 4.660 -0.000 0.000 0.328 327 W C -1.219 175.432 176.519 0.220 0.000 1.239 327 W CA -0.873 56.617 57.345 0.242 0.000 1.176 327 W CB 1.250 30.871 29.460 0.268 0.000 1.433 327 W HN 0.708 nan 8.180 nan 0.000 0.562 328 S N 1.050 117.108 115.700 0.596 0.000 2.509 328 S HA 0.807 5.277 4.470 -0.000 0.000 0.297 328 S C -0.720 174.157 174.600 0.462 0.000 1.118 328 S CA -0.222 58.226 58.200 0.414 0.000 1.074 328 S CB 1.006 64.326 63.200 0.199 0.000 1.038 328 S HN 0.832 nan 8.310 nan 0.000 0.498 329 A N 4.455 127.495 122.820 0.365 0.000 2.414 329 A HA 0.871 5.191 4.320 -0.000 0.000 0.306 329 A C -0.607 176.963 177.584 -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 20.399 19.000 -0.077 0.000 1.267 329 A HN 0.745 nan 8.150 nan 0.000 0.418 330 R N 0.763 121.161 120.500 -0.171 0.000 2.651 330 R HA 0.681 5.021 4.340 -0.000 0.000 0.278 330 R C -0.586 175.639 176.300 -0.125 0.000 1.010 330 R CA 0.336 56.385 56.100 -0.085 0.000 0.896 330 R CB 2.193 32.466 30.300 -0.045 0.000 1.211 330 R HN 2.072 nan 8.270 nan 0.000 0.456 331 G N 0.915 109.662 108.800 -0.089 0.000 2.333 331 G HA2 0.096 4.056 3.960 -0.000 0.000 0.330 331 G HA3 0.096 4.056 3.960 -0.000 0.000 0.330 331 G C -1.719 173.111 174.900 -0.117 0.000 1.465 331 G CA -0.643 44.402 45.100 -0.092 0.000 0.996 331 G HN 0.565 nan 8.290 nan 0.000 0.655 332 S N -0.542 115.085 115.700 -0.121 0.000 2.566 332 S HA 0.882 5.352 4.470 -0.000 0.000 0.298 332 S C -0.274 174.210 174.600 -0.194 0.000 1.083 332 S CA -0.959 57.141 58.200 -0.167 0.000 0.978 332 S CB 2.084 65.205 63.200 -0.132 0.000 1.073 332 S HN 0.767 nan 8.310 nan 0.000 0.491 333 L N 0.906 121.975 121.223 -0.257 0.000 2.319 333 L HA 0.887 5.227 4.340 -0.000 0.000 0.267 333 L C -0.260 176.520 176.870 -0.150 0.000 1.011 333 L CA -1.132 53.550 54.840 -0.263 0.000 0.818 333 L CB 1.775 43.593 42.059 -0.401 0.000 1.316 333 L HN 0.845 nan 8.230 nan 0.000 0.432 334 A N 1.633 124.401 122.820 -0.087 0.000 2.330 334 A HA 0.718 5.038 4.320 -0.000 0.000 0.313 334 A C -0.896 176.693 177.584 0.009 0.000 1.124 334 A CA -0.470 51.550 52.037 -0.028 0.000 0.774 334 A CB 1.493 20.483 19.000 -0.017 0.000 1.198 334 A HN 0.368 nan 8.150 nan 0.000 0.465 335 V N 2.833 122.783 119.914 0.059 0.000 2.328 335 V HA 0.402 4.522 4.120 -0.000 0.000 0.278 335 V C 0.111 176.254 176.094 0.081 0.000 1.021 335 V CA -0.221 62.135 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 -0.020 0.000 2.743 336 T HA 0.482 4.832 4.350 -0.000 0.000 0.292 336 T C -0.021 174.532 174.700 -0.244 0.000 0.972 336 T CA -0.150 61.878 62.100 -0.120 0.000 0.967 336 T CB 0.650 69.428 68.868 -0.149 0.000 0.926 336 T HN 0.615 nan 8.240 nan 0.000 0.459 337 I N 1.870 122.351 120.570 -0.148 0.000 2.312 337 I HA 0.405 4.575 4.170 -0.000 0.000 0.290 337 I C -0.240 175.794 176.117 -0.138 0.000 1.008 337 I CA -0.798 60.412 61.300 -0.151 0.000 1.226 337 I CB 0.671 38.687 38.000 0.027 0.000 1.371 337 I HN 0.546 nan 8.210 nan 0.000 0.468 338 H N 5.353 124.448 119.070 0.043 0.000 2.886 338 H HA 0.131 4.687 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 1.060 57.124 56.048 0.027 0.000 1.456 338 H CB 0.862 30.637 29.762 0.021 0.000 1.464 338 H HN 1.026 nan 8.280 nan 0.000 0.573 339 G N 2.669 111.550 108.800 0.135 0.000 2.200 339 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.267 339 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.267 339 G C 1.553 176.505 174.900 0.086 0.000 0.993 339 G CA 0.843 45.992 45.100 0.081 0.000 0.701 339 G HN 0.868 nan 8.290 nan 0.000 0.524 340 G N 0.114 108.954 108.800 0.066 0.000 2.450 340 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 340 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 340 G C 1.329 176.261 174.900 0.054 0.000 1.130 340 G CA 1.300 46.434 45.100 0.056 0.000 0.760 340 G HN 0.519 nan 8.290 nan 0.000 0.557 341 N N -0.864 117.861 118.700 0.042 0.000 2.336 341 N HA 0.062 4.802 4.740 -0.000 0.000 0.189 341 N C -0.279 175.258 175.510 0.046 0.000 1.113 341 N CA -0.478 52.583 53.050 0.019 0.000 0.858 341 N CB -0.111 38.364 38.487 -0.020 0.000 0.970 341 N HN 0.428 nan 8.380 nan 0.000 0.471 342 Y N 2.701 122.983 120.300 -0.029 0.000 2.605 342 Y HA 0.141 4.691 4.550 0.000 0.000 0.336 342 Y C -2.103 173.773 175.900 -0.040 0.000 1.111 342 Y CA -2.009 56.069 58.100 -0.036 0.000 1.422 342 Y CB 0.497 38.928 38.460 -0.049 0.000 1.193 342 Y HN 0.004 nan 8.280 nan 0.000 0.526 343 P HA 0.080 nan 4.420 nan 0.000 0.260 343 P C 0.522 177.745 177.300 -0.128 0.000 1.185 343 P CA 1.945 64.896 63.100 -0.248 0.000 0.763 343 P CB 0.482 31.984 31.700 -0.329 0.000 0.776 344 G N 3.275 112.092 108.800 0.028 0.000 2.313 344 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.215 344 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.215 344 G C 1.209 176.227 174.900 0.197 0.000 1.023 344 G CA 0.327 45.505 45.100 0.129 0.000 0.626 344 G HN 0.609 nan 8.290 nan 0.000 0.503 345 A N -0.202 122.718 122.820 0.166 0.000 1.969 345 A HA 0.536 4.856 4.320 -0.000 0.000 0.218 345 A C 2.184 179.890 177.584 0.203 0.000 1.169 345 A CA 2.046 54.143 52.037 0.100 0.000 0.635 345 A CB -0.197 18.841 19.000 0.064 0.000 0.810 345 A HN 0.979 nan 8.150 nan 0.000 0.445 346 L N -3.796 117.529 121.223 0.171 0.000 3.316 346 L HA 0.202 4.542 4.340 -0.000 0.000 0.300 346 L C 2.055 179.053 176.870 0.214 0.000 1.128 346 L CA 0.201 55.139 54.840 0.163 0.000 1.111 346 L CB 0.067 42.203 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 0.079 4.419 4.340 -0.000 0.000 0.221 347 R C -1.772 174.594 176.300 0.110 0.000 1.166 347 R CA 0.701 56.860 56.100 0.097 0.000 0.917 347 R CB -0.903 29.410 30.300 0.021 0.000 0.815 347 R HN 0.021 nan 8.270 nan 0.000 0.444 348 P HA 0.125 nan 4.420 nan 0.000 0.275 348 P C -1.306 176.107 177.300 0.188 0.000 1.227 348 P CA 0.135 63.284 63.100 0.081 0.000 0.781 348 P CB 1.519 33.245 31.700 0.043 0.000 0.906 349 V N 3.302 123.332 119.914 0.193 0.000 2.588 349 V HA 0.387 4.507 4.120 -0.000 0.000 0.304 349 V C 0.077 176.246 176.094 0.125 0.000 1.042 349 V CA -0.288 62.119 62.300 0.178 0.000 0.877 349 V CB 2.239 34.187 31.823 0.208 0.000 0.996 349 V HN 0.467 nan 8.190 nan 0.000 0.425 350 T N 6.051 120.652 114.554 0.078 0.000 2.770 350 T HA 0.629 4.979 4.350 -0.000 0.000 0.283 350 T C -0.612 174.119 174.700 0.053 0.000 0.988 350 T CA -0.280 61.876 62.100 0.093 0.000 0.957 350 T CB 0.915 69.862 68.868 0.131 0.000 0.930 350 T HN 0.233 nan 8.240 nan 0.000 0.443 351 L N 4.105 125.332 121.223 0.007 0.000 2.282 351 L HA 0.554 4.894 4.340 -0.000 0.000 0.288 351 L C -0.352 176.524 176.870 0.010 0.000 1.033 351 L CA -0.422 54.384 54.840 -0.057 0.000 0.807 351 L CB 1.686 43.678 42.059 -0.111 0.000 1.209 351 L HN 0.383 nan 8.230 nan 0.000 0.423 352 V N 3.413 123.342 119.914 0.026 0.000 2.326 352 V HA 0.751 4.871 4.120 -0.000 0.000 0.281 352 V C 0.086 176.257 176.094 0.128 0.000 1.015 352 V CA -0.670 61.694 62.300 0.106 0.000 0.823 352 V CB 1.267 33.216 31.823 0.210 0.000 1.009 352 V HN 0.828 nan 8.190 nan 0.000 0.436 353 A N 5.573 128.465 122.820 0.121 0.000 2.317 353 A HA 0.915 5.235 4.320 -0.000 0.000 0.327 353 A C -0.901 176.915 177.584 0.387 0.000 1.178 353 A CA -0.484 51.659 52.037 0.177 0.000 0.817 353 A CB 0.849 19.928 19.000 0.131 0.000 1.189 353 A HN 0.978 nan 8.150 nan 0.000 0.489 354 Y N -0.015 120.480 120.300 0.325 0.000 2.524 354 Y HA 0.795 5.345 4.550 -0.000 0.000 0.344 354 Y C -0.309 175.659 175.900 0.113 0.000 1.012 354 Y CA -0.945 57.316 58.100 0.267 0.000 1.068 354 Y CB 1.363 39.918 38.460 0.157 0.000 1.249 354 Y HN 0.851 nan 8.280 nan 0.000 0.468 355 E N 0.796 121.010 120.200 0.025 0.000 2.412 355 E HA 0.565 4.915 4.350 -0.000 0.000 0.279 355 E C -0.562 175.990 176.600 -0.080 0.000 0.984 355 E CA -1.287 55.008 56.400 -0.175 0.000 0.788 355 E CB 1.519 30.881 29.700 -0.564 0.000 1.277 355 E HN 0.581 nan 8.360 nan 0.000 0.455 356 R N -0.892 119.573 120.500 -0.058 0.000 3.989 356 R HA -0.102 4.238 4.340 -0.000 0.000 0.377 356 R C -0.443 175.871 176.300 0.025 0.000 1.158 356 R CA 0.854 56.937 56.100 -0.028 0.000 1.035 356 R CB -2.822 27.443 30.300 -0.057 0.000 1.557 356 R HN 0.484 nan 8.270 nan 0.000 0.551 357 V N 1.407 121.370 119.914 0.082 0.000 2.614 357 V HA 0.436 4.556 4.120 -0.000 0.000 0.291 357 V C 1.452 177.580 176.094 0.057 0.000 1.049 357 V CA -0.040 62.306 62.300 0.077 0.000 1.038 357 V CB 1.532 33.419 31.823 0.108 0.000 0.980 357 V HN 0.366 nan 8.190 nan 0.000 0.481 358 A N 3.873 126.712 122.820 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 -0.003 52.049 52.037 0.024 0.000 0.763 358 A CB -0.302 18.706 19.000 0.013 0.000 1.001 358 A HN 0.865 nan 8.150 nan 0.000 0.498 359 T N 1.866 116.438 114.554 0.031 0.000 2.908 359 T HA 0.402 4.752 4.350 -0.000 0.000 0.301 359 T C 1.542 176.258 174.700 0.026 0.000 1.019 359 T CA 1.610 63.731 62.100 0.036 0.000 1.152 359 T CB 0.414 69.299 68.868 0.027 0.000 0.966 359 T HN 2.025 nan 8.240 nan 0.000 0.540 360 G N 2.707 111.525 108.800 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 0.377 175.282 174.900 0.009 0.000 0.982 360 G CA 0.111 45.223 45.100 0.019 0.000 0.641 360 G HN 1.132 nan 8.290 nan 0.000 0.527 361 S N -0.702 115.001 115.700 0.004 0.000 2.632 361 S HA 0.721 5.191 4.470 -0.000 0.000 0.267 361 S C 0.145 174.725 174.600 -0.034 0.000 1.276 361 S CA -0.269 57.923 58.200 -0.014 0.000 0.998 361 S CB 2.495 65.684 63.200 -0.017 0.000 0.953 361 S HN 0.984 nan 8.310 nan 0.000 0.547 362 V N 1.889 121.775 119.914 -0.045 0.000 2.394 362 V HA 0.354 4.474 4.120 -0.000 0.000 0.282 362 V C -0.265 175.766 176.094 -0.105 0.000 1.031 362 V CA -0.757 61.506 62.300 -0.062 0.000 0.881 362 V CB 1.309 33.109 31.823 -0.038 0.000 0.982 362 V HN 0.775 nan 8.190 nan 0.000 0.451 363 V N 4.595 124.408 119.914 -0.169 0.000 2.364 363 V HA 0.312 4.432 4.120 -0.000 0.000 0.272 363 V C 0.472 176.483 176.094 -0.138 0.000 1.036 363 V CA -0.088 62.079 62.300 -0.220 0.000 0.880 363 V CB 1.650 33.206 31.823 -0.444 0.000 0.991 363 V HN 0.970 nan 8.190 nan 0.000 0.460 364 T N 5.280 119.789 114.554 -0.075 0.000 2.767 364 T HA 0.534 4.884 4.350 -0.000 0.000 0.284 364 T C -0.235 174.474 174.700 0.015 0.000 0.973 364 T CA -0.272 61.814 62.100 -0.022 0.000 0.996 364 T CB 1.418 70.278 68.868 -0.014 0.000 0.927 364 T HN 0.334 nan 8.240 nan 0.000 0.456 365 V N 2.649 122.603 119.914 0.067 0.000 2.459 365 V HA 0.837 4.957 4.120 -0.000 0.000 0.295 365 V C -0.094 176.068 176.094 0.113 0.000 1.029 365 V CA -0.818 61.559 62.300 0.129 0.000 0.874 365 V CB 1.416 33.377 31.823 0.230 0.000 0.985 365 V HN 1.069 nan 8.190 nan 0.000 0.438 366 A N 3.397 126.260 122.820 0.073 0.000 2.427 366 A HA 0.970 5.290 4.320 -0.000 0.000 0.298 366 A C -0.172 177.421 177.584 0.016 0.000 1.036 366 A CA -0.010 52.051 52.037 0.041 0.000 0.701 366 A CB 1.888 20.898 19.000 0.016 0.000 1.250 366 A HN 1.212 nan 8.150 nan 0.000 0.412 367 G N -0.311 108.502 108.800 0.022 0.000 2.690 367 G HA2 0.637 4.597 3.960 -0.000 0.000 0.291 367 G HA3 0.637 4.597 3.960 -0.000 0.000 0.291 367 G C -1.780 173.124 174.900 0.008 0.000 1.403 367 G CA -0.558 44.535 45.100 -0.013 0.000 0.864 367 G HN 1.126 nan 8.290 nan 0.000 0.480 368 V N 0.275 120.180 119.914 -0.015 0.000 2.638 368 V HA 0.687 4.807 4.120 -0.000 0.000 0.306 368 V C -0.255 175.821 176.094 -0.030 0.000 1.052 368 V CA -0.709 61.593 62.300 0.002 0.000 0.885 368 V CB 1.912 33.735 31.823 -0.001 0.000 0.999 368 V HN 0.758 nan 8.190 nan 0.000 0.424 369 S N 4.099 119.791 115.700 -0.013 0.000 2.482 369 S HA 0.581 5.051 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 -0.810 57.284 58.200 -0.177 0.000 1.057 369 S CB 1.183 64.351 63.200 -0.053 0.000 1.031 369 S HN 0.752 nan 8.310 nan 0.000 0.485 370 N N 1.707 120.091 118.700 -0.527 0.000 2.321 370 N HA 0.609 5.349 4.740 -0.000 0.000 0.299 370 N C -1.501 173.645 175.510 -0.606 0.000 1.048 370 N CA -0.229 52.602 53.050 -0.366 0.000 0.836 370 N CB 1.400 39.804 38.487 -0.138 0.000 1.269 370 N HN 0.404 nan 8.380 nan 0.000 0.486 371 F N 0.019 119.987 119.950 0.032 0.000 2.576 371 F HA 0.334 4.861 4.527 -0.000 0.000 0.313 371 F C 0.496 176.302 175.800 0.010 0.000 1.078 371 F CA -0.876 57.125 58.000 0.002 0.000 0.921 371 F CB 1.895 40.868 39.000 -0.045 0.000 1.232 371 F HN 0.148 nan 8.300 nan 0.000 0.459 372 E N 2.970 123.275 120.200 0.174 0.000 2.227 372 E HA 0.605 4.955 4.350 -0.000 0.000 0.282 372 E C -1.152 175.581 176.600 0.222 0.000 1.015 372 E CA -0.430 56.055 56.400 0.142 0.000 0.823 372 E CB 1.562 31.160 29.700 -0.169 0.000 1.081 372 E HN 0.414 nan 8.360 nan 0.000 0.396 373 L N 3.692 125.071 121.223 0.260 0.000 2.388 373 L HA 0.556 4.896 4.340 -0.000 0.000 0.264 373 L C -0.652 176.393 176.870 0.291 0.000 0.998 373 L CA -0.826 54.106 54.840 0.153 0.000 0.817 373 L CB 1.858 43.682 42.059 -0.393 0.000 1.338 373 L HN 0.429 nan 8.230 nan 0.000 0.414 374 I N 3.405 124.177 120.570 0.337 0.000 2.362 374 I HA 0.355 4.525 4.170 -0.000 0.000 0.289 374 I C -2.216 174.136 176.117 0.393 0.000 0.994 374 I CA -2.011 59.464 61.300 0.291 0.000 1.158 374 I CB 1.969 40.084 38.000 0.191 0.000 1.315 374 I HN 0.245 nan 8.210 nan 0.000 0.451 375 P HA 0.059 nan 4.420 nan 0.000 0.272 375 P C -0.978 176.358 177.300 0.060 0.000 1.223 375 P CA -0.345 62.850 63.100 0.158 0.000 0.784 375 P CB 0.279 32.012 31.700 0.055 0.000 0.923 376 N N 2.450 121.117 118.700 -0.055 0.000 2.354 376 N HA 0.076 4.816 4.740 -0.000 0.000 0.246 376 N C -1.972 173.518 175.510 -0.032 0.000 1.285 376 N CA -1.597 51.431 53.050 -0.037 0.000 0.925 376 N CB -1.361 37.080 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 0.982 178.265 177.300 -0.027 0.000 1.150 377 P CA 1.506 64.597 63.100 -0.014 0.000 0.843 377 P CB 0.199 31.893 31.700 -0.010 0.000 0.787 378 E N -0.947 119.229 120.200 -0.042 0.000 2.072 378 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 378 E C 1.763 178.331 176.600 -0.053 0.000 0.982 378 E CA 0.744 57.118 56.400 -0.044 0.000 0.803 378 E CB -1.040 28.632 29.700 -0.047 0.000 0.755 378 E HN 0.016 nan 8.360 nan 0.000 0.453 379 L N -0.031 121.143 121.223 -0.081 0.000 2.156 379 L HA 0.115 4.455 4.340 -0.000 0.000 0.208 379 L C 2.032 178.871 176.870 -0.051 0.000 1.095 379 L CA 1.480 56.264 54.840 -0.093 0.000 0.770 379 L CB -0.663 41.281 42.059 -0.193 0.000 0.914 379 L HN 0.180 nan 8.230 nan 0.000 0.439 380 A N -0.887 121.912 122.820 -0.035 0.000 2.131 380 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 380 A C 2.177 179.754 177.584 -0.011 0.000 1.158 380 A CA 1.519 53.550 52.037 -0.010 0.000 0.665 380 A CB -0.522 18.476 19.000 -0.002 0.000 0.795 380 A HN 0.475 nan 8.150 nan 0.000 0.460 381 K N -0.785 119.605 120.400 -0.017 0.000 2.366 381 K HA 0.015 4.335 4.320 -0.000 0.000 0.198 381 K C 0.373 176.967 176.600 -0.010 0.000 1.044 381 K CA 0.850 57.129 56.287 -0.013 0.000 0.973 381 K CB 0.055 32.546 32.500 -0.015 0.000 0.767 381 K HN 0.389 nan 8.250 nan 0.000 0.475 382 N N -0.163 118.531 118.700 -0.010 0.000 2.118 382 N HA 0.047 4.787 4.740 -0.000 0.000 0.226 382 N C -1.016 174.496 175.510 0.004 0.000 1.305 382 N CA -0.048 52.999 53.050 -0.005 0.000 0.890 382 N CB 1.077 39.559 38.487 -0.008 0.000 1.118 382 N HN -0.017 nan 8.380 nan 0.000 0.511 383 L N 2.501 123.729 121.223 0.008 0.000 2.318 383 L HA 0.441 4.781 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 -0.565 54.292 54.840 0.028 0.000 0.846 383 L CB 1.231 43.321 42.059 0.050 0.000 1.220 383 L HN -0.277 nan 8.230 nan 0.000 0.423 384 V N 4.107 124.029 119.914 0.013 0.000 2.585 384 V HA 0.248 4.368 4.120 -0.000 0.000 0.296 384 V C 0.840 176.924 176.094 -0.017 0.000 1.035 384 V CA 0.007 62.304 62.300 -0.006 0.000 1.084 384 V CB 1.261 33.080 31.823 -0.007 0.000 0.953 384 V HN 0.909 nan 8.190 nan 0.000 0.483 385 T N 2.481 117.004 114.554 -0.050 0.000 2.912 385 T HA 0.812 5.162 4.350 -0.000 0.000 0.288 385 T C -0.759 173.840 174.700 -0.168 0.000 1.030 385 T CA -0.903 61.139 62.100 -0.096 0.000 1.020 385 T CB 2.299 71.112 68.868 -0.091 0.000 1.056 385 T HN 0.678 nan 8.240 nan 0.000 0.480 386 E N 0.146 120.197 120.200 -0.248 0.000 2.408 386 E HA 0.361 4.711 4.350 -0.000 0.000 0.275 386 E C -1.281 175.113 176.600 -0.345 0.000 0.935 386 E CA -0.980 55.268 56.400 -0.254 0.000 0.775 386 E CB 1.839 31.458 29.700 -0.135 0.000 1.277 386 E HN 0.650 nan 8.360 nan 0.000 0.455 387 Y N 0.496 120.754 120.300 -0.071 0.000 2.480 387 Y HA 0.233 4.783 4.550 -0.000 0.000 0.338 387 Y C 1.426 177.322 175.900 -0.007 0.000 1.220 387 Y CA 0.184 58.283 58.100 -0.002 0.000 1.430 387 Y CB 0.531 39.007 38.460 0.025 0.000 1.311 387 Y HN 0.605 nan 8.280 nan 0.000 0.575 388 G N 2.822 111.807 108.800 0.308 0.000 2.559 388 G HA2 0.063 4.023 3.960 -0.000 0.000 0.235 388 G HA3 0.063 4.023 3.960 -0.000 0.000 0.235 388 G C -0.215 174.803 174.900 0.196 0.000 1.266 388 G CA -0.884 44.371 45.100 0.258 0.000 0.847 388 G HN 0.437 nan 8.290 nan 0.000 0.583 389 R N -0.124 120.467 120.500 0.152 0.000 2.538 389 R HA -0.013 4.327 4.340 -0.000 0.000 0.282 389 R C -0.322 176.088 176.300 0.182 0.000 1.009 389 R CA -0.431 55.754 56.100 0.141 0.000 1.063 389 R CB -0.002 30.354 30.300 0.093 0.000 0.945 389 R HN 0.381 nan 8.270 nan 0.000 0.414 390 F N 4.858 124.828 119.950 0.033 0.000 2.421 390 F HA 0.167 4.694 4.527 -0.000 0.000 0.358 390 F C -0.341 175.467 175.800 0.013 0.000 1.115 390 F CA -1.392 56.618 58.000 0.017 0.000 1.160 390 F CB 0.460 39.464 39.000 0.006 0.000 1.123 390 F HN 0.483 nan 8.300 nan 0.000 0.508 391 D N 8.082 128.175 120.400 -0.513 0.000 2.620 391 D HA 0.323 4.963 4.640 -0.000 0.000 0.252 391 D C -3.290 172.593 176.300 -0.696 0.000 1.207 391 D CA -2.040 51.546 54.000 -0.691 0.000 0.884 391 D CB 1.741 42.362 40.800 -0.299 0.000 1.262 391 D HN 0.215 nan 8.370 nan 0.000 0.552 392 P HA 0.285 nan 4.420 nan 0.000 0.274 392 P C 1.012 178.201 177.300 -0.185 0.000 1.231 392 P CA 0.448 63.307 63.100 -0.402 0.000 0.790 392 P CB 1.082 32.633 31.700 -0.249 0.000 0.951 393 G N 1.388 110.150 108.800 -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 1.123 176.046 174.900 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 -0.490 122.322 122.820 -0.014 0.000 1.877 394 A HA 0.205 4.525 4.320 -0.000 0.000 0.216 394 A C 2.272 179.920 177.584 0.107 0.000 1.186 394 A CA 2.826 54.892 52.037 0.049 0.000 0.620 394 A CB -0.368 18.627 19.000 -0.010 0.000 0.822 394 A HN 1.150 nan 8.150 nan 0.000 0.443 395 M N 0.841 120.455 119.600 0.022 0.000 2.132 395 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 395 M C 1.540 177.890 176.300 0.083 0.000 1.065 395 M CA 1.725 57.032 55.300 0.012 0.000 1.122 395 M CB -0.953 31.622 32.600 -0.042 0.000 1.365 395 M HN 0.511 nan 8.290 nan 0.000 0.411 396 N N -1.316 117.438 118.700 0.090 0.000 2.166 396 N HA -0.217 4.523 4.740 -0.000 0.000 0.186 396 N C 1.733 177.321 175.510 0.130 0.000 1.019 396 N CA 1.610 54.718 53.050 0.096 0.000 0.856 396 N CB -0.407 38.133 38.487 0.088 0.000 0.993 396 N HN 0.428 nan 8.380 nan 0.000 0.426 397 Y N 2.340 122.672 120.300 0.053 0.000 2.200 397 Y HA -0.160 4.390 4.550 -0.000 0.000 0.290 397 Y C 2.523 178.480 175.900 0.096 0.000 1.137 397 Y CA 1.407 59.549 58.100 0.070 0.000 1.163 397 Y CB -0.468 38.034 38.460 0.071 0.000 0.988 397 Y HN -0.033 nan 8.280 nan 0.000 0.518 398 T N 0.187 114.872 114.554 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 -0.197 68.861 68.868 0.317 0.000 0.865 398 T HN 0.267 nan 8.240 nan 0.000 0.435 399 K N 0.378 120.834 120.400 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 0.848 57.172 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 1.310 122.507 121.223 -0.045 0.000 1.994 400 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 400 L C 1.900 178.693 176.870 -0.127 0.000 1.071 400 L CA 1.579 56.361 54.840 -0.096 0.000 0.745 400 L CB -0.372 41.595 42.059 -0.153 0.000 0.892 400 L HN 0.084 nan 8.230 nan 0.000 0.431 401 I N -0.295 120.156 120.570 -0.199 0.000 2.127 401 I HA -0.316 3.854 4.170 -0.000 0.000 0.241 401 I C 2.595 178.678 176.117 -0.057 0.000 1.075 401 I CA 1.645 62.852 61.300 -0.154 0.000 1.334 401 I CB -1.259 36.641 38.000 -0.166 0.000 1.040 401 I HN 0.322 nan 8.210 nan 0.000 0.405 402 L N 0.029 121.239 121.223 -0.022 0.000 2.093 402 L HA -0.182 4.157 4.340 -0.000 0.000 0.208 402 L C 2.695 179.554 176.870 -0.019 0.000 1.085 402 L CA 1.398 56.235 54.840 -0.004 0.000 0.755 402 L CB -0.605 41.471 42.059 0.028 0.000 0.904 402 L HN 0.275 nan 8.230 nan 0.000 0.435 403 S N -0.228 115.460 115.700 -0.020 0.000 2.419 403 S HA -0.162 4.308 4.470 -0.000 0.000 0.233 403 S C 1.519 176.103 174.600 -0.025 0.000 1.016 403 S CA 1.186 59.373 58.200 -0.021 0.000 0.974 403 S CB -0.070 63.119 63.200 -0.018 0.000 0.786 403 S HN 0.401 nan 8.310 nan 0.000 0.492 404 E N 0.642 120.824 120.200 -0.029 0.000 2.499 404 E HA 0.158 4.508 4.350 -0.000 0.000 0.199 404 E C 1.529 178.116 176.600 -0.022 0.000 1.016 404 E CA -0.270 56.117 56.400 -0.022 0.000 0.933 404 E CB -0.010 29.678 29.700 -0.018 0.000 1.050 404 E HN 0.505 nan 8.360 nan 0.000 0.462 405 R N 1.471 121.952 120.500 -0.032 0.000 2.112 405 R HA -0.200 4.140 4.340 -0.000 0.000 0.242 405 R C 0.895 177.158 176.300 -0.062 0.000 1.137 405 R CA 1.878 57.952 56.100 -0.044 0.000 0.944 405 R CB 0.104 30.372 30.300 -0.053 0.000 0.857 405 R HN 0.085 nan 8.270 nan 0.000 0.435 406 D N -0.268 120.095 120.400 -0.061 0.000 2.149 406 D HA -0.159 4.481 4.640 -0.000 0.000 0.201 406 D C 2.026 178.293 176.300 -0.056 0.000 0.972 406 D CA 1.418 55.374 54.000 -0.073 0.000 0.835 406 D CB -0.220 40.541 40.800 -0.065 0.000 0.966 406 D HN 0.450 nan 8.370 nan 0.000 0.476 407 R N 0.779 121.261 120.500 -0.031 0.000 2.148 407 R HA 0.019 4.359 4.340 -0.000 0.000 0.223 407 R C 1.992 178.296 176.300 0.006 0.000 1.088 407 R CA 0.779 56.872 56.100 -0.013 0.000 0.985 407 R CB -0.429 29.870 30.300 -0.001 0.000 0.880 407 R HN 0.145 nan 8.270 nan 0.000 0.451 408 L N 0.333 121.565 121.223 0.016 0.000 2.446 408 L HA 0.281 4.621 4.340 -0.000 0.000 0.219 408 L C 0.908 177.802 176.870 0.040 0.000 1.116 408 L CA 0.506 55.389 54.840 0.071 0.000 0.844 408 L CB 0.014 42.137 42.059 0.107 0.000 0.970 408 L HN 0.627 nan 8.230 nan 0.000 0.457 409 G N 1.541 110.305 108.800 -0.061 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 0.035 174.737 174.900 -0.330 0.000 1.067 409 G CA -0.200 44.795 45.100 -0.175 0.000 0.902 409 G HN 0.300 nan 8.290 nan 0.000 0.500 410 I N 0.815 121.234 120.570 -0.251 0.000 2.294 410 I HA 0.212 4.382 4.170 -0.000 0.000 0.295 410 I C 0.913 176.809 176.117 -0.368 0.000 1.098 410 I CA -0.044 61.102 61.300 -0.256 0.000 1.277 410 I CB 0.440 38.395 38.000 -0.075 0.000 1.434 410 I HN 0.084 nan 8.210 nan 0.000 0.498 411 K N 3.374 123.286 120.400 -0.814 0.000 2.087 411 K HA 0.335 4.655 4.320 -0.000 0.000 0.255 411 K C 1.146 177.511 176.600 -0.393 0.000 0.988 411 K CA -0.461 55.305 56.287 -0.868 0.000 0.915 411 K CB 1.228 32.766 32.500 -1.605 0.000 1.043 411 K HN 0.560 nan 8.250 nan 0.000 0.457 412 T N -3.110 111.287 114.554 -0.261 0.000 3.051 412 T HA 0.046 4.396 4.350 -0.000 0.000 0.255 412 T C 0.687 175.363 174.700 -0.039 0.000 1.085 412 T CA -0.114 61.942 62.100 -0.072 0.000 1.109 412 T CB -0.141 68.690 68.868 -0.060 0.000 0.921 412 T HN 0.372 nan 8.240 nan 0.000 0.488 413 V N -1.710 118.103 119.914 -0.168 0.000 2.577 413 V HA 0.811 4.931 4.120 -0.000 0.000 0.303 413 V C -1.809 174.200 176.094 -0.142 0.000 1.042 413 V CA -1.753 60.514 62.300 -0.055 0.000 0.872 413 V CB 0.886 32.687 31.823 -0.037 0.000 0.998 413 V HN 0.351 nan 8.190 nan 0.000 0.423 414 W N 3.593 124.849 121.300 -0.074 0.000 2.844 414 W HA 0.734 5.394 4.660 0.000 0.000 0.340 414 W C -2.718 173.800 176.519 -0.002 0.000 1.093 414 W CA -2.505 54.821 57.345 -0.031 0.000 1.212 414 W CB 1.821 31.281 29.460 0.001 0.000 1.422 414 W HN 0.344 nan 8.180 nan 0.000 0.515 415 P HA 0.073 nan 4.420 nan 0.000 0.271 415 P C 0.840 178.290 177.300 0.249 0.000 1.226 415 P CA 0.384 63.605 63.100 0.202 0.000 0.765 415 P CB 0.819 32.613 31.700 0.157 0.000 0.835 416 T N 2.805 117.464 114.554 0.175 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 0.172 0.000 1.036 416 T CA 1.773 63.967 62.100 0.158 0.000 1.147 416 T CB -0.352 68.574 68.868 0.096 0.000 0.862 416 T HN 0.432 nan 8.240 nan 0.000 0.446 417 R N 1.468 122.052 120.500 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 1.855 58.026 56.100 0.118 0.000 0.959 417 R CB -0.388 29.969 30.300 0.095 0.000 0.856 417 R HN 0.475 nan 8.270 nan 0.000 0.437 418 E N -1.175 119.150 120.200 0.209 0.000 2.152 418 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 418 E C 1.579 178.364 176.600 0.307 0.000 0.983 418 E CA 1.145 57.711 56.400 0.276 0.000 0.818 418 E CB -0.205 29.701 29.700 0.344 0.000 0.758 418 E HN 0.431 nan 8.360 nan 0.000 0.467 419 Y N 1.541 121.884 120.300 0.073 0.000 2.200 419 Y HA -0.182 4.368 4.550 -0.000 0.000 0.290 419 Y C 2.357 178.161 175.900 -0.160 0.000 1.137 419 Y CA 1.637 59.490 58.100 -0.412 0.000 1.163 419 Y CB -0.338 37.727 38.460 -0.658 0.000 0.988 419 Y HN -0.110 nan 8.280 nan 0.000 0.518 420 T N 0.419 114.938 114.554 -0.059 0.000 2.684 420 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 420 T C 1.330 175.981 174.700 -0.081 0.000 1.036 420 T CA 1.758 63.804 62.100 -0.089 0.000 1.148 420 T CB -0.396 68.484 68.868 0.020 0.000 0.863 420 T HN 0.357 nan 8.240 nan 0.000 0.436 421 D N 0.442 120.849 120.400 0.012 0.000 2.123 421 D HA -0.067 4.573 4.640 -0.000 0.000 0.196 421 D C 1.665 178.013 176.300 0.079 0.000 0.992 421 D CA 0.736 54.771 54.000 0.057 0.000 0.833 421 D CB -0.501 40.356 40.800 0.097 0.000 0.954 421 D HN 0.367 nan 8.370 nan 0.000 0.455 422 F N 1.803 121.696 119.950 -0.095 0.000 2.095 422 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 422 F C 2.284 178.040 175.800 -0.074 0.000 1.104 422 F CA 1.444 59.403 58.000 -0.070 0.000 1.232 422 F CB -0.085 38.792 39.000 -0.205 0.000 0.987 422 F HN -0.205 nan 8.300 nan 0.000 0.475 423 R N 0.368 120.650 120.500 -0.364 0.000 2.096 423 R HA -0.242 4.098 4.340 -0.000 0.000 0.240 423 R C 2.363 178.536 176.300 -0.212 0.000 1.139 423 R CA 2.178 58.071 56.100 -0.345 0.000 0.952 423 R CB -0.791 29.302 30.300 -0.344 0.000 0.854 423 R HN 0.637 nan 8.270 nan 0.000 0.436 424 E N -0.613 119.503 120.200 -0.139 0.000 2.216 424 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 424 E C 1.647 178.195 176.600 -0.086 0.000 0.988 424 E CA 0.786 57.123 56.400 -0.104 0.000 0.834 424 E CB -0.292 29.374 29.700 -0.058 0.000 0.772 424 E HN 0.415 nan 8.360 nan 0.000 0.479 425 Y N 1.083 121.289 120.300 -0.157 0.000 2.130 425 Y HA -0.028 4.522 4.550 -0.000 0.000 0.287 425 Y C 1.109 176.925 175.900 -0.140 0.000 1.124 425 Y CA 0.949 58.982 58.100 -0.112 0.000 1.118 425 Y CB -0.260 38.175 38.460 -0.041 0.000 0.994 425 Y HN 0.091 nan 8.280 nan 0.000 0.497 426 F N 0.515 120.297 119.950 -0.280 0.000 2.521 426 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 426 F C 1.016 176.638 175.800 -0.296 0.000 1.289 426 F CA 0.207 57.985 58.000 -0.371 0.000 1.315 426 F CB 0.197 38.778 39.000 -0.699 0.000 1.257 426 F HN 0.135 nan 8.300 nan 0.000 0.541 427 M N 2.133 120.768 119.600 -1.610 0.000 2.212 427 M HA -0.258 4.222 4.480 -0.000 0.000 0.193 427 M C 0.271 176.256 176.300 -0.525 0.000 0.493 427 M CA 0.763 55.431 55.300 -1.053 0.000 0.427 427 M CB -1.117 31.080 32.600 -0.671 0.000 1.120 427 M HN 0.806 nan 8.290 nan 0.000 0.929 428 E N -1.086 118.839 120.200 -0.458 0.000 2.474 428 E HA 0.184 4.534 4.350 -0.000 0.000 0.195 428 E C -0.037 176.416 176.600 -0.245 0.000 1.039 428 E CA 0.131 56.349 56.400 -0.302 0.000 0.881 428 E CB 0.705 30.234 29.700 -0.284 0.000 0.970 428 E HN 0.401 nan 8.360 nan 0.000 0.486 429 V N 0.920 120.670 119.914 -0.273 0.000 2.483 429 V HA 0.573 4.693 4.120 -0.000 0.000 0.297 429 V C -0.666 175.309 176.094 -0.198 0.000 1.027 429 V CA -0.605 61.573 62.300 -0.203 0.000 0.855 429 V CB 1.623 33.346 31.823 -0.167 0.000 0.995 429 V HN 0.067 nan 8.190 nan 0.000 0.424 430 A N 3.062 125.793 122.820 -0.149 0.000 2.839 430 A HA 0.470 4.790 4.320 -0.000 0.000 0.303 430 A C -0.402 177.128 177.584 -0.090 0.000 1.181 430 A CA -0.308 51.657 52.037 -0.119 0.000 0.808 430 A CB 0.575 19.503 19.000 -0.121 0.000 1.391 430 A HN 0.635 nan 8.150 nan 0.000 0.433 431 D N 2.365 122.717 120.400 -0.080 0.000 2.615 431 D HA 0.408 5.048 4.640 -0.000 0.000 0.236 431 D C 1.153 177.422 176.300 -0.053 0.000 1.233 431 D CA 0.307 54.266 54.000 -0.068 0.000 0.829 431 D CB -0.485 40.273 40.800 -0.070 0.000 1.024 431 D HN 0.651 nan 8.370 nan 0.000 0.490 432 L N -1.494 119.700 121.223 -0.048 0.000 5.895 432 L HA -0.352 3.988 4.340 -0.000 0.000 0.053 432 L C 0.616 177.465 176.870 -0.035 0.000 2.741 432 L CA 1.242 56.060 54.840 -0.037 0.000 1.500 432 L CB -1.647 40.392 42.059 -0.033 0.000 2.928 432 L HN 0.282 nan 8.230 nan 0.000 1.023 433 N N -0.386 118.296 118.700 -0.030 0.000 3.112 433 N HA 0.647 5.387 4.740 -0.000 0.000 0.231 433 N C -0.378 175.117 175.510 -0.025 0.000 1.385 433 N CA 0.456 53.489 53.050 -0.028 0.000 0.790 433 N CB 0.492 38.966 38.487 -0.023 0.000 1.563 433 N HN 1.151 nan 8.380 nan 0.000 0.613 434 S N 1.054 116.737 115.700 -0.027 0.000 2.560 434 S HA 0.500 4.970 4.470 -0.000 0.000 0.276 434 S C -1.249 173.339 174.600 -0.019 0.000 1.350 434 S CA -0.505 57.681 58.200 -0.024 0.000 1.024 434 S CB -0.717 62.467 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 0.190 177.483 177.300 -0.012 0.000 0.590 435 P CA 0.555 63.647 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 0.564 121.779 121.223 -0.012 0.000 2.127 436 L HA -0.106 4.234 4.340 -0.000 0.000 0.203 436 L C 2.682 179.547 176.870 -0.009 0.000 1.080 436 L CA 1.642 56.476 54.840 -0.010 0.000 0.768 436 L CB -1.045 41.009 42.059 -0.010 0.000 0.924 436 L HN 0.071 nan 8.230 nan 0.000 0.444 437 K N 0.944 121.339 120.400 -0.010 0.000 2.362 437 K HA -0.116 4.204 4.320 -0.000 0.000 0.202 437 K C 1.525 178.120 176.600 -0.008 0.000 1.045 437 K CA 1.991 58.273 56.287 -0.009 0.000 0.936 437 K CB -0.824 31.670 32.500 -0.010 0.000 0.747 437 K HN 0.517 nan 8.250 nan 0.000 0.467 438 I N -1.851 118.714 120.570 -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 61.714 61.300 -0.008 0.000 1.193 438 I CB 0.745 38.740 38.000 -0.008 0.000 1.221 438 I HN 0.219 nan 8.210 nan 0.000 0.429 439 A N 1.631 124.447 122.820 -0.007 0.000 1.862 439 A HA 0.027 4.347 4.320 -0.000 0.000 0.217 439 A C 1.436 179.017 177.584 -0.005 0.000 1.251 439 A CA 2.137 54.170 52.037 -0.006 0.000 0.673 439 A CB -1.172 17.825 19.000 -0.005 0.000 0.843 439 A HN 0.416 nan 8.150 nan 0.000 0.458 440 G N 0.000 108.798 108.800 -0.004 0.000 5.446 440 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 440 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 440 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 440 G HN 0.000 nan 8.290 nan 0.000 0.925