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_K DATA FIRST_RESID 8 DATA SEQUENCE TQQIVPFIRS LLMPTTGPAS IPDDTLEKHT LRSETSTYNL TVGDTGSGLI DATA SEQUENCE VFFPGFPGSI VGAHYTLQGN GNYKFDQMLL TAQNLPASYN YCRLVSRSLT DATA SEQUENCE VRSSTLPXXX XXLNGTINAV TFQGSLSELT DVSYNGLMSA TANINDKIGN DATA SEQUENCE VLVGEGVTVL SLPTSYDLGY VRLGDPIPAI GLDPKMVATC DSSDRPRVYT DATA SEQUENCE ITAADDYQFS SQYQPGGVTI TLFSANIDAI TSLSVGGELV FRTSVHGLVL DATA SEQUENCE GATIYLIGFD GTTVITRAVA ANNGLTTGTD NLMPFNLVIP TNEITQPITS DATA SEQUENCE IKLEIVTSKS GGQAGDQMSW SARGSLAVTI HGGNYPGALR PVTLVAYERV DATA SEQUENCE ATGSVVTVAG VSNFELIPNP ELAKNLVTEY GRFDPGAMNY TKLILSERDR DATA SEQUENCE LGIKTVWPTR EYTDFREYFM EVADLNSPLK IAG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.624 174.700 -0.127 0.000 1.109 8 T CA 0.000 62.013 62.100 -0.145 0.000 1.349 8 T CB 0.000 68.836 68.868 -0.053 0.000 0.612 9 Q N 0.460 120.166 119.800 -0.157 0.000 2.285 9 Q HA 0.867 5.207 4.340 -0.000 0.000 0.269 9 Q C 0.652 176.581 176.000 -0.118 0.000 1.030 9 Q CA 0.686 56.420 55.803 -0.116 0.000 0.788 9 Q CB 0.736 29.416 28.738 -0.096 0.000 1.266 9 Q HN 2.519 nan 8.270 nan 0.000 0.438 10 Q N 0.465 120.203 119.800 -0.103 0.000 2.363 10 Q HA -0.278 4.062 4.340 -0.000 0.000 0.409 10 Q C 1.129 177.052 176.000 -0.129 0.000 1.118 10 Q CA 4.473 60.215 55.803 -0.103 0.000 0.966 10 Q CB -2.622 26.067 28.738 -0.082 0.000 1.795 10 Q HN 2.313 nan 8.270 nan 0.000 0.941 11 I N -6.419 114.079 120.570 -0.120 0.000 3.519 11 I HA 0.729 4.899 4.170 -0.000 0.000 0.314 11 I C -0.604 175.443 176.117 -0.117 0.000 1.273 11 I CA -0.591 60.630 61.300 -0.131 0.000 1.108 11 I CB 1.738 39.668 38.000 -0.118 0.000 1.212 11 I HN 0.654 nan 8.210 nan 0.000 0.420 12 V N 1.736 121.611 119.914 -0.065 0.000 2.419 12 V HA 0.291 4.411 4.120 -0.000 0.000 0.287 12 V C -1.864 174.264 176.094 0.057 0.000 1.017 12 V CA -1.097 61.184 62.300 -0.033 0.000 0.844 12 V CB 1.089 32.870 31.823 -0.070 0.000 1.011 12 V HN 0.537 nan 8.190 nan 0.000 0.429 13 P HA -0.258 nan 4.420 nan 0.000 0.219 13 P C 1.582 178.956 177.300 0.124 0.000 1.158 13 P CA 1.692 64.839 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 -0.351 119.616 119.950 0.028 0.000 2.102 14 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 14 F C 2.046 177.887 175.800 0.068 0.000 1.105 14 F CA 1.294 59.312 58.000 0.030 0.000 1.239 14 F CB -0.732 38.261 39.000 -0.010 0.000 0.991 14 F HN -0.235 nan 8.300 nan 0.000 0.474 15 I N 0.654 121.228 120.570 0.006 0.000 2.208 15 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 15 I C 2.584 178.688 176.117 -0.020 0.000 1.097 15 I CA 1.427 62.717 61.300 -0.017 0.000 1.363 15 I CB -1.309 36.847 38.000 0.259 0.000 1.051 15 I HN 0.212 nan 8.210 nan 0.000 0.413 16 R N 0.271 120.835 120.500 0.106 0.000 2.083 16 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 16 R C 2.597 178.912 176.300 0.025 0.000 1.137 16 R CA 2.140 58.333 56.100 0.155 0.000 0.951 16 R CB -0.235 30.134 30.300 0.115 0.000 0.851 16 R HN 0.227 nan 8.270 nan 0.000 0.434 17 S N 0.074 115.732 115.700 -0.071 0.000 2.368 17 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 17 S C 1.847 176.334 174.600 -0.189 0.000 1.029 17 S CA 1.133 59.270 58.200 -0.106 0.000 0.988 17 S CB -0.249 62.898 63.200 -0.088 0.000 0.838 17 S HN 0.355 nan 8.310 nan 0.000 0.462 18 L N 1.312 122.300 121.223 -0.391 0.000 2.017 18 L HA 0.131 4.471 4.340 -0.000 0.000 0.208 18 L C 1.967 178.761 176.870 -0.127 0.000 1.073 18 L CA 1.803 56.432 54.840 -0.352 0.000 0.745 18 L CB -0.451 41.272 42.059 -0.560 0.000 0.894 18 L HN 0.374 nan 8.230 nan 0.000 0.432 19 L N -1.534 119.636 121.223 -0.089 0.000 2.375 19 L HA 0.079 4.419 4.340 -0.000 0.000 0.215 19 L C 0.689 177.644 176.870 0.140 0.000 1.108 19 L CA 0.326 55.182 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 0.238 nan 8.230 nan 0.000 0.457 20 M N -0.540 119.118 119.600 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 -1.275 54.107 55.300 0.137 0.000 0.648 20 M CB 1.588 34.263 32.600 0.125 0.000 1.474 20 M HN -0.263 nan 8.290 nan 0.000 0.398 21 P HA -0.156 nan 4.420 nan 0.000 0.219 21 P C 1.358 178.658 177.300 0.001 0.000 1.146 21 P CA 1.466 64.559 63.100 -0.013 0.000 0.808 21 P CB -0.179 31.492 31.700 -0.048 0.000 0.779 22 T N -5.740 108.827 114.554 0.022 0.000 3.098 22 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 22 T C 1.697 176.412 174.700 0.024 0.000 1.145 22 T CA 1.374 63.487 62.100 0.022 0.000 1.092 22 T CB -1.423 67.465 68.868 0.034 0.000 0.908 22 T HN 0.015 nan 8.240 nan 0.000 0.526 23 T N 0.851 115.421 114.554 0.027 0.000 3.023 23 T HA 0.453 4.803 4.350 -0.000 0.000 0.266 23 T C 0.929 175.643 174.700 0.023 0.000 1.093 23 T CA 1.050 63.164 62.100 0.024 0.000 1.129 23 T CB -0.661 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 1.337 110.150 108.800 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 -3.333 171.585 174.900 0.030 0.000 1.303 24 G CA -0.960 44.158 45.100 0.030 0.000 0.966 24 G HN 0.074 nan 8.290 nan 0.000 0.560 25 P HA 0.719 nan 4.420 nan 0.000 0.283 25 P C -0.458 176.903 177.300 0.102 0.000 1.271 25 P CA 0.186 63.327 63.100 0.068 0.000 0.841 25 P CB 1.982 33.734 31.700 0.088 0.000 1.122 26 A N 0.512 123.423 122.820 0.151 0.000 2.572 26 A HA 0.601 4.921 4.320 -0.000 0.000 0.295 26 A C -0.524 177.214 177.584 0.257 0.000 1.072 26 A CA -0.541 51.618 52.037 0.203 0.000 0.691 26 A CB 0.725 19.861 19.000 0.226 0.000 1.291 26 A HN 0.382 nan 8.150 nan 0.000 0.404 27 S N 0.800 116.637 115.700 0.228 0.000 2.549 27 S HA 0.361 4.831 4.470 -0.000 0.000 0.279 27 S C 0.296 174.878 174.600 -0.032 0.000 1.321 27 S CA -0.158 58.147 58.200 0.175 0.000 1.054 27 S CB 0.069 63.438 63.200 0.281 0.000 0.899 27 S HN 0.463 nan 8.310 nan 0.000 0.497 28 I N 4.927 125.364 120.570 -0.222 0.000 2.598 28 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 28 I C -1.563 174.218 176.117 -0.559 0.000 1.140 28 I CA -1.413 59.459 61.300 -0.712 0.000 1.420 28 I CB 0.392 38.077 38.000 -0.525 0.000 1.387 28 I HN 0.427 nan 8.210 nan 0.000 0.553 29 P HA 0.111 nan 4.420 nan 0.000 0.214 29 P C -1.053 176.084 177.300 -0.272 0.000 1.807 29 P CA -0.267 62.620 63.100 -0.354 0.000 0.921 29 P CB -0.399 31.116 31.700 -0.309 0.000 1.835 30 D N -1.011 119.242 120.400 -0.245 0.000 2.541 30 D HA 0.121 4.761 4.640 -0.000 0.000 0.276 30 D C 0.445 176.725 176.300 -0.033 0.000 1.190 30 D CA -0.366 53.560 54.000 -0.124 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 0.040 4.680 4.640 -0.000 0.000 0.214 31 D C -0.010 176.318 176.300 0.046 0.000 1.063 31 D CA 0.320 54.333 54.000 0.022 0.000 0.847 31 D CB 0.084 40.895 40.800 0.019 0.000 0.933 31 D HN 0.273 nan 8.370 nan 0.000 0.513 32 T N 2.126 116.718 114.554 0.062 0.000 4.104 32 T HA 0.179 4.529 4.350 -0.000 0.000 0.285 32 T C 0.896 175.699 174.700 0.172 0.000 1.346 32 T CA -0.096 62.075 62.100 0.118 0.000 1.158 32 T CB -0.331 68.618 68.868 0.134 0.000 1.290 32 T HN 0.033 nan 8.240 nan 0.000 0.975 33 L N 3.406 124.721 121.223 0.153 0.000 2.404 33 L HA 0.254 4.594 4.340 -0.000 0.000 0.277 33 L C 0.776 177.855 176.870 0.348 0.000 1.184 33 L CA 0.050 55.031 54.840 0.235 0.000 1.013 33 L CB -0.088 42.024 42.059 0.088 0.000 1.318 33 L HN 0.379 nan 8.230 nan 0.000 0.435 34 E N 2.928 123.322 120.200 0.322 0.000 2.207 34 E HA 0.317 4.667 4.350 -0.000 0.000 0.270 34 E C -0.602 176.019 176.600 0.034 0.000 0.927 34 E CA -0.955 55.504 56.400 0.098 0.000 0.799 34 E CB 2.430 31.967 29.700 -0.272 0.000 1.172 34 E HN 0.318 nan 8.360 nan 0.000 0.404 35 K N 3.451 123.622 120.400 -0.383 0.000 2.412 35 K HA 0.051 4.371 4.320 -0.000 0.000 0.284 35 K C 0.226 176.743 176.600 -0.139 0.000 1.046 35 K CA 0.304 56.307 56.287 -0.474 0.000 0.999 35 K CB 0.144 32.315 32.500 -0.548 0.000 0.941 35 K HN 0.524 nan 8.250 nan 0.000 0.474 36 H N -0.228 118.780 119.070 -0.105 0.000 2.959 36 H HA 0.484 5.040 4.556 -0.000 0.000 0.296 36 H C -1.078 174.282 175.328 0.053 0.000 1.421 36 H CA -0.800 55.260 56.048 0.019 0.000 1.206 36 H CB 1.936 31.801 29.762 0.173 0.000 1.891 36 H HN 0.403 nan 8.280 nan 0.000 0.573 37 T N 0.596 115.266 114.554 0.193 0.000 2.906 37 T HA 0.542 4.892 4.350 -0.000 0.000 0.295 37 T C -0.896 173.944 174.700 0.233 0.000 1.061 37 T CA -0.738 61.437 62.100 0.124 0.000 1.000 37 T CB 1.116 70.062 68.868 0.130 0.000 1.103 37 T HN 0.412 nan 8.240 nan 0.000 0.486 38 L N 3.488 124.817 121.223 0.177 0.000 2.307 38 L HA 0.743 5.083 4.340 -0.000 0.000 0.284 38 L C 0.024 176.975 176.870 0.135 0.000 1.023 38 L CA -0.749 54.204 54.840 0.188 0.000 0.810 38 L CB 1.600 43.767 42.059 0.179 0.000 1.231 38 L HN 0.507 nan 8.230 nan 0.000 0.423 39 R N 0.891 121.477 120.500 0.142 0.000 2.740 39 R HA 0.601 4.941 4.340 -0.000 0.000 0.273 39 R C -1.298 175.115 176.300 0.189 0.000 0.998 39 R CA -0.471 55.713 56.100 0.140 0.000 0.900 39 R CB 2.499 32.850 30.300 0.085 0.000 1.223 39 R HN 0.521 nan 8.270 nan 0.000 0.466 40 S N 1.180 116.975 115.700 0.158 0.000 2.501 40 S HA 0.500 4.970 4.470 -0.000 0.000 0.301 40 S C -1.113 173.601 174.600 0.189 0.000 1.096 40 S CA -0.848 57.442 58.200 0.151 0.000 1.063 40 S CB 1.476 64.729 63.200 0.088 0.000 1.042 40 S HN 0.316 nan 8.310 nan 0.000 0.494 41 E N 2.333 122.676 120.200 0.238 0.000 2.224 41 E HA 0.338 4.688 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 56.037 56.400 0.219 0.000 0.759 41 E CB 2.030 31.915 29.700 0.308 0.000 1.164 41 E HN 0.725 nan 8.360 nan 0.000 0.414 42 T N -0.566 114.054 114.554 0.110 0.000 2.882 42 T HA 0.505 4.855 4.350 -0.000 0.000 0.287 42 T C 0.312 175.065 174.700 0.089 0.000 1.014 42 T CA -0.612 61.534 62.100 0.077 0.000 1.049 42 T CB 0.968 69.860 68.868 0.040 0.000 1.001 42 T HN 0.116 nan 8.240 nan 0.000 0.525 43 S N 1.334 117.086 115.700 0.087 0.000 2.519 43 S HA 0.669 5.139 4.470 -0.000 0.000 0.309 43 S C -0.315 174.308 174.600 0.039 0.000 1.100 43 S CA -0.921 57.350 58.200 0.118 0.000 1.059 43 S CB 1.403 64.754 63.200 0.252 0.000 1.008 43 S HN 1.069 nan 8.310 nan 0.000 0.478 44 T N 1.161 115.613 114.554 -0.170 0.000 2.881 44 T HA 0.716 5.066 4.350 -0.000 0.000 0.291 44 T C -1.316 173.076 174.700 -0.513 0.000 0.990 44 T CA -0.522 61.460 62.100 -0.197 0.000 0.976 44 T CB 0.427 69.205 68.868 -0.150 0.000 0.970 44 T HN 0.421 nan 8.240 nan 0.000 0.438 45 Y N 1.458 121.763 120.300 0.009 0.000 2.457 45 Y HA 0.552 5.102 4.550 -0.000 0.000 0.343 45 Y C -0.181 175.695 175.900 -0.041 0.000 0.994 45 Y CA -1.229 56.862 58.100 -0.016 0.000 1.031 45 Y CB 2.335 40.781 38.460 -0.023 0.000 1.246 45 Y HN 0.571 nan 8.280 nan 0.000 0.449 46 N N 3.959 122.714 118.700 0.092 0.000 2.621 46 N HA 0.382 5.122 4.740 -0.000 0.000 0.237 46 N C -1.304 174.212 175.510 0.009 0.000 0.997 46 N CA -0.298 52.767 53.050 0.025 0.000 0.918 46 N CB 0.934 39.423 38.487 0.003 0.000 1.122 46 N HN 0.548 nan 8.380 nan 0.000 0.510 47 L N 0.957 122.142 121.223 -0.062 0.000 2.350 47 L HA 0.427 4.767 4.340 -0.000 0.000 0.275 47 L C 0.719 177.548 176.870 -0.069 0.000 1.099 47 L CA -0.398 54.370 54.840 -0.121 0.000 0.808 47 L CB 0.799 42.596 42.059 -0.436 0.000 1.149 47 L HN 0.172 nan 8.230 nan 0.000 0.442 48 T N 1.836 116.402 114.554 0.020 0.000 2.799 48 T HA 0.338 4.688 4.350 -0.000 0.000 0.286 48 T C 0.086 174.853 174.700 0.110 0.000 0.973 48 T CA -0.485 61.641 62.100 0.042 0.000 1.035 48 T CB 1.661 70.556 68.868 0.044 0.000 0.932 48 T HN 0.205 nan 8.240 nan 0.000 0.469 49 V N 3.482 123.444 119.914 0.080 0.000 2.555 49 V HA 0.458 4.578 4.120 -0.000 0.000 0.286 49 V C 1.219 177.392 176.094 0.132 0.000 1.044 49 V CA -0.265 62.129 62.300 0.155 0.000 1.026 49 V CB 1.014 32.901 31.823 0.107 0.000 0.981 49 V HN 1.046 nan 8.190 nan 0.000 0.480 50 G N 2.366 111.259 108.800 0.155 0.000 2.535 50 G HA2 0.173 4.133 3.960 -0.000 0.000 0.282 50 G HA3 0.173 4.133 3.960 -0.000 0.000 0.282 50 G C 0.543 175.479 174.900 0.060 0.000 1.350 50 G CA -0.234 44.917 45.100 0.086 0.000 1.039 50 G HN 0.674 nan 8.290 nan 0.000 0.509 51 D N -0.509 119.909 120.400 0.030 0.000 2.158 51 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 51 D C 2.797 179.101 176.300 0.007 0.000 0.995 51 D CA 2.106 56.114 54.000 0.014 0.000 0.846 51 D CB -0.262 40.539 40.800 0.001 0.000 0.941 51 D HN 0.450 nan 8.370 nan 0.000 0.456 52 T N -3.594 110.960 114.554 -0.001 0.000 3.088 52 T HA 0.224 4.574 4.350 -0.000 0.000 0.259 52 T C 1.665 176.363 174.700 -0.003 0.000 1.122 52 T CA 0.845 62.933 62.100 -0.021 0.000 1.095 52 T CB 0.153 68.986 68.868 -0.058 0.000 0.930 52 T HN 0.218 nan 8.240 nan 0.000 0.508 53 G N 0.227 109.054 108.800 0.046 0.000 2.160 53 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.251 53 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.251 53 G C 0.043 175.027 174.900 0.141 0.000 1.008 53 G CA 0.290 45.448 45.100 0.096 0.000 0.724 53 G HN 0.999 nan 8.290 nan 0.000 0.514 54 S N -1.331 114.406 115.700 0.061 0.000 2.546 54 S HA 0.929 5.399 4.470 -0.000 0.000 0.274 54 S C 0.103 174.489 174.600 -0.357 0.000 1.121 54 S CA 0.718 58.824 58.200 -0.156 0.000 0.887 54 S CB 1.849 64.953 63.200 -0.160 0.000 1.094 54 S HN 1.932 nan 8.310 nan 0.000 0.474 55 G N 1.104 109.365 108.800 -0.897 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 -2.475 172.167 174.900 -0.430 0.000 1.339 55 G CA -0.524 44.215 45.100 -0.602 0.000 0.803 55 G HN 1.001 nan 8.290 nan 0.000 0.482 56 L N -0.134 121.123 121.223 0.056 0.000 2.464 56 L HA 0.780 5.120 4.340 -0.000 0.000 0.266 56 L C -1.216 175.766 176.870 0.188 0.000 0.965 56 L CA -0.652 54.252 54.840 0.106 0.000 0.833 56 L CB 1.794 43.850 42.059 -0.006 0.000 1.296 56 L HN 0.519 nan 8.230 nan 0.000 0.405 57 I N 5.350 125.965 120.570 0.074 0.000 2.339 57 I HA 0.444 4.614 4.170 -0.000 0.000 0.290 57 I C -0.655 175.224 176.117 -0.398 0.000 0.994 57 I CA -0.908 60.286 61.300 -0.176 0.000 1.191 57 I CB 1.848 39.633 38.000 -0.357 0.000 1.343 57 I HN 0.255 nan 8.210 nan 0.000 0.458 58 V N 7.294 126.930 119.914 -0.464 0.000 2.350 58 V HA 0.362 4.482 4.120 -0.000 0.000 0.276 58 V C -0.271 175.342 176.094 -0.801 0.000 1.028 58 V CA -0.326 61.640 62.300 -0.556 0.000 0.860 58 V CB 0.820 32.337 31.823 -0.510 0.000 0.990 58 V HN 0.403 nan 8.190 nan 0.000 0.453 59 F N 4.085 123.760 119.950 -0.457 0.000 2.458 59 F HA 0.582 5.109 4.527 -0.000 0.000 0.330 59 F C -0.011 175.464 175.800 -0.541 0.000 1.082 59 F CA -0.625 57.125 58.000 -0.417 0.000 0.995 59 F CB 1.749 40.658 39.000 -0.153 0.000 1.170 59 F HN 0.366 nan 8.300 nan 0.000 0.478 60 F N 3.611 123.734 119.950 0.289 0.000 2.334 60 F HA 0.279 4.806 4.527 -0.000 0.000 0.343 60 F C -1.635 174.310 175.800 0.242 0.000 1.136 60 F CA -1.812 56.329 58.000 0.235 0.000 1.237 60 F CB 0.244 39.376 39.000 0.220 0.000 1.525 60 F HN 0.268 nan 8.300 nan 0.000 0.528 61 P HA -0.133 nan 4.420 nan 0.000 0.219 61 P C 1.391 178.796 177.300 0.175 0.000 1.146 61 P CA 1.249 64.441 63.100 0.154 0.000 0.808 61 P CB 0.316 32.060 31.700 0.074 0.000 0.779 62 G N -1.686 107.249 108.800 0.226 0.000 3.337 62 G HA2 0.046 4.006 3.960 -0.000 0.000 0.246 62 G HA3 0.046 4.006 3.960 -0.000 0.000 0.246 62 G C -0.162 174.892 174.900 0.257 0.000 1.131 62 G CA -0.391 44.821 45.100 0.186 0.000 0.773 62 G HN 0.152 nan 8.290 nan 0.000 0.544 63 F N 3.176 123.260 119.950 0.224 0.000 2.571 63 F HA 0.285 4.812 4.527 -0.000 0.000 0.384 63 F C -1.595 174.355 175.800 0.250 0.000 1.058 63 F CA -2.455 55.679 58.000 0.223 0.000 1.200 63 F CB 1.106 40.241 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 -0.051 177.178 177.300 -0.119 0.000 1.794 64 P CA 0.358 63.404 63.100 -0.090 0.000 1.088 64 P CB 0.236 31.804 31.700 -0.220 0.000 1.923 65 G N 0.430 109.418 108.800 0.314 0.000 2.368 65 G HA2 0.002 3.962 3.960 -0.000 0.000 0.269 65 G HA3 0.002 3.962 3.960 -0.000 0.000 0.269 65 G C 0.220 175.375 174.900 0.426 0.000 1.291 65 G CA -0.348 44.902 45.100 0.250 0.000 0.903 65 G HN -0.040 nan 8.290 nan 0.000 0.483 66 S N -0.421 115.459 115.700 0.300 0.000 2.593 66 S HA 0.294 4.764 4.470 -0.000 0.000 0.217 66 S C 0.930 175.620 174.600 0.150 0.000 0.966 66 S CA 0.064 58.381 58.200 0.195 0.000 0.914 66 S CB -0.253 63.011 63.200 0.106 0.000 0.776 66 S HN 0.348 nan 8.310 nan 0.000 0.523 67 I N 1.325 121.877 120.570 -0.030 0.000 2.337 67 I HA 0.146 4.316 4.170 -0.000 0.000 0.291 67 I C 0.836 176.930 176.117 -0.038 0.000 1.046 67 I CA -0.127 61.004 61.300 -0.282 0.000 1.324 67 I CB 1.441 38.902 38.000 -0.899 0.000 1.409 67 I HN -0.059 nan 8.210 nan 0.000 0.494 68 V N 5.327 125.343 119.914 0.169 0.000 2.922 68 V HA 0.436 4.556 4.120 -0.000 0.000 0.242 68 V C 0.944 177.277 176.094 0.399 0.000 1.094 68 V CA 1.063 63.553 62.300 0.316 0.000 1.106 68 V CB 0.416 32.426 31.823 0.312 0.000 0.799 68 V HN 0.962 nan 8.190 nan 0.000 0.474 69 G N -1.124 107.826 108.800 0.250 0.000 2.348 69 G HA2 0.660 4.620 3.960 -0.000 0.000 0.296 69 G HA3 0.660 4.620 3.960 -0.000 0.000 0.296 69 G C -1.838 173.034 174.900 -0.046 0.000 1.258 69 G CA 0.155 45.247 45.100 -0.013 0.000 0.868 69 G HN 0.658 nan 8.290 nan 0.000 0.488 70 A N -0.620 122.071 122.820 -0.215 0.000 2.549 70 A HA 0.791 5.111 4.320 -0.000 0.000 0.297 70 A C -1.284 176.128 177.584 -0.286 0.000 1.061 70 A CA -0.442 51.498 52.037 -0.162 0.000 0.690 70 A CB 1.548 20.561 19.000 0.022 0.000 1.287 70 A HN 1.203 nan 8.150 nan 0.000 0.402 71 H N 1.218 119.990 119.070 -0.498 0.000 2.466 71 H HA 0.645 5.201 4.556 -0.000 0.000 0.338 71 H C -1.803 173.227 175.328 -0.497 0.000 1.091 71 H CA -0.286 55.529 56.048 -0.388 0.000 1.207 71 H CB 0.908 30.491 29.762 -0.298 0.000 1.466 71 H HN 0.613 nan 8.280 nan 0.000 0.493 72 Y N 2.124 122.207 120.300 -0.362 0.000 2.425 72 Y HA 0.171 4.721 4.550 -0.000 0.000 0.344 72 Y C 0.457 176.187 175.900 -0.284 0.000 0.969 72 Y CA -0.825 57.143 58.100 -0.219 0.000 1.052 72 Y CB 2.136 40.661 38.460 0.110 0.000 1.215 72 Y HN 0.581 nan 8.280 nan 0.000 0.451 73 T N 0.562 115.068 114.554 -0.080 0.000 2.922 73 T HA 0.571 4.921 4.350 -0.000 0.000 0.285 73 T C -0.757 173.984 174.700 0.069 0.000 1.005 73 T CA -0.755 61.343 62.100 -0.005 0.000 1.061 73 T CB 1.395 70.253 68.868 -0.016 0.000 1.007 73 T HN 0.461 nan 8.240 nan 0.000 0.502 74 L N 1.867 123.055 121.223 -0.058 0.000 2.334 74 L HA 0.447 4.787 4.340 -0.000 0.000 0.277 74 L C -0.054 176.716 176.870 -0.167 0.000 1.075 74 L CA -0.032 54.650 54.840 -0.263 0.000 0.804 74 L CB 1.146 42.988 42.059 -0.362 0.000 1.174 74 L HN 0.761 nan 8.230 nan 0.000 0.438 75 Q N 2.357 122.044 119.800 -0.187 0.000 2.297 75 Q HA 0.357 4.697 4.340 -0.000 0.000 0.269 75 Q C 0.918 176.851 176.000 -0.112 0.000 1.051 75 Q CA -0.176 55.560 55.803 -0.110 0.000 0.869 75 Q CB 1.455 30.147 28.738 -0.077 0.000 1.346 75 Q HN 0.899 nan 8.270 nan 0.000 0.457 76 G N 1.637 110.392 108.800 -0.075 0.000 2.556 76 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.220 76 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.220 76 G C 0.884 175.739 174.900 -0.076 0.000 1.156 76 G CA 1.423 46.483 45.100 -0.067 0.000 0.766 76 G HN 0.844 nan 8.290 nan 0.000 0.583 77 N N 0.813 119.467 118.700 -0.077 0.000 2.515 77 N HA 0.131 4.871 4.740 -0.000 0.000 0.191 77 N C 1.554 177.002 175.510 -0.103 0.000 1.182 77 N CA 1.018 54.021 53.050 -0.078 0.000 0.879 77 N CB 0.053 38.501 38.487 -0.064 0.000 0.984 77 N HN 0.584 nan 8.380 nan 0.000 0.453 78 G N 0.413 109.129 108.800 -0.141 0.000 2.176 78 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.253 78 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.253 78 G C -0.215 174.532 174.900 -0.255 0.000 0.979 78 G CA -0.193 44.794 45.100 -0.189 0.000 0.641 78 G HN 0.430 nan 8.290 nan 0.000 0.530 79 N N -0.142 118.431 118.700 -0.212 0.000 2.515 79 N HA 0.554 5.294 4.740 -0.000 0.000 0.279 79 N C -0.079 175.274 175.510 -0.261 0.000 1.164 79 N CA -0.260 52.670 53.050 -0.200 0.000 0.982 79 N CB 0.449 38.874 38.487 -0.102 0.000 1.170 79 N HN 0.231 nan 8.380 nan 0.000 0.474 80 Y N 0.291 120.523 120.300 -0.113 0.000 2.301 80 Y HA 0.238 4.788 4.550 -0.000 0.000 0.328 80 Y C 1.012 176.944 175.900 0.053 0.000 1.242 80 Y CA 0.104 58.187 58.100 -0.030 0.000 1.323 80 Y CB 1.015 39.431 38.460 -0.073 0.000 1.266 80 Y HN 0.194 nan 8.280 nan 0.000 0.527 81 K N 3.280 123.868 120.400 0.313 0.000 2.471 81 K HA 0.254 4.574 4.320 -0.000 0.000 0.252 81 K C -1.440 175.367 176.600 0.344 0.000 0.938 81 K CA -0.802 55.646 56.287 0.269 0.000 0.796 81 K CB 0.901 33.474 32.500 0.121 0.000 1.161 81 K HN 0.559 nan 8.250 nan 0.000 0.425 82 F N 3.830 123.925 119.950 0.242 0.000 2.607 82 F HA -0.029 4.498 4.527 -0.000 0.000 0.374 82 F C 0.885 176.619 175.800 -0.109 0.000 1.104 82 F CA 0.682 58.676 58.000 -0.010 0.000 1.296 82 F CB 0.802 39.821 39.000 0.032 0.000 1.085 82 F HN 0.818 nan 8.300 nan 0.000 0.584 83 D N 2.324 122.130 120.400 -0.990 0.000 2.805 83 D HA 0.107 4.747 4.640 -0.000 0.000 0.271 83 D C -0.615 175.003 176.300 -1.136 0.000 1.166 83 D CA 0.919 54.458 54.000 -0.769 0.000 1.004 83 D CB 0.220 40.758 40.800 -0.436 0.000 1.136 83 D HN 0.676 nan 8.370 nan 0.000 0.444 84 Q N -0.874 118.162 119.800 -1.274 0.000 2.578 84 Q HA 0.322 4.662 4.340 -0.000 0.000 0.284 84 Q C -1.091 174.647 176.000 -0.437 0.000 0.960 84 Q CA -1.037 54.281 55.803 -0.809 0.000 0.809 84 Q CB 1.109 29.647 28.738 -0.333 0.000 1.462 84 Q HN -0.047 nan 8.270 nan 0.000 0.392 85 M N 1.809 121.399 119.600 -0.016 0.000 2.243 85 M HA 0.354 4.833 4.480 -0.000 0.000 0.341 85 M C -0.522 175.649 176.300 -0.215 0.000 1.130 85 M CA -0.006 55.306 55.300 0.021 0.000 1.162 85 M CB 0.000 32.666 32.600 0.110 0.000 1.497 85 M HN 0.615 nan 8.290 nan 0.000 0.456 86 L N 4.701 125.775 121.223 -0.249 0.000 2.272 86 L HA 0.553 4.893 4.340 -0.000 0.000 0.289 86 L C -0.448 176.416 176.870 -0.011 0.000 1.032 86 L CA -0.373 54.189 54.840 -0.463 0.000 0.810 86 L CB 0.665 42.492 42.059 -0.385 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 0.519 177.595 176.870 0.343 0.000 1.019 87 L CA -0.799 54.209 54.840 0.278 0.000 0.823 87 L CB 1.931 44.126 42.059 0.227 0.000 1.358 87 L HN 0.384 nan 8.230 nan 0.000 0.432 88 T N 0.266 114.968 114.554 0.246 0.000 2.903 88 T HA 0.090 4.440 4.350 -0.000 0.000 0.314 88 T C 1.141 175.933 174.700 0.154 0.000 1.078 88 T CA 0.519 62.747 62.100 0.214 0.000 1.114 88 T CB 1.397 70.389 68.868 0.205 0.000 0.987 88 T HN 0.728 nan 8.240 nan 0.000 0.548 89 A N 2.634 125.521 122.820 0.112 0.000 1.908 89 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 89 A C 1.028 178.649 177.584 0.062 0.000 1.181 89 A CA 1.458 53.528 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 -1.531 118.317 119.800 0.080 0.000 2.433 90 Q HA 0.491 4.831 4.340 -0.000 0.000 0.279 90 Q C -1.220 174.825 176.000 0.076 0.000 1.105 90 Q CA -0.980 54.866 55.803 0.072 0.000 0.815 90 Q CB 0.782 29.562 28.738 0.069 0.000 1.403 90 Q HN 0.136 nan 8.270 nan 0.000 0.435 91 N N 1.600 120.338 118.700 0.065 0.000 2.415 91 N HA 0.131 4.871 4.740 -0.000 0.000 0.250 91 N C 0.483 176.030 175.510 0.061 0.000 1.127 91 N CA -0.009 53.077 53.050 0.060 0.000 0.945 91 N CB 0.316 38.832 38.487 0.049 0.000 1.196 91 N HN 0.765 nan 8.380 nan 0.000 0.499 92 L N 4.475 125.729 121.223 0.053 0.000 2.043 92 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 92 L C -0.667 176.270 176.870 0.112 0.000 1.075 92 L CA 1.262 56.154 54.840 0.087 0.000 0.752 92 L CB -1.064 40.939 42.059 -0.094 0.000 0.891 92 L HN 0.519 nan 8.230 nan 0.000 0.432 93 P HA -0.128 nan 4.420 nan 0.000 0.228 93 P C 1.091 178.392 177.300 0.002 0.000 1.151 93 P CA 1.256 64.369 63.100 0.022 0.000 0.770 93 P CB -0.018 31.688 31.700 0.010 0.000 0.786 94 A N -1.283 121.540 122.820 0.005 0.000 2.119 94 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 94 A C 2.009 179.546 177.584 -0.077 0.000 1.152 94 A CA 1.540 53.562 52.037 -0.025 0.000 0.708 94 A CB -0.552 18.442 19.000 -0.011 0.000 0.805 94 A HN 0.140 nan 8.150 nan 0.000 0.460 95 S N -2.787 112.842 115.700 -0.119 0.000 2.631 95 S HA 0.338 4.808 4.470 -0.000 0.000 0.246 95 S C -0.419 173.823 174.600 -0.597 0.000 1.068 95 S CA -0.244 57.734 58.200 -0.370 0.000 0.995 95 S CB 0.150 63.059 63.200 -0.485 0.000 0.944 95 S HN 0.497 nan 8.310 nan 0.000 0.529 96 Y N 1.045 121.332 120.300 -0.022 0.000 2.536 96 Y HA 0.522 5.072 4.550 -0.000 0.000 0.347 96 Y C 0.712 176.584 175.900 -0.047 0.000 1.000 96 Y CA -1.074 57.020 58.100 -0.011 0.000 1.051 96 Y CB 1.052 39.510 38.460 -0.003 0.000 1.259 96 Y HN -0.147 nan 8.280 nan 0.000 0.468 97 N N -0.013 118.756 118.700 0.115 0.000 2.407 97 N HA 0.085 4.825 4.740 -0.000 0.000 0.182 97 N C -1.153 174.155 175.510 -0.337 0.000 1.079 97 N CA 0.524 53.498 53.050 -0.127 0.000 0.882 97 N CB 0.448 38.853 38.487 -0.136 0.000 1.106 97 N HN 0.532 nan 8.380 nan 0.000 0.461 98 Y N -1.027 119.350 120.300 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 0.158 0.000 1.039 98 Y CB 2.210 40.773 38.460 0.173 0.000 1.271 98 Y HN -0.111 nan 8.280 nan 0.000 0.467 99 C N 2.432 121.944 119.300 0.352 0.000 3.239 99 C HA 0.846 5.306 4.460 -0.000 0.000 0.329 99 C C -1.793 173.175 174.990 -0.037 0.000 1.252 99 C CA -0.715 58.385 59.018 0.137 0.000 1.323 99 C CB 1.816 29.546 27.740 -0.016 0.000 1.663 99 C HN 1.031 nan 8.230 nan 0.000 0.487 100 R N 2.680 123.139 120.500 -0.068 0.000 2.548 100 R HA 0.661 5.001 4.340 -0.000 0.000 0.280 100 R C -1.747 174.606 176.300 0.089 0.000 1.061 100 R CA -0.649 55.373 56.100 -0.130 0.000 0.915 100 R CB 1.684 31.650 30.300 -0.556 0.000 1.210 100 R HN 0.816 nan 8.270 nan 0.000 0.442 101 L N 4.696 125.992 121.223 0.122 0.000 2.319 101 L HA 0.229 4.569 4.340 -0.000 0.000 0.280 101 L C 0.144 177.034 176.870 0.034 0.000 1.099 101 L CA 0.386 55.254 54.840 0.047 0.000 0.828 101 L CB 1.610 43.710 42.059 0.068 0.000 1.150 101 L HN 0.635 nan 8.230 nan 0.000 0.442 102 V N 2.551 122.443 119.914 -0.036 0.000 2.492 102 V HA 0.258 4.378 4.120 -0.000 0.000 0.241 102 V C 0.563 176.717 176.094 0.100 0.000 1.041 102 V CA 1.132 63.496 62.300 0.107 0.000 1.057 102 V CB 0.042 31.922 31.823 0.095 0.000 0.711 102 V HN 0.941 nan 8.190 nan 0.000 0.468 103 S N -0.300 115.364 115.700 -0.059 0.000 2.597 103 S HA 0.717 5.187 4.470 -0.000 0.000 0.274 103 S C -0.943 173.576 174.600 -0.134 0.000 1.132 103 S CA -0.916 57.240 58.200 -0.074 0.000 0.835 103 S CB 2.619 65.760 63.200 -0.099 0.000 1.092 103 S HN 0.486 nan 8.310 nan 0.000 0.457 104 R N 0.443 120.882 120.500 -0.102 0.000 2.563 104 R HA 0.666 5.006 4.340 -0.000 0.000 0.262 104 R C -1.692 174.538 176.300 -0.117 0.000 1.128 104 R CA 0.003 56.035 56.100 -0.114 0.000 0.969 104 R CB 1.693 31.933 30.300 -0.101 0.000 1.251 104 R HN 1.306 nan 8.270 nan 0.000 0.442 105 S N 3.994 119.614 115.700 -0.134 0.000 2.549 105 S HA 0.779 5.249 4.470 -0.000 0.000 0.280 105 S C -1.164 173.309 174.600 -0.211 0.000 1.109 105 S CA -0.800 57.283 58.200 -0.195 0.000 0.905 105 S CB 1.757 64.828 63.200 -0.216 0.000 1.081 105 S HN 0.433 nan 8.310 nan 0.000 0.477 106 L N 1.268 122.316 121.223 -0.291 0.000 2.409 106 L HA 0.701 5.041 4.340 -0.000 0.000 0.262 106 L C -0.368 176.369 176.870 -0.222 0.000 0.992 106 L CA -0.454 54.214 54.840 -0.287 0.000 0.817 106 L CB 2.756 44.468 42.059 -0.579 0.000 1.350 106 L HN 0.774 nan 8.230 nan 0.000 0.411 107 T N 1.426 115.915 114.554 -0.109 0.000 2.807 107 T HA 0.675 5.025 4.350 -0.000 0.000 0.279 107 T C -1.009 173.706 174.700 0.024 0.000 0.993 107 T CA -0.372 61.699 62.100 -0.049 0.000 0.970 107 T CB 1.725 70.573 68.868 -0.034 0.000 0.950 107 T HN 0.215 nan 8.240 nan 0.000 0.441 108 V N 5.754 125.699 119.914 0.052 0.000 2.443 108 V HA 0.688 4.808 4.120 -0.000 0.000 0.293 108 V C -0.241 175.880 176.094 0.044 0.000 1.021 108 V CA -0.839 61.508 62.300 0.079 0.000 0.848 108 V CB 1.366 33.282 31.823 0.156 0.000 0.998 108 V HN 0.903 nan 8.190 nan 0.000 0.424 109 R N 2.383 122.890 120.500 0.011 0.000 2.680 109 R HA 0.695 5.035 4.340 -0.000 0.000 0.269 109 R C -0.586 175.694 176.300 -0.032 0.000 1.026 109 R CA -0.579 55.522 56.100 0.001 0.000 0.889 109 R CB 1.825 32.134 30.300 0.015 0.000 1.241 109 R HN 0.602 nan 8.270 nan 0.000 0.463 110 S N 0.370 116.048 115.700 -0.037 0.000 2.580 110 S HA 0.186 4.656 4.470 -0.000 0.000 0.274 110 S C 0.600 175.184 174.600 -0.027 0.000 1.329 110 S CA 0.083 58.253 58.200 -0.051 0.000 1.036 110 S CB 1.395 64.567 63.200 -0.047 0.000 0.919 110 S HN 0.864 nan 8.310 nan 0.000 0.515 111 S N 0.851 116.534 115.700 -0.030 0.000 2.628 111 S HA 0.286 4.756 4.470 -0.000 0.000 0.246 111 S C 0.243 174.834 174.600 -0.014 0.000 1.062 111 S CA -0.104 58.086 58.200 -0.017 0.000 1.028 111 S CB -0.093 63.097 63.200 -0.017 0.000 0.985 111 S HN 0.820 nan 8.310 nan 0.000 0.551 112 T N 2.812 117.355 114.554 -0.019 0.000 2.906 112 T HA 0.754 5.104 4.350 -0.000 0.000 0.295 112 T C -1.112 173.581 174.700 -0.012 0.000 1.075 112 T CA -0.918 61.174 62.100 -0.013 0.000 1.005 112 T CB 1.895 70.756 68.868 -0.012 0.000 1.136 112 T HN 0.500 nan 8.240 nan 0.000 0.498 113 L N -0.612 120.608 121.223 -0.006 0.000 2.431 113 L HA 0.873 5.213 4.340 -0.000 0.000 0.266 113 L C -2.782 174.087 176.870 -0.000 0.000 0.978 113 L CA -2.083 52.755 54.840 -0.003 0.000 0.822 113 L CB 0.104 42.163 42.059 -0.000 0.000 1.310 113 L HN 0.363 nan 8.230 nan 0.000 0.409 121 N N 3.232 121.942 118.700 0.017 0.000 2.886 121 N HA 0.685 5.425 4.740 -0.000 0.000 0.285 121 N C 0.224 175.752 175.510 0.030 0.000 1.706 121 N CA 0.637 53.698 53.050 0.018 0.000 0.904 121 N CB 1.201 39.694 38.487 0.009 0.000 1.224 121 N HN 1.029 nan 8.380 nan 0.000 0.488 122 G N 0.122 108.941 108.800 0.032 0.000 2.642 122 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.231 122 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.231 122 G C -0.382 174.559 174.900 0.068 0.000 1.338 122 G CA -0.146 44.978 45.100 0.039 0.000 0.883 122 G HN 0.652 nan 8.290 nan 0.000 0.570 123 T N -2.494 112.118 114.554 0.096 0.000 2.865 123 T HA 0.759 5.109 4.350 -0.000 0.000 0.294 123 T C -0.425 174.459 174.700 0.307 0.000 1.119 123 T CA -0.569 61.633 62.100 0.170 0.000 1.007 123 T CB 2.240 71.215 68.868 0.179 0.000 1.225 123 T HN 1.125 nan 8.240 nan 0.000 0.515 124 I N 1.640 122.400 120.570 0.317 0.000 2.498 124 I HA 0.465 4.635 4.170 -0.000 0.000 0.290 124 I C -0.993 175.225 176.117 0.169 0.000 1.032 124 I CA -0.963 60.533 61.300 0.326 0.000 1.073 124 I CB 2.176 40.303 38.000 0.212 0.000 1.251 124 I HN 0.556 nan 8.210 nan 0.000 0.426 125 N N 4.219 122.884 118.700 -0.059 0.000 2.361 125 N HA 0.830 5.569 4.740 -0.000 0.000 0.302 125 N C -1.129 174.298 175.510 -0.139 0.000 1.074 125 N CA -0.490 52.388 53.050 -0.287 0.000 0.850 125 N CB 2.321 40.319 38.487 -0.815 0.000 1.228 125 N HN 0.702 nan 8.380 nan 0.000 0.491 126 A N 0.683 123.451 122.820 -0.086 0.000 2.515 126 A HA 0.795 5.115 4.320 -0.000 0.000 0.298 126 A C -1.170 176.389 177.584 -0.042 0.000 1.059 126 A CA -0.592 51.426 52.037 -0.031 0.000 0.698 126 A CB 1.012 20.029 19.000 0.028 0.000 1.289 126 A HN 0.382 nan 8.150 nan 0.000 0.404 127 V N -1.100 118.802 119.914 -0.020 0.000 3.049 127 V HA 0.805 4.925 4.120 -0.000 0.000 0.309 127 V C -0.306 175.808 176.094 0.033 0.000 1.148 127 V CA -0.724 61.573 62.300 -0.005 0.000 0.990 127 V CB 1.608 33.434 31.823 0.004 0.000 1.039 127 V HN 0.810 nan 8.190 nan 0.000 0.430 128 T N 3.783 118.358 114.554 0.035 0.000 2.758 128 T HA 0.606 4.956 4.350 -0.000 0.000 0.285 128 T C -0.933 173.837 174.700 0.116 0.000 0.981 128 T CA 0.083 62.220 62.100 0.062 0.000 0.965 128 T CB 0.759 69.635 68.868 0.013 0.000 0.927 128 T HN 0.660 nan 8.240 nan 0.000 0.448 129 F N 2.737 122.676 119.950 -0.018 0.000 2.436 129 F HA 0.345 4.872 4.527 -0.000 0.000 0.340 129 F C 0.820 176.621 175.800 0.002 0.000 1.113 129 F CA -0.952 57.040 58.000 -0.012 0.000 1.022 129 F CB 1.463 40.456 39.000 -0.012 0.000 1.128 129 F HN 0.462 nan 8.300 nan 0.000 0.466 130 Q N 4.601 124.018 119.800 -0.638 0.000 2.404 130 Q HA 0.313 4.653 4.340 -0.000 0.000 0.272 130 Q C 0.033 175.612 176.000 -0.701 0.000 0.939 130 Q CA -0.132 55.363 55.803 -0.514 0.000 0.945 130 Q CB 0.022 28.555 28.738 -0.341 0.000 1.195 130 Q HN 0.888 nan 8.270 nan 0.000 0.415 131 G N -0.624 107.647 108.800 -0.881 0.000 2.645 131 G HA2 0.383 4.343 3.960 -0.000 0.000 0.292 131 G HA3 0.383 4.343 3.960 -0.000 0.000 0.292 131 G C -0.891 174.097 174.900 0.147 0.000 1.415 131 G CA -0.646 44.207 45.100 -0.412 0.000 0.785 131 G HN 0.207 nan 8.290 nan 0.000 0.483 132 S N -0.625 115.241 115.700 0.276 0.000 2.669 132 S HA 0.372 4.842 4.470 -0.000 0.000 0.270 132 S C 1.434 176.250 174.600 0.359 0.000 1.225 132 S CA -0.424 57.963 58.200 0.312 0.000 0.991 132 S CB 1.483 64.826 63.200 0.240 0.000 0.987 132 S HN 0.898 nan 8.310 nan 0.000 0.552 133 L N 1.735 123.120 121.223 0.270 0.000 2.013 133 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 133 L C 2.545 179.478 176.870 0.105 0.000 1.073 133 L CA 2.706 57.624 54.840 0.131 0.000 0.753 133 L CB -1.496 40.616 42.059 0.089 0.000 0.890 133 L HN 0.990 nan 8.230 nan 0.000 0.432 134 S N -1.919 113.872 115.700 0.151 0.000 2.507 134 S HA -0.118 4.352 4.470 -0.000 0.000 0.235 134 S C 1.602 176.264 174.600 0.104 0.000 0.988 134 S CA 0.957 59.231 58.200 0.124 0.000 0.944 134 S CB -0.614 62.645 63.200 0.098 0.000 0.762 134 S HN 0.678 nan 8.310 nan 0.000 0.526 135 E N 0.428 120.726 120.200 0.163 0.000 2.371 135 E HA 0.214 4.564 4.350 -0.000 0.000 0.194 135 E C -0.162 176.471 176.600 0.054 0.000 1.012 135 E CA -0.148 56.376 56.400 0.207 0.000 0.860 135 E CB -0.084 29.854 29.700 0.396 0.000 0.811 135 E HN 0.522 nan 8.360 nan 0.000 0.502 136 L N 1.987 123.054 121.223 -0.261 0.000 2.513 136 L HA -0.041 4.299 4.340 -0.000 0.000 0.272 136 L C 1.771 178.516 176.870 -0.210 0.000 1.187 136 L CA 0.120 54.633 54.840 -0.546 0.000 0.895 136 L CB 0.734 42.435 42.059 -0.596 0.000 1.147 136 L HN 0.168 nan 8.230 nan 0.000 0.483 137 T N -1.872 112.584 114.554 -0.162 0.000 2.985 137 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 137 T C 0.433 175.092 174.700 -0.068 0.000 1.076 137 T CA 0.324 62.382 62.100 -0.071 0.000 1.135 137 T CB 0.119 68.968 68.868 -0.032 0.000 0.890 137 T HN 0.511 nan 8.240 nan 0.000 0.480 138 D N 0.779 121.122 120.400 -0.095 0.000 2.736 138 D HA 0.309 4.949 4.640 -0.000 0.000 0.243 138 D C 0.249 176.511 176.300 -0.063 0.000 1.304 138 D CA -0.688 53.277 54.000 -0.057 0.000 0.934 138 D CB 2.236 43.011 40.800 -0.041 0.000 1.382 138 D HN 0.097 nan 8.370 nan 0.000 0.571 139 V N 1.410 121.320 119.914 -0.006 0.000 3.319 139 V HA 0.300 4.420 4.120 -0.000 0.000 0.317 139 V C 0.772 176.939 176.094 0.121 0.000 1.411 139 V CA -0.030 62.284 62.300 0.023 0.000 1.112 139 V CB -0.488 31.382 31.823 0.078 0.000 1.031 139 V HN 0.452 nan 8.190 nan 0.000 0.448 140 S N -0.695 115.070 115.700 0.108 0.000 2.584 140 S HA 0.245 4.715 4.470 -0.000 0.000 0.270 140 S C 0.868 175.545 174.600 0.129 0.000 1.346 140 S CA 0.253 58.539 58.200 0.142 0.000 1.018 140 S CB 0.613 63.862 63.200 0.082 0.000 0.899 140 S HN 0.473 nan 8.310 nan 0.000 0.542 141 Y N 2.771 123.097 120.300 0.043 0.000 2.062 141 Y HA -0.322 4.228 4.550 -0.000 0.000 0.276 141 Y C 2.103 178.012 175.900 0.015 0.000 1.189 141 Y CA 2.729 60.843 58.100 0.023 0.000 1.130 141 Y CB -0.532 37.932 38.460 0.006 0.000 0.959 141 Y HN 0.724 nan 8.280 nan 0.000 0.499 142 N N -0.235 118.551 118.700 0.143 0.000 2.216 142 N HA -0.084 4.656 4.740 -0.000 0.000 0.183 142 N C 2.028 177.523 175.510 -0.024 0.000 1.017 142 N CA 1.302 54.380 53.050 0.047 0.000 0.861 142 N CB -0.999 37.551 38.487 0.105 0.000 0.986 142 N HN 0.548 nan 8.380 nan 0.000 0.428 143 G N 1.694 110.490 108.800 -0.006 0.000 2.422 143 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.218 143 G HA3 -0.130 3.830 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 0.152 45.238 45.100 -0.022 0.000 0.775 143 G HN 0.198 nan 8.290 nan 0.000 0.545 144 L N 0.149 121.326 121.223 -0.077 0.000 2.064 144 L HA -0.198 4.142 4.340 -0.000 0.000 0.216 144 L C 2.936 179.757 176.870 -0.081 0.000 1.077 144 L CA 1.171 55.952 54.840 -0.098 0.000 0.766 144 L CB -0.444 41.533 42.059 -0.137 0.000 0.890 144 L HN 0.213 nan 8.230 nan 0.000 0.435 145 M N -0.600 118.947 119.600 -0.089 0.000 2.530 145 M HA -0.115 4.365 4.480 -0.000 0.000 0.261 145 M C 1.718 177.995 176.300 -0.039 0.000 1.067 145 M CA 1.287 56.544 55.300 -0.071 0.000 1.071 145 M CB -0.965 31.590 32.600 -0.074 0.000 1.405 145 M HN 0.298 nan 8.290 nan 0.000 0.478 146 S N -1.143 114.540 115.700 -0.028 0.000 2.593 146 S HA 0.418 4.888 4.470 -0.000 0.000 0.236 146 S C 1.635 176.245 174.600 0.018 0.000 0.991 146 S CA 0.178 58.373 58.200 -0.007 0.000 0.963 146 S CB 0.027 63.222 63.200 -0.007 0.000 0.865 146 S HN 0.394 nan 8.310 nan 0.000 0.488 147 A N 1.914 124.748 122.820 0.023 0.000 2.067 147 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 147 A C 1.209 178.913 177.584 0.199 0.000 1.158 147 A CA 1.000 53.098 52.037 0.102 0.000 0.661 147 A CB -0.421 18.612 19.000 0.054 0.000 0.801 147 A HN 0.509 nan 8.150 nan 0.000 0.452 148 T N -3.704 110.909 114.554 0.099 0.000 2.906 148 T HA 0.627 4.977 4.350 -0.000 0.000 0.295 148 T C 0.666 175.376 174.700 0.015 0.000 1.075 148 T CA -0.136 61.997 62.100 0.055 0.000 1.005 148 T CB 1.876 70.757 68.868 0.021 0.000 1.136 148 T HN 0.301 nan 8.240 nan 0.000 0.498 149 A N 0.765 123.584 122.820 -0.001 0.000 2.132 149 A HA 0.210 4.530 4.320 -0.000 0.000 0.213 149 A C 0.718 178.283 177.584 -0.031 0.000 1.154 149 A CA -0.050 51.978 52.037 -0.015 0.000 0.753 149 A CB -0.730 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 0.463 119.139 118.700 -0.039 0.000 2.431 150 N HA 0.166 4.906 4.740 -0.000 0.000 0.265 150 N C 0.661 176.128 175.510 -0.073 0.000 1.184 150 N CA -0.394 52.621 53.050 -0.058 0.000 0.943 150 N CB 0.883 39.330 38.487 -0.067 0.000 1.080 150 N HN 0.254 nan 8.380 nan 0.000 0.477 151 I N 2.824 123.346 120.570 -0.079 0.000 2.454 151 I HA -0.207 3.963 4.170 -0.000 0.000 0.254 151 I C 1.062 177.097 176.117 -0.136 0.000 1.156 151 I CA 1.369 62.613 61.300 -0.093 0.000 1.433 151 I CB -0.089 37.860 38.000 -0.084 0.000 1.082 151 I HN 0.546 nan 8.210 nan 0.000 0.432 152 N N 0.459 119.063 118.700 -0.161 0.000 2.314 152 N HA 0.011 4.751 4.740 -0.000 0.000 0.200 152 N C 0.195 175.566 175.510 -0.232 0.000 1.135 152 N CA 0.380 53.285 53.050 -0.241 0.000 0.835 152 N CB 0.046 38.376 38.487 -0.261 0.000 0.989 152 N HN 0.411 nan 8.380 nan 0.000 0.478 153 D N 0.331 120.637 120.400 -0.156 0.000 2.479 153 D HA 0.077 4.717 4.640 -0.000 0.000 0.218 153 D C 0.086 176.333 176.300 -0.089 0.000 1.177 153 D CA 0.210 54.140 54.000 -0.117 0.000 0.830 153 D CB 0.873 41.627 40.800 -0.077 0.000 1.014 153 D HN 0.394 nan 8.370 nan 0.000 0.503 154 K N -0.063 120.273 120.400 -0.107 0.000 2.502 154 K HA 0.659 4.979 4.320 -0.000 0.000 0.257 154 K C -1.426 175.115 176.600 -0.098 0.000 0.938 154 K CA -0.893 55.344 56.287 -0.084 0.000 0.819 154 K CB 2.660 35.120 32.500 -0.066 0.000 1.333 154 K HN -0.179 nan 8.250 nan 0.000 0.434 155 I N 0.691 121.215 120.570 -0.077 0.000 2.656 155 I HA 0.531 4.701 4.170 -0.000 0.000 0.292 155 I C -1.208 174.880 176.117 -0.049 0.000 1.144 155 I CA -0.096 61.167 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 4.215 112.996 108.800 -0.032 0.000 2.530 156 G HA2 0.421 4.381 3.960 -0.000 0.000 0.316 156 G HA3 0.421 4.381 3.960 -0.000 0.000 0.316 156 G C -0.517 174.399 174.900 0.027 0.000 1.298 156 G CA -0.464 44.619 45.100 -0.028 0.000 0.948 156 G HN 0.676 nan 8.290 nan 0.000 0.486 157 N N -0.206 118.536 118.700 0.070 0.000 2.738 157 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 157 N C 0.320 175.896 175.510 0.110 0.000 1.047 157 N CA 0.664 53.798 53.050 0.140 0.000 0.707 157 N CB -1.057 37.506 38.487 0.127 0.000 0.937 157 N HN 0.416 nan 8.380 nan 0.000 0.545 158 V N 1.136 121.114 119.914 0.106 0.000 2.614 158 V HA 0.108 4.228 4.120 -0.000 0.000 0.291 158 V C 1.455 177.614 176.094 0.108 0.000 1.049 158 V CA -0.516 61.842 62.300 0.097 0.000 1.038 158 V CB 1.004 32.884 31.823 0.095 0.000 0.980 158 V HN 0.173 nan 8.190 nan 0.000 0.481 159 L N 4.738 126.013 121.223 0.087 0.000 2.490 159 L HA 0.059 4.399 4.340 -0.000 0.000 0.274 159 L C 1.458 178.374 176.870 0.077 0.000 1.201 159 L CA -0.039 54.848 54.840 0.077 0.000 0.869 159 L CB 0.598 42.692 42.059 0.059 0.000 1.123 159 L HN 0.499 nan 8.230 nan 0.000 0.484 160 V N 3.403 123.361 119.914 0.074 0.000 2.490 160 V HA -0.192 3.928 4.120 -0.000 0.000 0.250 160 V C 2.264 178.380 176.094 0.035 0.000 1.061 160 V CA 2.156 64.492 62.300 0.059 0.000 1.064 160 V CB -0.710 31.141 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 -0.281 3.679 3.960 -0.000 0.000 0.218 161 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 161 G C 1.554 176.473 174.900 0.032 0.000 1.146 161 G CA 0.965 46.080 45.100 0.025 0.000 0.769 161 G HN 0.574 nan 8.290 nan 0.000 0.547 162 E N 0.113 120.339 120.200 0.043 0.000 2.051 162 E HA 0.270 4.620 4.350 -0.000 0.000 0.189 162 E C 1.344 177.978 176.600 0.057 0.000 0.979 162 E CA 0.793 57.224 56.400 0.051 0.000 0.803 162 E CB -0.115 29.620 29.700 0.060 0.000 0.761 162 E HN 0.472 nan 8.360 nan 0.000 0.451 163 G N -0.082 108.755 108.800 0.063 0.000 2.710 163 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.668 163 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.668 163 G C -0.955 173.994 174.900 0.081 0.000 1.320 163 G CA -0.312 44.827 45.100 0.065 0.000 0.860 163 G HN 0.287 nan 8.290 nan 0.000 0.538 164 V N 0.218 120.180 119.914 0.080 0.000 2.769 164 V HA 0.826 4.946 4.120 -0.000 0.000 0.312 164 V C 0.340 176.462 176.094 0.046 0.000 1.061 164 V CA -0.102 62.252 62.300 0.090 0.000 0.931 164 V CB 2.363 34.249 31.823 0.105 0.000 1.010 164 V HN 1.166 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 0.526 4.876 4.350 -0.000 0.000 0.280 165 T C -0.587 174.080 174.700 -0.056 0.000 0.990 165 T CA -0.309 61.720 62.100 -0.118 0.000 0.960 165 T CB 1.464 70.087 68.868 -0.408 0.000 0.939 165 T HN 0.340 nan 8.240 nan 0.000 0.439 166 V N 4.726 124.548 119.914 -0.153 0.000 2.383 166 V HA 0.487 4.607 4.120 -0.000 0.000 0.275 166 V C -0.369 175.619 176.094 -0.177 0.000 1.036 166 V CA -0.748 61.472 62.300 -0.134 0.000 0.889 166 V CB 1.237 32.898 31.823 -0.270 0.000 0.985 166 V HN 0.649 nan 8.190 nan 0.000 0.459 167 L N 4.907 126.100 121.223 -0.050 0.000 2.333 167 L HA 0.591 4.931 4.340 -0.000 0.000 0.280 167 L C 0.222 177.083 176.870 -0.015 0.000 1.004 167 L CA 0.239 55.051 54.840 -0.046 0.000 0.820 167 L CB 2.045 44.162 42.059 0.098 0.000 1.247 167 L HN 0.632 nan 8.230 nan 0.000 0.416 168 S N 5.979 121.656 115.700 -0.039 0.000 2.448 168 S HA 0.539 5.009 4.470 -0.000 0.000 0.279 168 S C -0.411 174.190 174.600 0.000 0.000 1.195 168 S CA -0.521 57.669 58.200 -0.017 0.000 1.051 168 S CB -0.296 62.892 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 0.570 4.910 4.340 -0.000 0.000 0.275 169 L C -1.755 175.089 176.870 -0.044 0.000 1.022 169 L CA -2.359 52.477 54.840 -0.008 0.000 0.812 169 L CB 1.501 43.550 42.059 -0.016 0.000 1.257 169 L HN 0.526 nan 8.230 nan 0.000 0.435 170 P HA 0.088 nan 4.420 nan 0.000 0.271 170 P C -0.581 176.575 177.300 -0.241 0.000 1.218 170 P CA -0.209 62.751 63.100 -0.234 0.000 0.780 170 P CB 0.682 32.046 31.700 -0.560 0.000 0.901 171 T N -2.115 112.288 114.554 -0.252 0.000 3.331 171 T HA 0.492 4.842 4.350 -0.000 0.000 0.381 171 T C -0.265 174.269 174.700 -0.276 0.000 1.656 171 T CA -0.680 61.289 62.100 -0.217 0.000 1.453 171 T CB -0.784 67.996 68.868 -0.146 0.000 1.066 171 T HN 0.627 nan 8.240 nan 0.000 0.655 172 S N 1.330 116.825 115.700 -0.341 0.000 2.912 172 S HA -0.103 4.367 4.470 -0.000 0.000 0.857 172 S C -0.778 173.565 174.600 -0.427 0.000 0.919 172 S CA -0.678 57.336 58.200 -0.310 0.000 1.424 172 S CB -1.031 62.037 63.200 -0.220 0.000 1.019 172 S HN 0.719 nan 8.310 nan 0.000 0.231 173 Y N 2.094 122.361 120.300 -0.055 0.000 2.645 173 Y HA 0.462 5.012 4.550 -0.000 0.000 0.341 173 Y C 1.327 177.189 175.900 -0.064 0.000 1.234 173 Y CA -0.251 57.813 58.100 -0.060 0.000 1.352 173 Y CB 0.428 38.854 38.460 -0.057 0.000 1.556 173 Y HN 0.772 nan 8.280 nan 0.000 0.607 174 D N 0.748 121.242 120.400 0.156 0.000 2.737 174 D HA -0.186 4.454 4.640 -0.000 0.000 0.233 174 D C -1.057 175.270 176.300 0.044 0.000 1.155 174 D CA 0.759 54.801 54.000 0.070 0.000 0.667 174 D CB -1.110 39.721 40.800 0.051 0.000 1.060 174 D HN 0.267 nan 8.370 nan 0.000 0.427 175 L N -0.112 121.133 121.223 0.036 0.000 2.417 175 L HA 0.402 4.742 4.340 -0.000 0.000 0.268 175 L C 1.828 178.776 176.870 0.131 0.000 1.158 175 L CA -0.132 54.718 54.840 0.017 0.000 0.819 175 L CB 0.842 42.854 42.059 -0.078 0.000 1.112 175 L HN 0.033 nan 8.230 nan 0.000 0.458 176 G N 0.584 109.529 108.800 0.242 0.000 2.606 176 G HA2 0.172 4.132 3.960 -0.000 0.000 0.252 176 G HA3 0.172 4.132 3.960 -0.000 0.000 0.252 176 G C -0.874 174.184 174.900 0.263 0.000 1.206 176 G CA -0.337 44.922 45.100 0.267 0.000 0.861 176 G HN 0.342 nan 8.290 nan 0.000 0.561 177 Y N -0.494 119.871 120.300 0.109 0.000 2.511 177 Y HA 0.234 4.784 4.550 -0.000 0.000 0.332 177 Y C 0.889 176.847 175.900 0.097 0.000 1.177 177 Y CA 0.214 58.376 58.100 0.103 0.000 1.422 177 Y CB 1.048 39.546 38.460 0.063 0.000 1.271 177 Y HN 0.149 nan 8.280 nan 0.000 0.550 178 V N 5.356 125.310 119.914 0.067 0.000 2.427 178 V HA 0.314 4.434 4.120 -0.000 0.000 0.286 178 V C 0.136 176.233 176.094 0.005 0.000 1.034 178 V CA -1.204 61.008 62.300 -0.147 0.000 0.893 178 V CB 1.370 32.871 31.823 -0.536 0.000 0.982 178 V HN 0.635 nan 8.190 nan 0.000 0.452 179 R N 3.854 124.316 120.500 -0.063 0.000 2.401 179 R HA 0.362 4.702 4.340 -0.000 0.000 0.299 179 R C -0.428 175.740 176.300 -0.221 0.000 1.064 179 R CA -0.315 55.599 56.100 -0.311 0.000 1.000 179 R CB 0.291 30.372 30.300 -0.364 0.000 0.973 179 R HN 0.623 nan 8.270 nan 0.000 0.438 180 L N 2.141 123.236 121.223 -0.212 0.000 2.479 180 L HA 0.237 4.577 4.340 -0.000 0.000 0.248 180 L C 1.490 178.304 176.870 -0.095 0.000 1.205 180 L CA -0.099 54.673 54.840 -0.113 0.000 0.817 180 L CB 0.552 42.570 42.059 -0.068 0.000 1.162 180 L HN 0.802 nan 8.230 nan 0.000 0.486 181 G N 0.224 109.004 108.800 -0.033 0.000 3.455 181 G HA2 0.042 4.002 3.960 -0.000 0.000 0.250 181 G HA3 0.042 4.002 3.960 -0.000 0.000 0.250 181 G C -0.063 174.815 174.900 -0.036 0.000 1.071 181 G CA -0.407 44.677 45.100 -0.027 0.000 1.812 181 G HN 0.708 nan 8.290 nan 0.000 0.643 182 D N 1.133 121.493 120.400 -0.067 0.000 2.382 182 D HA 0.138 4.778 4.640 -0.000 0.000 0.245 182 D C -2.475 173.796 176.300 -0.049 0.000 1.120 182 D CA -1.557 52.408 54.000 -0.058 0.000 0.890 182 D CB 1.891 42.641 40.800 -0.083 0.000 1.201 182 D HN 0.071 nan 8.370 nan 0.000 0.433 183 P HA 0.155 nan 4.420 nan 0.000 0.268 183 P C -0.448 176.832 177.300 -0.033 0.000 1.205 183 P CA -0.414 62.669 63.100 -0.029 0.000 0.771 183 P CB 0.836 32.523 31.700 -0.022 0.000 0.858 184 I N 5.003 125.555 120.570 -0.029 0.000 2.562 184 I HA 0.407 4.577 4.170 -0.000 0.000 0.301 184 I C -2.235 173.870 176.117 -0.020 0.000 1.003 184 I CA -3.102 58.182 61.300 -0.027 0.000 1.127 184 I CB 1.251 39.234 38.000 -0.029 0.000 1.304 184 I HN 0.209 nan 8.210 nan 0.000 0.446 185 P HA 0.438 nan 4.420 nan 0.000 0.267 185 P C -1.550 175.743 177.300 -0.011 0.000 1.209 185 P CA -0.155 62.936 63.100 -0.014 0.000 0.763 185 P CB 0.480 32.173 31.700 -0.012 0.000 0.816 186 A N 3.448 126.262 122.820 -0.010 0.000 2.566 186 A HA 0.692 5.012 4.320 -0.000 0.000 0.297 186 A C -0.801 176.779 177.584 -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 -0.548 120.019 120.570 -0.006 0.000 2.646 187 I HA 1.008 5.178 4.170 -0.000 0.000 0.299 187 I C 0.116 176.230 176.117 -0.004 0.000 1.036 187 I CA -0.870 60.427 61.300 -0.005 0.000 1.074 187 I CB 2.442 40.439 38.000 -0.004 0.000 1.258 187 I HN 0.980 nan 8.210 nan 0.000 0.430 188 G N 3.797 112.595 108.800 -0.003 0.000 2.673 188 G HA2 0.414 4.374 3.960 -0.000 0.000 0.292 188 G HA3 0.414 4.374 3.960 -0.000 0.000 0.292 188 G C -0.206 174.693 174.900 -0.002 0.000 1.450 188 G CA -0.879 44.219 45.100 -0.003 0.000 0.837 188 G HN 0.726 nan 8.290 nan 0.000 0.505 189 L N -0.351 120.870 121.223 -0.002 0.000 2.201 189 L HA 0.055 4.395 4.340 -0.000 0.000 0.212 189 L C 0.827 177.696 176.870 -0.002 0.000 1.105 189 L CA 0.701 55.540 54.840 -0.002 0.000 0.775 189 L CB 0.082 42.140 42.059 -0.002 0.000 0.913 189 L HN 0.381 nan 8.230 nan 0.000 0.440 190 D N -0.299 120.100 120.400 -0.002 0.000 2.295 190 D HA 0.116 4.756 4.640 -0.000 0.000 0.248 190 D C -1.530 174.770 176.300 -0.000 0.000 1.154 190 D CA -2.012 51.987 54.000 -0.001 0.000 0.857 190 D CB 1.756 42.556 40.800 -0.001 0.000 1.117 190 D HN -0.170 nan 8.370 nan 0.000 0.468 191 P HA -0.146 nan 4.420 nan 0.000 0.216 191 P C 0.481 177.783 177.300 0.002 0.000 1.154 191 P CA 1.349 64.450 63.100 0.001 0.000 0.865 191 P CB 0.263 31.965 31.700 0.002 0.000 0.789 192 K N -1.408 118.994 120.400 0.002 0.000 2.504 192 K HA 0.126 4.446 4.320 -0.000 0.000 0.199 192 K C 0.757 177.359 176.600 0.003 0.000 1.028 192 K CA -0.245 56.044 56.287 0.003 0.000 1.164 192 K CB -0.297 32.205 32.500 0.004 0.000 0.877 192 K HN 0.195 nan 8.250 nan 0.000 0.508 193 M N 1.954 121.554 119.600 0.001 0.000 2.219 193 M HA 0.085 4.565 4.480 -0.000 0.000 0.353 193 M C -1.064 175.236 176.300 -0.001 0.000 1.304 193 M CA 0.340 55.640 55.300 -0.000 0.000 1.115 193 M CB 0.696 33.295 32.600 -0.002 0.000 1.664 193 M HN -0.207 nan 8.290 nan 0.000 0.459 194 V N 4.653 124.567 119.914 -0.001 0.000 2.623 194 V HA 0.728 4.848 4.120 -0.000 0.000 0.304 194 V C -0.692 175.399 176.094 -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 3.428 126.243 122.820 -0.009 0.000 2.357 195 A HA 0.912 5.232 4.320 -0.000 0.000 0.295 195 A C -0.123 177.449 177.584 -0.020 0.000 1.121 195 A CA -0.279 51.749 52.037 -0.014 0.000 0.742 195 A CB 1.501 20.493 19.000 -0.014 0.000 1.181 195 A HN 0.946 nan 8.150 nan 0.000 0.454 196 T N -1.921 112.618 114.554 -0.025 0.000 2.907 196 T HA 0.610 4.960 4.350 -0.000 0.000 0.290 196 T C -0.638 174.032 174.700 -0.050 0.000 1.066 196 T CA -0.795 61.284 62.100 -0.035 0.000 1.012 196 T CB 1.464 70.316 68.868 -0.027 0.000 1.184 196 T HN 1.051 nan 8.240 nan 0.000 0.522 197 C N 2.296 121.556 119.300 -0.067 0.000 2.293 197 C HA 0.645 5.105 4.460 -0.000 0.000 0.323 197 C C -0.858 174.072 174.990 -0.100 0.000 1.240 197 C CA -0.479 58.487 59.018 -0.085 0.000 1.497 197 C CB -1.038 26.645 27.740 -0.096 0.000 2.171 197 C HN 0.882 nan 8.230 nan 0.000 0.465 198 D N 2.927 123.269 120.400 -0.097 0.000 2.277 198 D HA 0.308 4.948 4.640 -0.000 0.000 0.250 198 D C -0.052 176.200 176.300 -0.080 0.000 1.032 198 D CA 0.004 53.956 54.000 -0.080 0.000 0.947 198 D CB 1.567 42.325 40.800 -0.070 0.000 1.159 198 D HN 0.552 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 1.063 175.659 174.600 -0.006 0.000 1.244 199 S CA -0.113 58.043 58.200 -0.073 0.000 1.098 199 S CB 0.141 63.277 63.200 -0.105 0.000 0.858 199 S HN 0.524 nan 8.310 nan 0.000 0.502 200 S N 1.250 116.949 115.700 -0.001 0.000 3.019 200 S HA 0.120 4.590 4.470 -0.000 0.000 0.258 200 S C -0.367 174.278 174.600 0.075 0.000 1.082 200 S CA -0.533 57.696 58.200 0.049 0.000 0.836 200 S CB -0.451 62.746 63.200 -0.005 0.000 0.834 200 S HN 0.571 nan 8.310 nan 0.000 0.457 201 D N 3.449 123.886 120.400 0.061 0.000 2.571 201 D HA 0.240 4.880 4.640 -0.000 0.000 0.231 201 D C 0.113 176.485 176.300 0.119 0.000 1.133 201 D CA 0.629 54.685 54.000 0.092 0.000 0.862 201 D CB -0.057 40.812 40.800 0.115 0.000 1.179 201 D HN 0.178 nan 8.370 nan 0.000 0.474 202 R N -0.429 120.134 120.500 0.105 0.000 3.125 202 R HA -0.101 4.239 4.340 -0.000 0.000 0.258 202 R C -2.484 173.860 176.300 0.075 0.000 0.968 202 R CA -0.035 56.121 56.100 0.094 0.000 0.656 202 R CB -1.841 28.546 30.300 0.145 0.000 1.251 202 R HN 0.452 nan 8.270 nan 0.000 0.428 203 P HA 0.086 nan 4.420 nan 0.000 0.272 203 P C -0.277 177.009 177.300 -0.022 0.000 1.230 203 P CA -0.123 62.998 63.100 0.036 0.000 0.788 203 P CB 0.739 32.468 31.700 0.049 0.000 0.949 204 R N 1.172 121.634 120.500 -0.064 0.000 2.407 204 R HA 0.523 4.863 4.340 -0.000 0.000 0.303 204 R C -1.368 174.806 176.300 -0.209 0.000 0.981 204 R CA -0.734 55.269 56.100 -0.160 0.000 0.905 204 R CB 0.896 31.083 30.300 -0.188 0.000 1.099 204 R HN 0.260 nan 8.270 nan 0.000 0.459 205 V N 5.432 125.186 119.914 -0.266 0.000 2.487 205 V HA 0.367 4.487 4.120 -0.000 0.000 0.298 205 V C -1.216 174.703 176.094 -0.292 0.000 1.028 205 V CA -0.704 61.477 62.300 -0.199 0.000 0.860 205 V CB 1.489 33.252 31.823 -0.099 0.000 0.991 205 V HN 0.690 nan 8.190 nan 0.000 0.427 206 Y N 1.798 122.077 120.300 -0.034 0.000 2.360 206 Y HA 0.602 5.152 4.550 -0.000 0.000 0.337 206 Y C 0.747 176.609 175.900 -0.064 0.000 1.039 206 Y CA -0.525 57.551 58.100 -0.040 0.000 1.109 206 Y CB 2.057 40.500 38.460 -0.029 0.000 1.201 206 Y HN 0.497 nan 8.280 nan 0.000 0.458 207 T N 5.167 119.766 114.554 0.076 0.000 2.786 207 T HA 0.578 4.928 4.350 -0.000 0.000 0.283 207 T C -0.575 174.080 174.700 -0.076 0.000 0.992 207 T CA -0.519 61.570 62.100 -0.019 0.000 0.954 207 T CB 0.319 69.166 68.868 -0.035 0.000 0.934 207 T HN 0.378 nan 8.240 nan 0.000 0.440 208 I N 2.883 123.347 120.570 -0.177 0.000 2.411 208 I HA 0.247 4.417 4.170 -0.000 0.000 0.284 208 I C 0.248 176.154 176.117 -0.351 0.000 1.012 208 I CA -0.638 60.464 61.300 -0.330 0.000 1.119 208 I CB 1.717 39.361 38.000 -0.593 0.000 1.261 208 I HN 0.476 nan 8.210 nan 0.000 0.448 209 T N 5.780 120.177 114.554 -0.262 0.000 2.863 209 T HA 0.210 4.560 4.350 -0.000 0.000 0.299 209 T C 1.201 175.748 174.700 -0.254 0.000 0.973 209 T CA -0.238 61.736 62.100 -0.211 0.000 0.994 209 T CB 1.086 69.880 68.868 -0.123 0.000 0.961 209 T HN 0.753 nan 8.240 nan 0.000 0.552 210 A N 2.923 125.558 122.820 -0.307 0.000 2.014 210 A HA 0.567 4.887 4.320 -0.000 0.000 0.218 210 A C 1.209 178.758 177.584 -0.059 0.000 1.163 210 A CA 0.575 52.460 52.037 -0.254 0.000 0.652 210 A CB 0.112 19.033 19.000 -0.131 0.000 0.808 210 A HN 0.892 nan 8.150 nan 0.000 0.449 211 A N -0.848 121.947 122.820 -0.043 0.000 2.540 211 A HA 0.542 4.862 4.320 -0.000 0.000 0.297 211 A C -2.006 175.596 177.584 0.029 0.000 1.056 211 A CA -0.353 51.711 52.037 0.044 0.000 0.700 211 A CB 1.037 20.106 19.000 0.116 0.000 1.280 211 A HN 0.025 nan 8.150 nan 0.000 0.398 212 D N 2.171 122.614 120.400 0.073 0.000 2.375 212 D HA 0.430 5.070 4.640 -0.000 0.000 0.259 212 D C -0.781 175.570 176.300 0.086 0.000 1.235 212 D CA 0.254 54.284 54.000 0.051 0.000 0.924 212 D CB 0.464 41.281 40.800 0.028 0.000 1.143 212 D HN 0.472 nan 8.370 nan 0.000 0.529 213 D N 2.075 122.525 120.400 0.083 0.000 2.686 213 D HA -0.297 4.343 4.640 -0.000 0.000 0.235 213 D C -0.495 175.887 176.300 0.136 0.000 1.160 213 D CA 0.578 54.634 54.000 0.093 0.000 0.645 213 D CB -1.797 39.036 40.800 0.054 0.000 1.039 213 D HN 0.453 nan 8.370 nan 0.000 0.423 214 Y N 1.313 121.671 120.300 0.098 0.000 2.537 214 Y HA 0.138 4.688 4.550 -0.000 0.000 0.339 214 Y C 0.502 176.492 175.900 0.149 0.000 1.066 214 Y CA -0.097 58.078 58.100 0.125 0.000 1.357 214 Y CB 0.516 39.078 38.460 0.169 0.000 1.175 214 Y HN -0.018 nan 8.280 nan 0.000 0.525 215 Q N 7.379 126.787 119.800 -0.654 0.000 2.288 215 Q HA 0.160 4.500 4.340 -0.000 0.000 0.258 215 Q C -1.200 174.196 176.000 -1.007 0.000 0.957 215 Q CA -0.262 55.192 55.803 -0.581 0.000 0.919 215 Q CB 1.482 30.012 28.738 -0.347 0.000 1.185 215 Q HN 0.752 nan 8.270 nan 0.000 0.408 216 F N 1.198 120.605 119.950 -0.906 0.000 2.469 216 F HA 0.512 5.039 4.527 -0.000 0.000 0.332 216 F C -0.594 174.844 175.800 -0.605 0.000 1.103 216 F CA -0.518 56.929 58.000 -0.922 0.000 0.979 216 F CB 1.787 39.745 39.000 -1.737 0.000 1.137 216 F HN 0.373 nan 8.300 nan 0.000 0.463 217 S N 4.049 118.988 115.700 -1.267 0.000 2.603 217 S HA 0.671 5.141 4.470 -0.000 0.000 0.274 217 S C -1.463 172.592 174.600 -0.908 0.000 1.168 217 S CA -0.388 57.293 58.200 -0.866 0.000 0.963 217 S CB 1.232 64.163 63.200 -0.449 0.000 1.078 217 S HN 0.950 nan 8.310 nan 0.000 0.477 218 S N 2.791 118.107 115.700 -0.640 0.000 2.565 218 S HA 0.402 4.872 4.470 -0.000 0.000 0.274 218 S C -1.821 172.706 174.600 -0.122 0.000 1.144 218 S CA -0.617 57.361 58.200 -0.369 0.000 0.849 218 S CB 1.437 64.406 63.200 -0.384 0.000 1.103 218 S HN 0.747 nan 8.310 nan 0.000 0.455 219 Q N 1.586 121.355 119.800 -0.052 0.000 2.354 219 Q HA 0.204 4.544 4.340 -0.000 0.000 0.244 219 Q C -0.727 175.331 176.000 0.097 0.000 0.969 219 Q CA -0.207 55.613 55.803 0.028 0.000 0.885 219 Q CB 0.502 29.249 28.738 0.016 0.000 1.241 219 Q HN 0.721 nan 8.270 nan 0.000 0.461 220 Y N 1.806 122.123 120.300 0.029 0.000 2.788 220 Y HA -0.076 4.474 4.550 -0.000 0.000 0.341 220 Y C -0.488 175.439 175.900 0.045 0.000 1.258 220 Y CA 0.633 58.763 58.100 0.049 0.000 1.503 220 Y CB 0.467 38.952 38.460 0.041 0.000 1.325 220 Y HN 0.480 nan 8.280 nan 0.000 0.614 221 Q N 6.935 126.232 119.800 -0.838 0.000 2.268 221 Q HA 0.420 4.760 4.340 -0.000 0.000 0.266 221 Q C -2.965 172.463 176.000 -0.953 0.000 1.006 221 Q CA -2.549 52.782 55.803 -0.787 0.000 0.824 221 Q CB 2.053 30.628 28.738 -0.272 0.000 1.306 221 Q HN 0.415 nan 8.270 nan 0.000 0.424 222 P HA 0.150 nan 4.420 nan 0.000 0.263 222 P C 0.514 177.732 177.300 -0.137 0.000 1.195 222 P CA 1.339 64.282 63.100 -0.262 0.000 0.762 222 P CB 0.752 32.385 31.700 -0.111 0.000 0.799 223 G N 2.163 110.936 108.800 -0.045 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 0.464 175.359 174.900 -0.008 0.000 1.010 223 G CA 0.233 45.322 45.100 -0.018 0.000 0.618 223 G HN 1.067 nan 8.290 nan 0.000 0.516 224 G N -2.281 106.499 108.800 -0.033 0.000 2.631 224 G HA2 0.320 4.280 3.960 -0.000 0.000 0.504 224 G HA3 0.320 4.280 3.960 -0.000 0.000 0.504 224 G C -0.589 174.330 174.900 0.032 0.000 1.306 224 G CA 0.084 45.198 45.100 0.022 0.000 0.897 224 G HN 1.549 nan 8.290 nan 0.000 0.520 225 V N 0.840 120.816 119.914 0.103 0.000 2.407 225 V HA 0.650 4.770 4.120 -0.000 0.000 0.291 225 V C 0.418 176.601 176.094 0.150 0.000 1.018 225 V CA -0.223 62.164 62.300 0.146 0.000 0.842 225 V CB 1.581 33.558 31.823 0.258 0.000 0.996 225 V HN 1.001 nan 8.190 nan 0.000 0.426 226 T N 6.870 121.491 114.554 0.113 0.000 2.799 226 T HA 0.728 5.078 4.350 -0.000 0.000 0.286 226 T C -0.183 174.593 174.700 0.127 0.000 0.973 226 T CA -0.084 62.075 62.100 0.098 0.000 1.035 226 T CB 0.886 69.793 68.868 0.064 0.000 0.932 226 T HN 0.650 nan 8.240 nan 0.000 0.469 227 I N -0.695 119.957 120.570 0.136 0.000 2.785 227 I HA 0.664 4.834 4.170 -0.000 0.000 0.302 227 I C -0.453 175.725 176.117 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 0.301 nan 8.210 nan 0.000 0.429 228 T N 4.965 119.557 114.554 0.064 0.000 2.832 228 T HA 0.242 4.592 4.350 -0.000 0.000 0.313 228 T C 0.734 175.443 174.700 0.014 0.000 1.035 228 T CA -0.271 61.835 62.100 0.011 0.000 0.950 228 T CB 1.057 69.907 68.868 -0.029 0.000 0.984 228 T HN 0.594 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 0.237 4.577 4.340 -0.000 0.000 0.208 229 L C 0.216 177.157 176.870 0.119 0.000 1.077 229 L CA 1.763 56.646 54.840 0.072 0.000 0.747 229 L CB -0.280 41.893 42.059 0.190 0.000 0.896 229 L HN 0.711 nan 8.230 nan 0.000 0.432 230 F N -3.292 116.653 119.950 -0.008 0.000 2.713 230 F HA 0.650 5.177 4.527 -0.000 0.000 0.311 230 F C -0.723 175.071 175.800 -0.011 0.000 1.141 230 F CA -0.906 57.077 58.000 -0.028 0.000 0.939 230 F CB 0.737 39.711 39.000 -0.044 0.000 1.325 230 F HN -0.304 nan 8.300 nan 0.000 0.453 231 S N 1.170 116.990 115.700 0.200 0.000 2.575 231 S HA 0.895 5.365 4.470 -0.000 0.000 0.278 231 S C -1.522 173.201 174.600 0.205 0.000 1.139 231 S CA 0.089 58.346 58.200 0.095 0.000 0.954 231 S CB 1.266 64.466 63.200 0.001 0.000 1.054 231 S HN 1.681 nan 8.310 nan 0.000 0.483 232 A N 3.860 126.783 122.820 0.172 0.000 2.488 232 A HA 0.705 5.025 4.320 -0.000 0.000 0.298 232 A C -1.191 176.379 177.584 -0.023 0.000 1.044 232 A CA -0.887 51.197 52.037 0.079 0.000 0.693 232 A CB 1.064 20.110 19.000 0.077 0.000 1.272 232 A HN 0.715 nan 8.150 nan 0.000 0.402 233 N N 1.472 120.141 118.700 -0.052 0.000 2.442 233 N HA 0.524 5.264 4.740 -0.000 0.000 0.265 233 N C -0.216 175.162 175.510 -0.220 0.000 1.138 233 N CA 0.278 53.281 53.050 -0.077 0.000 0.956 233 N CB 0.502 38.978 38.487 -0.018 0.000 1.067 233 N HN 0.743 nan 8.380 nan 0.000 0.474 234 I N -2.152 118.264 120.570 -0.257 0.000 3.174 234 I HA 0.615 4.785 4.170 -0.000 0.000 0.313 234 I C -1.047 175.018 176.117 -0.087 0.000 1.155 234 I CA -0.966 60.038 61.300 -0.494 0.000 0.977 234 I CB 2.665 40.203 38.000 -0.769 0.000 1.248 234 I HN 0.026 nan 8.210 nan 0.000 0.453 235 D N 2.093 122.552 120.400 0.099 0.000 2.646 235 D HA 0.720 5.359 4.640 -0.000 0.000 0.245 235 D C -1.159 175.226 176.300 0.141 0.000 1.099 235 D CA -0.224 53.864 54.000 0.146 0.000 0.849 235 D CB 2.393 43.309 40.800 0.195 0.000 1.448 235 D HN 0.902 nan 8.370 nan 0.000 0.489 236 A N 1.998 124.866 122.820 0.081 0.000 2.517 236 A HA 0.529 4.849 4.320 -0.000 0.000 0.297 236 A C -0.196 177.391 177.584 0.006 0.000 1.050 236 A CA -0.517 51.553 52.037 0.056 0.000 0.694 236 A CB 0.919 19.951 19.000 0.054 0.000 1.277 236 A HN 0.553 nan 8.150 nan 0.000 0.400 237 I N 0.522 121.080 120.570 -0.021 0.000 4.124 237 I HA 0.118 4.288 4.170 -0.000 0.000 0.311 237 I C 1.269 177.375 176.117 -0.019 0.000 1.259 237 I CA 1.069 62.317 61.300 -0.087 0.000 1.315 237 I CB 0.662 38.513 38.000 -0.248 0.000 1.223 237 I HN 0.791 nan 8.210 nan 0.000 0.441 238 T N -1.439 113.143 114.554 0.046 0.000 2.804 238 T HA 0.409 4.759 4.350 -0.000 0.000 0.272 238 T C 0.329 175.080 174.700 0.085 0.000 0.986 238 T CA -0.486 61.659 62.100 0.076 0.000 0.999 238 T CB 1.156 70.098 68.868 0.125 0.000 1.307 238 T HN 0.127 nan 8.240 nan 0.000 0.586 239 S N 0.618 116.386 115.700 0.113 0.000 2.558 239 S HA 0.367 4.837 4.470 -0.000 0.000 0.291 239 S C 0.042 174.754 174.600 0.186 0.000 1.306 239 S CA -0.421 57.874 58.200 0.158 0.000 1.056 239 S CB -0.984 62.328 63.200 0.187 0.000 0.836 239 S HN 1.187 nan 8.310 nan 0.000 0.504 240 L N -0.518 120.776 121.223 0.120 0.000 2.491 240 L HA 0.951 5.291 4.340 -0.000 0.000 0.254 240 L C -0.655 176.223 176.870 0.013 0.000 1.048 240 L CA -1.007 53.803 54.840 -0.051 0.000 0.855 240 L CB 1.858 43.903 42.059 -0.023 0.000 1.466 240 L HN 0.856 nan 8.230 nan 0.000 0.409 241 S N -0.221 115.442 115.700 -0.060 0.000 2.569 241 S HA 0.886 5.356 4.470 -0.000 0.000 0.280 241 S C -1.083 173.543 174.600 0.044 0.000 1.111 241 S CA -0.685 57.544 58.200 0.049 0.000 0.887 241 S CB 1.976 65.251 63.200 0.124 0.000 1.095 241 S HN 0.662 nan 8.310 nan 0.000 0.476 242 V N 1.501 121.468 119.914 0.089 0.000 2.487 242 V HA 0.843 4.963 4.120 -0.000 0.000 0.298 242 V C 0.695 176.873 176.094 0.140 0.000 1.028 242 V CA 0.006 62.372 62.300 0.109 0.000 0.860 242 V CB 1.199 33.120 31.823 0.163 0.000 0.991 242 V HN 1.248 nan 8.190 nan 0.000 0.427 243 G N 1.794 110.650 108.800 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 -0.146 174.789 174.900 0.058 0.000 1.308 243 G CA -0.222 44.942 45.100 0.107 0.000 0.964 243 G HN 1.488 nan 8.290 nan 0.000 0.484 244 G N -1.140 107.711 108.800 0.085 0.000 2.373 244 G HA2 0.351 4.311 3.960 -0.000 0.000 0.634 244 G HA3 0.351 4.311 3.960 -0.000 0.000 0.634 244 G C -0.985 174.002 174.900 0.144 0.000 1.267 244 G CA 0.063 45.182 45.100 0.032 0.000 1.008 244 G HN 0.937 nan 8.290 nan 0.000 0.497 245 E N -1.160 119.091 120.200 0.085 0.000 2.354 245 E HA 0.550 4.900 4.350 -0.000 0.000 0.283 245 E C -0.964 175.693 176.600 0.094 0.000 0.938 245 E CA -0.765 55.745 56.400 0.184 0.000 0.777 245 E CB 1.573 31.339 29.700 0.111 0.000 1.222 245 E HN 0.603 nan 8.360 nan 0.000 0.423 246 L N 2.957 124.289 121.223 0.182 0.000 2.325 246 L HA 0.635 4.975 4.340 -0.000 0.000 0.278 246 L C -0.667 176.147 176.870 -0.094 0.000 1.023 246 L CA -1.113 53.710 54.840 -0.029 0.000 0.811 246 L CB 1.791 43.828 42.059 -0.035 0.000 1.249 246 L HN 0.298 nan 8.230 nan 0.000 0.431 247 V N 2.592 122.348 119.914 -0.264 0.000 2.448 247 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 247 V C -0.693 175.201 176.094 -0.334 0.000 1.025 247 V CA -0.441 61.766 62.300 -0.154 0.000 0.859 247 V CB 1.623 33.410 31.823 -0.060 0.000 0.988 247 V HN 0.371 nan 8.190 nan 0.000 0.431 248 F N 4.334 124.271 119.950 -0.021 0.000 2.469 248 F HA 0.715 5.242 4.527 -0.000 0.000 0.332 248 F C 0.556 176.375 175.800 0.031 0.000 1.103 248 F CA -0.687 57.298 58.000 -0.025 0.000 0.979 248 F CB 1.692 40.578 39.000 -0.189 0.000 1.137 248 F HN 0.252 nan 8.300 nan 0.000 0.463 249 R N 1.149 121.806 120.500 0.262 0.000 2.803 249 R HA 0.758 5.098 4.340 -0.000 0.000 0.276 249 R C -0.831 175.608 176.300 0.232 0.000 0.978 249 R CA -0.806 55.407 56.100 0.188 0.000 0.939 249 R CB 2.155 32.533 30.300 0.130 0.000 1.179 249 R HN 0.693 nan 8.270 nan 0.000 0.472 250 T N -1.026 113.617 114.554 0.148 0.000 2.885 250 T HA 0.230 4.580 4.350 -0.000 0.000 0.322 250 T C 0.004 174.720 174.700 0.027 0.000 1.387 250 T CA -0.404 61.776 62.100 0.132 0.000 1.041 250 T CB 1.431 70.405 68.868 0.177 0.000 1.287 250 T HN 0.453 nan 8.240 nan 0.000 0.491 251 S N 0.945 116.650 115.700 0.008 0.000 2.511 251 S HA 0.243 4.713 4.470 -0.000 0.000 0.214 251 S C 0.407 174.924 174.600 -0.139 0.000 0.997 251 S CA -0.124 58.041 58.200 -0.059 0.000 0.908 251 S CB 0.360 63.551 63.200 -0.015 0.000 0.803 251 S HN 0.592 nan 8.310 nan 0.000 0.504 252 V N 3.794 123.660 119.914 -0.080 0.000 2.439 252 V HA 0.297 4.417 4.120 -0.000 0.000 0.282 252 V C 0.027 176.056 176.094 -0.108 0.000 1.039 252 V CA -0.828 61.440 62.300 -0.054 0.000 0.913 252 V CB 0.645 32.497 31.823 0.049 0.000 0.983 252 V HN 0.412 nan 8.190 nan 0.000 0.460 253 H N 2.825 121.920 119.070 0.042 0.000 2.562 253 H HA 0.347 4.903 4.556 -0.000 0.000 0.352 253 H C 1.263 176.606 175.328 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 31.162 29.762 0.016 0.000 1.464 253 H HN 1.015 nan 8.280 nan 0.000 0.563 254 G N 2.655 111.540 108.800 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 0.075 175.010 174.900 0.059 0.000 1.024 254 G CA -0.157 44.990 45.100 0.079 0.000 0.755 254 G HN 0.461 nan 8.290 nan 0.000 0.507 255 L N -0.047 121.214 121.223 0.063 0.000 2.326 255 L HA 0.580 4.920 4.340 -0.000 0.000 0.278 255 L C 0.465 177.341 176.870 0.012 0.000 1.092 255 L CA -0.823 54.058 54.840 0.067 0.000 0.810 255 L CB 1.576 43.705 42.059 0.115 0.000 1.153 255 L HN -0.042 nan 8.230 nan 0.000 0.439 256 V N 4.950 124.866 119.914 0.005 0.000 2.487 256 V HA 0.429 4.549 4.120 -0.000 0.000 0.298 256 V C 0.012 176.047 176.094 -0.097 0.000 1.028 256 V CA -0.485 61.787 62.300 -0.047 0.000 0.860 256 V CB 2.130 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 3.958 125.063 121.223 -0.197 0.000 2.317 257 L HA 0.807 5.147 4.340 -0.000 0.000 0.281 257 L C 0.588 177.322 176.870 -0.227 0.000 1.024 257 L CA -0.320 54.343 54.840 -0.296 0.000 0.810 257 L CB 1.919 43.620 42.059 -0.597 0.000 1.240 257 L HN 0.775 nan 8.230 nan 0.000 0.427 258 G N 1.754 110.445 108.800 -0.181 0.000 2.452 258 G HA2 0.769 4.729 3.960 -0.000 0.000 0.324 258 G HA3 0.769 4.729 3.960 -0.000 0.000 0.324 258 G C -1.384 173.431 174.900 -0.141 0.000 1.214 258 G CA -0.389 44.628 45.100 -0.139 0.000 0.947 258 G HN 0.735 nan 8.290 nan 0.000 0.478 259 A N 1.153 123.891 122.820 -0.136 0.000 2.488 259 A HA 0.867 5.187 4.320 -0.000 0.000 0.298 259 A C -0.452 177.056 177.584 -0.127 0.000 1.044 259 A CA -0.572 51.403 52.037 -0.104 0.000 0.693 259 A CB 1.861 20.802 19.000 -0.099 0.000 1.272 259 A HN 0.786 nan 8.150 nan 0.000 0.402 260 T N 2.426 116.913 114.554 -0.112 0.000 2.886 260 T HA 0.555 4.905 4.350 -0.000 0.000 0.292 260 T C -0.583 173.954 174.700 -0.272 0.000 1.012 260 T CA -0.235 61.713 62.100 -0.253 0.000 0.982 260 T CB 1.127 69.767 68.868 -0.381 0.000 1.018 260 T HN 0.509 nan 8.240 nan 0.000 0.451 261 I N 2.993 123.388 120.570 -0.292 0.000 2.359 261 I HA 0.406 4.576 4.170 -0.000 0.000 0.294 261 I C -1.079 174.831 176.117 -0.345 0.000 0.987 261 I CA -0.794 60.398 61.300 -0.180 0.000 1.225 261 I CB 1.097 39.109 38.000 0.020 0.000 1.366 261 I HN 0.631 nan 8.210 nan 0.000 0.466 262 Y N 6.228 126.504 120.300 -0.039 0.000 2.364 262 Y HA 0.492 5.042 4.550 -0.000 0.000 0.340 262 Y C -0.304 175.576 175.900 -0.034 0.000 0.975 262 Y CA -0.727 57.351 58.100 -0.037 0.000 1.089 262 Y CB 1.561 39.991 38.460 -0.050 0.000 1.192 262 Y HN 0.295 nan 8.280 nan 0.000 0.454 263 L N 5.274 126.566 121.223 0.115 0.000 2.272 263 L HA 0.462 4.802 4.340 -0.000 0.000 0.289 263 L C -0.817 176.089 176.870 0.061 0.000 1.032 263 L CA -0.584 54.296 54.840 0.066 0.000 0.810 263 L CB 0.706 42.789 42.059 0.039 0.000 1.205 263 L HN 0.478 nan 8.230 nan 0.000 0.422 264 I N 2.402 122.995 120.570 0.039 0.000 2.392 264 I HA 0.406 4.576 4.170 -0.000 0.000 0.295 264 I C 0.901 177.030 176.117 0.019 0.000 0.985 264 I CA -0.221 61.091 61.300 0.019 0.000 1.221 264 I CB 1.423 39.418 38.000 -0.009 0.000 1.366 264 I HN 0.553 nan 8.210 nan 0.000 0.467 265 G N 3.289 112.101 108.800 0.020 0.000 2.562 265 G HA2 0.183 4.143 3.960 -0.000 0.000 0.275 265 G HA3 0.183 4.143 3.960 -0.000 0.000 0.275 265 G C 0.450 175.397 174.900 0.079 0.000 1.196 265 G CA -0.346 44.785 45.100 0.051 0.000 0.908 265 G HN 0.591 nan 8.290 nan 0.000 0.524 266 F N 0.689 120.621 119.950 -0.031 0.000 2.192 266 F HA -0.168 4.359 4.527 -0.000 0.000 0.301 266 F C 2.161 177.874 175.800 -0.145 0.000 1.079 266 F CA 2.046 59.956 58.000 -0.151 0.000 1.303 266 F CB 0.240 39.028 39.000 -0.355 0.000 1.024 266 F HN 0.437 nan 8.300 nan 0.000 0.494 267 D N -1.044 119.345 120.400 -0.018 0.000 2.325 267 D HA 0.155 4.795 4.640 -0.000 0.000 0.225 267 D C 1.783 178.054 176.300 -0.047 0.000 1.096 267 D CA 0.677 54.662 54.000 -0.025 0.000 0.844 267 D CB -0.588 40.363 40.800 0.251 0.000 0.925 267 D HN 0.400 nan 8.370 nan 0.000 0.513 268 G N -0.606 108.144 108.800 -0.083 0.000 2.179 268 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 268 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 268 G C 0.477 175.354 174.900 -0.038 0.000 0.977 268 G CA 0.492 45.548 45.100 -0.073 0.000 0.641 268 G HN 0.512 nan 8.290 nan 0.000 0.533 269 T N 1.705 116.258 114.554 -0.001 0.000 2.910 269 T HA 0.504 4.854 4.350 -0.000 0.000 0.293 269 T C 0.712 175.418 174.700 0.010 0.000 1.015 269 T CA 0.631 62.739 62.100 0.013 0.000 1.094 269 T CB 0.835 69.734 68.868 0.051 0.000 0.968 269 T HN 0.197 nan 8.240 nan 0.000 0.521 270 T N 3.635 118.198 114.554 0.014 0.000 2.769 270 T HA 0.148 4.498 4.350 -0.000 0.000 0.293 270 T C 1.466 176.193 174.700 0.045 0.000 0.931 270 T CA -0.472 61.657 62.100 0.047 0.000 1.139 270 T CB 0.690 69.611 68.868 0.087 0.000 0.881 270 T HN 0.364 nan 8.240 nan 0.000 0.532 271 V N 4.118 124.054 119.914 0.036 0.000 2.426 271 V HA 0.268 4.388 4.120 -0.000 0.000 0.242 271 V C 0.711 176.819 176.094 0.024 0.000 1.036 271 V CA 0.916 63.222 62.300 0.010 0.000 1.044 271 V CB -0.028 31.785 31.823 -0.017 0.000 0.688 271 V HN 0.723 nan 8.190 nan 0.000 0.462 272 I N -0.367 120.227 120.570 0.040 0.000 2.619 272 I HA 0.431 4.601 4.170 -0.000 0.000 0.292 272 I C -0.580 175.553 176.117 0.027 0.000 1.100 272 I CA -0.061 61.255 61.300 0.026 0.000 1.043 272 I CB 2.437 40.444 38.000 0.013 0.000 1.239 272 I HN 0.047 nan 8.210 nan 0.000 0.420 273 T N 5.703 120.246 114.554 -0.018 0.000 2.840 273 T HA 0.578 4.928 4.350 -0.000 0.000 0.287 273 T C -0.997 173.601 174.700 -0.169 0.000 0.991 273 T CA -0.666 61.351 62.100 -0.139 0.000 0.964 273 T CB 0.697 69.527 68.868 -0.064 0.000 0.954 273 T HN 0.417 nan 8.240 nan 0.000 0.438 274 R N 3.316 123.674 120.500 -0.237 0.000 2.483 274 R HA 0.599 4.939 4.340 -0.000 0.000 0.303 274 R C -0.287 175.888 176.300 -0.208 0.000 0.987 274 R CA -0.687 55.312 56.100 -0.168 0.000 0.881 274 R CB 1.539 31.780 30.300 -0.099 0.000 1.177 274 R HN 0.848 nan 8.270 nan 0.000 0.451 275 A N 2.779 125.493 122.820 -0.176 0.000 2.491 275 A HA 0.191 4.511 4.320 -0.000 0.000 0.261 275 A C 1.082 178.560 177.584 -0.177 0.000 1.101 275 A CA -0.188 51.746 52.037 -0.172 0.000 0.772 275 A CB 0.373 19.296 19.000 -0.129 0.000 1.043 275 A HN 0.525 nan 8.150 nan 0.000 0.501 276 V N 1.983 121.763 119.914 -0.223 0.000 2.949 276 V HA 0.352 4.472 4.120 -0.000 0.000 0.245 276 V C 1.106 177.014 176.094 -0.311 0.000 1.086 276 V CA 1.698 63.802 62.300 -0.326 0.000 1.097 276 V CB -0.134 31.366 31.823 -0.538 0.000 0.762 276 V HN 1.191 nan 8.190 nan 0.000 0.470 277 A N -0.268 122.405 122.820 -0.243 0.000 2.485 277 A HA 0.819 5.139 4.320 -0.000 0.000 0.285 277 A C -0.713 176.775 177.584 -0.161 0.000 1.045 277 A CA 0.210 52.128 52.037 -0.198 0.000 0.792 277 A CB 1.048 19.918 19.000 -0.217 0.000 1.307 277 A HN 0.411 nan 8.150 nan 0.000 0.406 278 A N 2.266 125.010 122.820 -0.126 0.000 2.337 278 A HA 0.790 5.110 4.320 -0.000 0.000 0.331 278 A C 0.344 177.874 177.584 -0.091 0.000 1.137 278 A CA -0.119 51.857 52.037 -0.101 0.000 0.807 278 A CB 0.317 19.269 19.000 -0.080 0.000 1.250 278 A HN 2.299 nan 8.150 nan 0.000 0.468 279 N N 1.004 119.656 118.700 -0.079 0.000 2.609 279 N HA -0.226 4.514 4.740 -0.000 0.000 0.304 279 N C -0.900 174.563 175.510 -0.079 0.000 1.284 279 N CA 1.035 54.045 53.050 -0.067 0.000 0.702 279 N CB -0.375 38.086 38.487 -0.044 0.000 1.002 279 N HN 0.775 nan 8.380 nan 0.000 0.535 280 N N 2.526 121.166 118.700 -0.100 0.000 2.621 280 N HA 0.309 5.049 4.740 -0.000 0.000 0.271 280 N C -0.374 175.067 175.510 -0.114 0.000 1.181 280 N CA 0.146 53.128 53.050 -0.114 0.000 0.805 280 N CB 1.011 39.403 38.487 -0.160 0.000 1.351 280 N HN 0.581 nan 8.380 nan 0.000 0.539 281 G N 2.363 111.120 108.800 -0.070 0.000 2.398 281 G HA2 0.364 4.324 3.960 -0.000 0.000 0.246 281 G HA3 0.364 4.324 3.960 -0.000 0.000 0.246 281 G C -0.018 174.850 174.900 -0.054 0.000 1.289 281 G CA -0.116 44.955 45.100 -0.049 0.000 0.869 281 G HN 0.541 nan 8.290 nan 0.000 0.543 282 L N 1.919 123.115 121.223 -0.044 0.000 2.295 282 L HA 0.346 4.686 4.340 -0.000 0.000 0.285 282 L C 0.436 177.312 176.870 0.009 0.000 1.035 282 L CA -0.700 54.122 54.840 -0.029 0.000 0.806 282 L CB 1.722 43.758 42.059 -0.039 0.000 1.214 282 L HN 0.393 nan 8.230 nan 0.000 0.426 283 T N 0.687 115.251 114.554 0.018 0.000 2.882 283 T HA 0.219 4.569 4.350 -0.000 0.000 0.287 283 T C 0.328 175.036 174.700 0.013 0.000 0.992 283 T CA -0.460 61.658 62.100 0.030 0.000 1.076 283 T CB 1.258 70.148 68.868 0.036 0.000 0.961 283 T HN 0.483 nan 8.240 nan 0.000 0.490 284 T N 2.275 116.819 114.554 -0.017 0.000 2.919 284 T HA 0.420 4.770 4.350 -0.000 0.000 0.302 284 T C 1.442 176.139 174.700 -0.005 0.000 1.031 284 T CA 0.690 62.745 62.100 -0.075 0.000 1.127 284 T CB 0.447 69.170 68.868 -0.241 0.000 0.952 284 T HN 1.007 nan 8.240 nan 0.000 0.540 285 G N 2.835 111.636 108.800 0.002 0.000 2.203 285 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.263 285 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.263 285 G C 0.201 175.119 174.900 0.030 0.000 1.012 285 G CA 0.382 45.495 45.100 0.021 0.000 0.749 285 G HN 0.914 nan 8.290 nan 0.000 0.512 286 T N -0.225 114.350 114.554 0.036 0.000 2.883 286 T HA 0.489 4.839 4.350 -0.000 0.000 0.301 286 T C -0.893 173.836 174.700 0.050 0.000 1.158 286 T CA -0.846 61.277 62.100 0.039 0.000 1.007 286 T CB 1.876 70.766 68.868 0.036 0.000 1.186 286 T HN 0.072 nan 8.240 nan 0.000 0.499 287 D N 2.212 122.640 120.400 0.046 0.000 2.425 287 D HA 0.175 4.815 4.640 -0.000 0.000 0.247 287 D C -0.316 176.022 176.300 0.064 0.000 1.147 287 D CA 0.303 54.336 54.000 0.055 0.000 0.879 287 D CB 0.349 41.173 40.800 0.040 0.000 1.179 287 D HN 0.378 nan 8.370 nan 0.000 0.456 288 N N 1.696 120.453 118.700 0.096 0.000 2.476 288 N HA 0.281 5.021 4.740 -0.000 0.000 0.257 288 N C -0.595 174.999 175.510 0.141 0.000 0.970 288 N CA -0.478 52.632 53.050 0.099 0.000 0.938 288 N CB 1.283 39.826 38.487 0.093 0.000 1.144 288 N HN 0.163 nan 8.380 nan 0.000 0.500 289 L N 1.722 123.000 121.223 0.091 0.000 2.326 289 L HA 0.460 4.800 4.340 -0.000 0.000 0.278 289 L C 0.107 177.039 176.870 0.104 0.000 1.092 289 L CA -0.174 54.724 54.840 0.096 0.000 0.810 289 L CB 0.905 42.999 42.059 0.059 0.000 1.153 289 L HN 0.465 nan 8.230 nan 0.000 0.439 290 M N 5.579 125.271 119.600 0.153 0.000 1.987 290 M HA 0.396 4.876 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 -1.607 53.760 55.300 0.112 0.000 0.885 290 M CB 1.597 34.336 32.600 0.232 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 -1.354 175.954 177.300 0.013 0.000 1.244 291 P CA -0.039 63.127 63.100 0.109 0.000 0.801 291 P CB 0.505 32.233 31.700 0.047 0.000 1.006 292 F N 1.314 121.279 119.950 0.024 0.000 2.427 292 F HA 0.371 4.898 4.527 -0.000 0.000 0.348 292 F C 0.771 176.584 175.800 0.021 0.000 1.125 292 F CA -0.142 57.873 58.000 0.024 0.000 0.989 292 F CB 0.972 39.995 39.000 0.037 0.000 1.165 292 F HN 0.127 nan 8.300 nan 0.000 0.442 293 N N 5.341 124.101 118.700 0.101 0.000 2.679 293 N HA 0.248 4.988 4.740 -0.000 0.000 0.302 293 N C -1.121 174.426 175.510 0.062 0.000 1.941 293 N CA -0.053 53.042 53.050 0.075 0.000 0.875 293 N CB 1.124 39.630 38.487 0.033 0.000 1.278 293 N HN 0.436 nan 8.380 nan 0.000 0.490 294 L N 0.919 122.200 121.223 0.096 0.000 2.289 294 L HA 0.542 4.882 4.340 -0.000 0.000 0.285 294 L C -0.039 176.879 176.870 0.080 0.000 1.049 294 L CA -0.785 54.099 54.840 0.074 0.000 0.804 294 L CB 1.739 43.854 42.059 0.093 0.000 1.195 294 L HN -0.205 nan 8.230 nan 0.000 0.428 295 V N 4.821 124.774 119.914 0.064 0.000 2.444 295 V HA 0.394 4.514 4.120 -0.000 0.000 0.294 295 V C -0.258 175.875 176.094 0.064 0.000 1.022 295 V CA -0.377 61.971 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 0.461 nan 8.190 nan 0.000 0.426 296 I N 8.523 129.138 120.570 0.075 0.000 2.328 296 I HA 0.423 4.593 4.170 -0.000 0.000 0.287 296 I C -2.128 174.029 176.117 0.067 0.000 1.012 296 I CA -1.872 59.462 61.300 0.057 0.000 1.195 296 I CB 1.952 39.981 38.000 0.047 0.000 1.350 296 I HN 0.438 nan 8.210 nan 0.000 0.464 297 P HA 0.141 nan 4.420 nan 0.000 0.274 297 P C 0.641 177.966 177.300 0.042 0.000 1.231 297 P CA -0.233 62.894 63.100 0.045 0.000 0.790 297 P CB 0.808 32.525 31.700 0.028 0.000 0.951 298 T N 1.051 115.631 114.554 0.044 0.000 2.653 298 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 298 T C 1.609 176.325 174.700 0.025 0.000 1.035 298 T CA 2.117 64.241 62.100 0.039 0.000 1.154 298 T CB -0.919 67.975 68.868 0.042 0.000 0.862 298 T HN 0.646 nan 8.240 nan 0.000 0.441 299 N N 1.371 120.085 118.700 0.023 0.000 2.443 299 N HA -0.155 4.585 4.740 -0.000 0.000 0.184 299 N C 1.392 176.912 175.510 0.017 0.000 1.037 299 N CA 1.010 54.072 53.050 0.020 0.000 0.896 299 N CB -0.214 38.285 38.487 0.019 0.000 0.959 299 N HN 0.511 nan 8.380 nan 0.000 0.442 300 E N 0.186 120.395 120.200 0.015 0.000 2.371 300 E HA 0.156 4.506 4.350 -0.000 0.000 0.194 300 E C 0.172 176.774 176.600 0.003 0.000 1.012 300 E CA 0.084 56.491 56.400 0.011 0.000 0.860 300 E CB 0.212 29.919 29.700 0.013 0.000 0.811 300 E HN 0.439 nan 8.360 nan 0.000 0.502 301 I N 2.366 122.936 120.570 -0.001 0.000 2.260 301 I HA -0.024 4.146 4.170 -0.000 0.000 0.297 301 I C 1.407 177.496 176.117 -0.045 0.000 1.143 301 I CA -0.058 61.230 61.300 -0.021 0.000 1.271 301 I CB 0.707 38.699 38.000 -0.013 0.000 1.461 301 I HN 0.036 nan 8.210 nan 0.000 0.530 302 T N 1.608 116.121 114.554 -0.067 0.000 3.055 302 T HA -0.008 4.342 4.350 -0.000 0.000 0.265 302 T C 0.527 175.069 174.700 -0.263 0.000 1.111 302 T CA 0.309 62.360 62.100 -0.082 0.000 1.118 302 T CB -0.075 68.772 68.868 -0.036 0.000 0.909 302 T HN 0.693 nan 8.240 nan 0.000 0.501 303 Q N -0.570 119.013 119.800 -0.361 0.000 2.522 303 Q HA 0.551 4.891 4.340 -0.000 0.000 0.285 303 Q C -3.479 172.395 176.000 -0.209 0.000 0.982 303 Q CA -2.576 52.885 55.803 -0.569 0.000 0.805 303 Q CB 0.822 28.748 28.738 -1.353 0.000 1.457 303 Q HN -0.120 nan 8.270 nan 0.000 0.394 304 P HA -0.021 nan 4.420 nan 0.000 0.261 304 P C -0.590 176.741 177.300 0.051 0.000 1.173 304 P CA 0.223 63.347 63.100 0.041 0.000 0.760 304 P CB 0.247 32.062 31.700 0.191 0.000 0.783 305 I N 3.159 123.750 120.570 0.036 0.000 2.441 305 I HA 0.073 4.243 4.170 -0.000 0.000 0.287 305 I C 1.532 177.689 176.117 0.065 0.000 1.049 305 I CA 0.678 62.002 61.300 0.040 0.000 1.381 305 I CB 0.401 38.416 38.000 0.025 0.000 1.409 305 I HN 0.350 nan 8.210 nan 0.000 0.523 306 T N 3.302 117.894 114.554 0.063 0.000 2.955 306 T HA 0.129 4.479 4.350 -0.000 0.000 0.251 306 T C 0.444 175.153 174.700 0.015 0.000 1.002 306 T CA 0.290 62.433 62.100 0.073 0.000 0.970 306 T CB 0.359 69.306 68.868 0.132 0.000 1.091 306 T HN 0.805 nan 8.240 nan 0.000 0.495 307 S N 0.104 115.801 115.700 -0.004 0.000 2.588 307 S HA 0.720 5.190 4.470 -0.000 0.000 0.269 307 S C -1.483 173.109 174.600 -0.012 0.000 1.157 307 S CA -0.944 57.241 58.200 -0.026 0.000 0.824 307 S CB 1.843 65.030 63.200 -0.022 0.000 1.126 307 S HN 0.273 nan 8.310 nan 0.000 0.464 308 I N 1.220 121.788 120.570 -0.004 0.000 2.545 308 I HA 0.713 4.883 4.170 -0.000 0.000 0.292 308 I C -1.328 174.778 176.117 -0.020 0.000 1.040 308 I CA -0.702 60.611 61.300 0.022 0.000 1.068 308 I CB 1.743 39.776 38.000 0.057 0.000 1.251 308 I HN 1.017 nan 8.210 nan 0.000 0.424 309 K N 6.354 126.706 120.400 -0.080 0.000 2.477 309 K HA 0.659 4.979 4.320 -0.000 0.000 0.255 309 K C -2.028 174.397 176.600 -0.293 0.000 0.952 309 K CA -0.967 55.149 56.287 -0.285 0.000 0.826 309 K CB 2.435 34.839 32.500 -0.160 0.000 1.331 309 K HN 0.468 nan 8.250 nan 0.000 0.437 310 L N 1.093 121.961 121.223 -0.593 0.000 2.349 310 L HA 0.438 4.778 4.340 -0.000 0.000 0.278 310 L C -1.185 175.621 176.870 -0.107 0.000 0.996 310 L CA -0.002 54.661 54.840 -0.295 0.000 0.825 310 L CB 1.772 43.614 42.059 -0.361 0.000 1.243 310 L HN 0.778 nan 8.230 nan 0.000 0.412 311 E N 5.141 125.381 120.200 0.067 0.000 2.214 311 E HA 0.573 4.923 4.350 -0.000 0.000 0.274 311 E C -1.141 175.505 176.600 0.076 0.000 0.977 311 E CA -0.614 55.846 56.400 0.101 0.000 0.827 311 E CB 2.330 32.155 29.700 0.209 0.000 1.130 311 E HN 0.542 nan 8.360 nan 0.000 0.394 312 I N 2.257 122.873 120.570 0.077 0.000 2.466 312 I HA 0.261 4.431 4.170 -0.000 0.000 0.289 312 I C -0.787 175.343 176.117 0.021 0.000 1.026 312 I CA -1.004 60.313 61.300 0.029 0.000 1.078 312 I CB 1.905 39.934 38.000 0.049 0.000 1.249 312 I HN 0.170 nan 8.210 nan 0.000 0.429 313 V N 4.205 124.106 119.914 -0.022 0.000 2.427 313 V HA 0.493 4.613 4.120 -0.000 0.000 0.286 313 V C 0.022 176.102 176.094 -0.024 0.000 1.034 313 V CA -0.404 61.895 62.300 -0.000 0.000 0.893 313 V CB 1.491 33.316 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 0.042 0.000 2.809 314 T HA 0.655 5.005 4.350 -0.000 0.000 0.284 314 T C -0.135 174.654 174.700 0.147 0.000 0.992 314 T CA -0.519 61.640 62.100 0.098 0.000 0.957 314 T CB 1.391 70.379 68.868 0.200 0.000 0.942 314 T HN 0.931 nan 8.240 nan 0.000 0.439 315 S N 2.628 118.407 115.700 0.131 0.000 2.627 315 S HA 0.784 5.254 4.470 -0.000 0.000 0.283 315 S C -1.209 173.499 174.600 0.180 0.000 1.127 315 S CA -1.127 57.181 58.200 0.180 0.000 0.863 315 S CB 2.348 65.628 63.200 0.133 0.000 1.121 315 S HN 0.558 nan 8.310 nan 0.000 0.479 316 K N 0.155 120.694 120.400 0.231 0.000 2.316 316 K HA 0.567 4.887 4.320 -0.000 0.000 0.251 316 K C 0.655 177.279 176.600 0.039 0.000 0.934 316 K CA -0.662 55.683 56.287 0.096 0.000 0.802 316 K CB 1.841 34.344 32.500 0.006 0.000 1.171 316 K HN 0.641 nan 8.250 nan 0.000 0.426 317 S N 1.219 116.923 115.700 0.008 0.000 2.354 317 S HA -0.162 4.308 4.470 -0.000 0.000 0.219 317 S C 1.524 176.095 174.600 -0.048 0.000 1.035 317 S CA 1.601 59.799 58.200 -0.003 0.000 1.037 317 S CB -0.360 62.839 63.200 -0.001 0.000 0.956 317 S HN 0.889 nan 8.310 nan 0.000 0.428 318 G N 0.552 109.295 108.800 -0.096 0.000 2.707 318 G HA2 0.376 4.336 3.960 -0.000 0.000 0.204 318 G HA3 0.376 4.336 3.960 -0.000 0.000 0.204 318 G C 0.580 175.302 174.900 -0.297 0.000 1.435 318 G CA 0.424 45.440 45.100 -0.141 0.000 0.890 318 G HN 1.298 nan 8.290 nan 0.000 0.552 319 G N -2.392 106.106 108.800 -0.504 0.000 2.788 319 G HA2 0.291 4.251 3.960 -0.000 0.000 0.686 319 G HA3 0.291 4.251 3.960 -0.000 0.000 0.686 319 G C -0.753 173.851 174.900 -0.493 0.000 1.147 319 G CA 0.172 44.590 45.100 -1.137 0.000 0.755 319 G HN 0.719 nan 8.290 nan 0.000 0.634 320 Q N -0.487 119.140 119.800 -0.288 0.000 2.870 320 Q HA 0.795 5.135 4.340 -0.000 0.000 0.366 320 Q C 1.503 177.623 176.000 0.200 0.000 0.738 320 Q CA 0.053 55.872 55.803 0.026 0.000 0.870 320 Q CB 0.615 29.343 28.738 -0.017 0.000 1.237 320 Q HN 1.477 nan 8.270 nan 0.000 0.497 321 A N 0.392 123.282 122.820 0.117 0.000 1.889 321 A HA 0.231 4.551 4.320 -0.000 0.000 0.209 321 A C 0.854 178.506 177.584 0.113 0.000 1.315 321 A CA 1.464 53.565 52.037 0.107 0.000 0.611 321 A CB -1.260 17.775 19.000 0.059 0.000 0.950 321 A HN 0.507 nan 8.150 nan 0.000 0.477 322 G N -0.969 107.873 108.800 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 -0.577 174.356 174.900 0.054 0.000 1.094 322 G CA -0.050 45.084 45.100 0.057 0.000 0.953 322 G HN 0.321 nan 8.290 nan 0.000 0.420 323 D N 0.638 121.085 120.400 0.078 0.000 2.473 323 D HA 0.036 4.676 4.640 -0.000 0.000 0.242 323 D C 0.348 176.679 176.300 0.052 0.000 1.106 323 D CA 0.188 54.222 54.000 0.057 0.000 0.854 323 D CB 0.355 41.185 40.800 0.051 0.000 1.192 323 D HN 0.343 nan 8.370 nan 0.000 0.503 324 Q N 0.777 120.608 119.800 0.051 0.000 2.499 324 Q HA -0.185 4.155 4.340 -0.000 0.000 0.262 324 Q C -0.343 175.677 176.000 0.034 0.000 1.328 324 Q CA 0.775 56.585 55.803 0.011 0.000 0.794 324 Q CB -1.437 27.290 28.738 -0.019 0.000 0.888 324 Q HN 0.445 nan 8.270 nan 0.000 0.305 325 M N 1.013 120.651 119.600 0.063 0.000 2.157 325 M HA 0.537 5.017 4.480 -0.000 0.000 0.354 325 M C 0.281 176.634 176.300 0.088 0.000 1.170 325 M CA -0.425 54.962 55.300 0.143 0.000 1.060 325 M CB 1.783 34.553 32.600 0.283 0.000 1.615 325 M HN 0.481 nan 8.290 nan 0.000 0.460 326 S N 3.065 118.834 115.700 0.116 0.000 2.541 326 S HA 0.866 5.336 4.470 -0.000 0.000 0.280 326 S C -1.456 173.277 174.600 0.222 0.000 1.112 326 S CA -0.838 57.387 58.200 0.041 0.000 0.925 326 S CB 1.733 64.907 63.200 -0.044 0.000 1.067 326 S HN 0.968 nan 8.310 nan 0.000 0.479 327 W N 0.195 121.680 121.300 0.308 0.000 3.118 327 W HA 0.721 5.381 4.660 -0.000 0.000 0.328 327 W C -1.222 175.429 176.519 0.220 0.000 1.239 327 W CA -0.875 56.617 57.345 0.244 0.000 1.176 327 W CB 1.254 30.876 29.460 0.269 0.000 1.433 327 W HN 0.707 nan 8.180 nan 0.000 0.562 328 S N 1.059 117.116 115.700 0.595 0.000 2.509 328 S HA 0.807 5.277 4.470 -0.000 0.000 0.297 328 S C -0.724 174.153 174.600 0.461 0.000 1.118 328 S CA -0.225 58.223 58.200 0.412 0.000 1.074 328 S CB 1.009 64.328 63.200 0.199 0.000 1.038 328 S HN 0.832 nan 8.310 nan 0.000 0.498 329 A N 4.460 127.498 122.820 0.364 0.000 2.414 329 A HA 0.871 5.191 4.320 -0.000 0.000 0.306 329 A C -0.604 176.965 177.584 -0.025 0.000 1.054 329 A CA -0.782 51.235 52.037 -0.033 0.000 0.724 329 A CB 1.444 20.397 19.000 -0.078 0.000 1.267 329 A HN 0.745 nan 8.150 nan 0.000 0.418 330 R N 0.764 121.161 120.500 -0.172 0.000 2.651 330 R HA 0.683 5.023 4.340 -0.000 0.000 0.278 330 R C -0.582 175.643 176.300 -0.125 0.000 1.010 330 R CA 0.336 56.384 56.100 -0.085 0.000 0.896 330 R CB 2.196 32.468 30.300 -0.045 0.000 1.211 330 R HN 2.072 nan 8.270 nan 0.000 0.456 331 G N 0.913 109.659 108.800 -0.089 0.000 2.333 331 G HA2 0.094 4.054 3.960 -0.000 0.000 0.330 331 G HA3 0.094 4.054 3.960 -0.000 0.000 0.330 331 G C -1.717 173.113 174.900 -0.117 0.000 1.465 331 G CA -0.641 44.403 45.100 -0.092 0.000 0.996 331 G HN 0.567 nan 8.290 nan 0.000 0.655 332 S N -0.541 115.086 115.700 -0.121 0.000 2.566 332 S HA 0.883 5.353 4.470 -0.000 0.000 0.298 332 S C -0.277 174.207 174.600 -0.193 0.000 1.083 332 S CA -0.960 57.140 58.200 -0.167 0.000 0.978 332 S CB 2.088 65.209 63.200 -0.131 0.000 1.073 332 S HN 0.768 nan 8.310 nan 0.000 0.491 333 L N 0.901 121.971 121.223 -0.255 0.000 2.319 333 L HA 0.887 5.227 4.340 -0.000 0.000 0.267 333 L C -0.268 176.512 176.870 -0.150 0.000 1.011 333 L CA -1.131 53.552 54.840 -0.262 0.000 0.818 333 L CB 1.790 43.609 42.059 -0.399 0.000 1.316 333 L HN 0.845 nan 8.230 nan 0.000 0.432 334 A N 1.649 124.418 122.820 -0.086 0.000 2.330 334 A HA 0.721 5.041 4.320 -0.000 0.000 0.313 334 A C -0.901 176.689 177.584 0.010 0.000 1.124 334 A CA -0.471 51.550 52.037 -0.027 0.000 0.774 334 A CB 1.502 20.492 19.000 -0.016 0.000 1.198 334 A HN 0.368 nan 8.150 nan 0.000 0.465 335 V N 2.817 122.767 119.914 0.060 0.000 2.328 335 V HA 0.406 4.526 4.120 -0.000 0.000 0.278 335 V C 0.103 176.246 176.094 0.082 0.000 1.021 335 V CA -0.227 62.129 62.300 0.093 0.000 0.838 335 V CB 1.189 33.101 31.823 0.150 0.000 0.999 335 V HN 0.871 nan 8.190 nan 0.000 0.447 336 T N 7.022 121.564 114.554 -0.019 0.000 2.743 336 T HA 0.484 4.834 4.350 -0.000 0.000 0.292 336 T C -0.025 174.530 174.700 -0.242 0.000 0.972 336 T CA -0.150 61.878 62.100 -0.119 0.000 0.967 336 T CB 0.655 69.433 68.868 -0.149 0.000 0.926 336 T HN 0.616 nan 8.240 nan 0.000 0.459 337 I N 1.862 122.343 120.570 -0.147 0.000 2.312 337 I HA 0.407 4.577 4.170 -0.000 0.000 0.290 337 I C -0.245 175.790 176.117 -0.138 0.000 1.008 337 I CA -0.798 60.412 61.300 -0.150 0.000 1.226 337 I CB 0.684 38.700 38.000 0.028 0.000 1.371 337 I HN 0.546 nan 8.210 nan 0.000 0.468 338 H N 5.341 124.437 119.070 0.043 0.000 2.886 338 H HA 0.132 4.688 4.556 -0.000 0.000 0.329 338 H C 1.477 176.817 175.328 0.020 0.000 1.044 338 H CA 1.059 57.123 56.048 0.027 0.000 1.456 338 H CB 0.878 30.652 29.762 0.021 0.000 1.464 338 H HN 1.026 nan 8.280 nan 0.000 0.573 339 G N 2.668 111.549 108.800 0.134 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 0.867 nan 8.290 nan 0.000 0.524 340 G N 0.121 108.960 108.800 0.066 0.000 2.450 340 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 340 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 340 G C 1.330 176.262 174.900 0.054 0.000 1.130 340 G CA 1.302 46.436 45.100 0.056 0.000 0.760 340 G HN 0.519 nan 8.290 nan 0.000 0.557 341 N N -0.860 117.865 118.700 0.042 0.000 2.336 341 N HA 0.061 4.801 4.740 -0.000 0.000 0.189 341 N C -0.273 175.265 175.510 0.047 0.000 1.113 341 N CA -0.476 52.585 53.050 0.019 0.000 0.858 341 N CB -0.116 38.359 38.487 -0.020 0.000 0.970 341 N HN 0.429 nan 8.380 nan 0.000 0.471 342 Y N 2.703 122.985 120.300 -0.029 0.000 2.605 342 Y HA 0.140 4.690 4.550 -0.000 0.000 0.336 342 Y C -2.101 173.775 175.900 -0.040 0.000 1.111 342 Y CA -2.012 56.066 58.100 -0.036 0.000 1.422 342 Y CB 0.493 38.923 38.460 -0.049 0.000 1.193 342 Y HN 0.005 nan 8.280 nan 0.000 0.526 343 P HA 0.077 nan 4.420 nan 0.000 0.260 343 P C 0.529 177.753 177.300 -0.127 0.000 1.185 343 P CA 1.952 64.904 63.100 -0.247 0.000 0.763 343 P CB 0.479 31.982 31.700 -0.330 0.000 0.776 344 G N 3.274 112.091 108.800 0.028 0.000 2.313 344 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.215 344 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.215 344 G C 1.208 176.226 174.900 0.197 0.000 1.023 344 G CA 0.330 45.508 45.100 0.130 0.000 0.626 344 G HN 0.612 nan 8.290 nan 0.000 0.503 345 A N -0.211 122.708 122.820 0.166 0.000 1.969 345 A HA 0.540 4.860 4.320 -0.000 0.000 0.218 345 A C 2.184 179.891 177.584 0.204 0.000 1.169 345 A CA 2.040 54.137 52.037 0.100 0.000 0.635 345 A CB -0.195 18.843 19.000 0.063 0.000 0.810 345 A HN 0.979 nan 8.150 nan 0.000 0.445 346 L N -3.782 117.544 121.223 0.172 0.000 3.316 346 L HA 0.202 4.542 4.340 -0.000 0.000 0.300 346 L C 2.053 179.052 176.870 0.215 0.000 1.128 346 L CA 0.198 55.137 54.840 0.165 0.000 1.111 346 L CB 0.067 42.204 42.059 0.130 0.000 1.687 346 L HN 0.295 nan 8.230 nan 0.000 0.594 347 R N 1.740 122.335 120.500 0.160 0.000 2.072 347 R HA 0.078 4.418 4.340 -0.000 0.000 0.221 347 R C -1.770 174.595 176.300 0.109 0.000 1.166 347 R CA 0.701 56.859 56.100 0.097 0.000 0.917 347 R CB -0.904 29.408 30.300 0.021 0.000 0.815 347 R HN 0.020 nan 8.270 nan 0.000 0.444 348 P HA 0.124 nan 4.420 nan 0.000 0.275 348 P C -1.304 176.108 177.300 0.187 0.000 1.227 348 P CA 0.137 63.286 63.100 0.081 0.000 0.781 348 P CB 1.518 33.244 31.700 0.043 0.000 0.906 349 V N 3.297 123.326 119.914 0.192 0.000 2.588 349 V HA 0.388 4.508 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 -0.287 62.119 62.300 0.178 0.000 0.877 349 V CB 2.243 34.191 31.823 0.208 0.000 0.996 349 V HN 0.468 nan 8.190 nan 0.000 0.425 350 T N 6.043 120.644 114.554 0.078 0.000 2.770 350 T HA 0.631 4.981 4.350 -0.000 0.000 0.283 350 T C -0.621 174.112 174.700 0.054 0.000 0.988 350 T CA -0.279 61.877 62.100 0.093 0.000 0.957 350 T CB 0.921 69.867 68.868 0.131 0.000 0.930 350 T HN 0.233 nan 8.240 nan 0.000 0.443 351 L N 4.107 125.335 121.223 0.008 0.000 2.282 351 L HA 0.557 4.897 4.340 -0.000 0.000 0.288 351 L C -0.363 176.514 176.870 0.011 0.000 1.033 351 L CA -0.428 54.379 54.840 -0.056 0.000 0.807 351 L CB 1.699 43.692 42.059 -0.110 0.000 1.209 351 L HN 0.384 nan 8.230 nan 0.000 0.423 352 V N 3.413 123.343 119.914 0.027 0.000 2.326 352 V HA 0.752 4.872 4.120 -0.000 0.000 0.281 352 V C 0.084 176.256 176.094 0.130 0.000 1.015 352 V CA -0.670 61.695 62.300 0.107 0.000 0.823 352 V CB 1.269 33.218 31.823 0.210 0.000 1.009 352 V HN 0.828 nan 8.190 nan 0.000 0.436 353 A N 5.571 128.465 122.820 0.123 0.000 2.317 353 A HA 0.916 5.236 4.320 -0.000 0.000 0.327 353 A C -0.903 176.915 177.584 0.390 0.000 1.178 353 A CA -0.484 51.661 52.037 0.180 0.000 0.817 353 A CB 0.851 19.931 19.000 0.134 0.000 1.189 353 A HN 0.979 nan 8.150 nan 0.000 0.489 354 Y N -0.016 120.479 120.300 0.325 0.000 2.524 354 Y HA 0.794 5.344 4.550 -0.000 0.000 0.344 354 Y C -0.313 175.654 175.900 0.111 0.000 1.012 354 Y CA -0.945 57.315 58.100 0.267 0.000 1.068 354 Y CB 1.365 39.919 38.460 0.157 0.000 1.249 354 Y HN 0.851 nan 8.280 nan 0.000 0.468 355 E N 0.827 121.041 120.200 0.022 0.000 2.412 355 E HA 0.566 4.916 4.350 -0.000 0.000 0.279 355 E C -0.557 175.995 176.600 -0.081 0.000 0.984 355 E CA -1.287 55.007 56.400 -0.177 0.000 0.788 355 E CB 1.521 30.880 29.700 -0.568 0.000 1.277 355 E HN 0.581 nan 8.360 nan 0.000 0.455 356 R N -0.889 119.576 120.500 -0.059 0.000 3.989 356 R HA -0.102 4.238 4.340 -0.000 0.000 0.377 356 R C -0.448 175.867 176.300 0.025 0.000 1.158 356 R CA 0.855 56.938 56.100 -0.028 0.000 1.035 356 R CB -2.823 27.442 30.300 -0.057 0.000 1.557 356 R HN 0.484 nan 8.270 nan 0.000 0.551 357 V N 1.387 121.350 119.914 0.082 0.000 2.614 357 V HA 0.442 4.562 4.120 -0.000 0.000 0.291 357 V C 1.445 177.574 176.094 0.058 0.000 1.049 357 V CA -0.053 62.293 62.300 0.077 0.000 1.038 357 V CB 1.543 33.431 31.823 0.108 0.000 0.980 357 V HN 0.365 nan 8.190 nan 0.000 0.481 358 A N 3.845 126.684 122.820 0.031 0.000 2.511 358 A HA 0.324 4.644 4.320 -0.000 0.000 0.242 358 A C 0.764 178.367 177.584 0.031 0.000 1.069 358 A CA -0.003 52.048 52.037 0.024 0.000 0.763 358 A CB -0.302 18.706 19.000 0.014 0.000 1.001 358 A HN 0.865 nan 8.150 nan 0.000 0.498 359 T N 1.871 116.444 114.554 0.032 0.000 2.908 359 T HA 0.401 4.750 4.350 -0.000 0.000 0.301 359 T C 1.543 176.259 174.700 0.026 0.000 1.019 359 T CA 1.618 63.740 62.100 0.036 0.000 1.152 359 T CB 0.407 69.291 68.868 0.027 0.000 0.966 359 T HN 2.024 nan 8.240 nan 0.000 0.540 360 G N 2.713 111.530 108.800 0.030 0.000 2.195 360 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.246 360 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.246 360 G C 0.378 175.283 174.900 0.009 0.000 0.984 360 G CA 0.111 45.223 45.100 0.019 0.000 0.633 360 G HN 1.132 nan 8.290 nan 0.000 0.525 361 S N -0.698 115.004 115.700 0.004 0.000 2.632 361 S HA 0.721 5.191 4.470 -0.000 0.000 0.267 361 S C 0.143 174.722 174.600 -0.034 0.000 1.276 361 S CA -0.266 57.925 58.200 -0.014 0.000 0.998 361 S CB 2.492 65.682 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 -0.046 0.000 2.394 362 V HA 0.354 4.474 4.120 -0.000 0.000 0.282 362 V C -0.267 175.764 176.094 -0.106 0.000 1.031 362 V CA -0.757 61.505 62.300 -0.063 0.000 0.881 362 V CB 1.308 33.108 31.823 -0.039 0.000 0.982 362 V HN 0.775 nan 8.190 nan 0.000 0.451 363 V N 4.601 124.413 119.914 -0.170 0.000 2.364 363 V HA 0.312 4.431 4.120 -0.000 0.000 0.272 363 V C 0.476 176.486 176.094 -0.139 0.000 1.036 363 V CA -0.086 62.081 62.300 -0.221 0.000 0.880 363 V CB 1.648 33.203 31.823 -0.446 0.000 0.991 363 V HN 0.970 nan 8.190 nan 0.000 0.460 364 T N 5.281 119.789 114.554 -0.076 0.000 2.767 364 T HA 0.533 4.883 4.350 -0.000 0.000 0.288 364 T C -0.235 174.474 174.700 0.015 0.000 0.963 364 T CA -0.272 61.815 62.100 -0.022 0.000 1.019 364 T CB 1.418 70.278 68.868 -0.014 0.000 0.923 364 T HN 0.334 nan 8.240 nan 0.000 0.468 365 V N 2.651 122.605 119.914 0.066 0.000 2.459 365 V HA 0.836 4.956 4.120 -0.000 0.000 0.295 365 V C -0.096 176.065 176.094 0.112 0.000 1.029 365 V CA -0.815 61.562 62.300 0.129 0.000 0.874 365 V CB 1.419 33.380 31.823 0.231 0.000 0.985 365 V HN 1.070 nan 8.190 nan 0.000 0.438 366 A N 3.400 126.264 122.820 0.073 0.000 2.427 366 A HA 0.969 5.289 4.320 -0.000 0.000 0.298 366 A C -0.174 177.420 177.584 0.016 0.000 1.036 366 A CA -0.009 52.052 52.037 0.041 0.000 0.701 366 A CB 1.889 20.898 19.000 0.016 0.000 1.250 366 A HN 1.210 nan 8.150 nan 0.000 0.412 367 G N -0.314 108.500 108.800 0.023 0.000 2.695 367 G HA2 0.638 4.598 3.960 -0.000 0.000 0.290 367 G HA3 0.638 4.598 3.960 -0.000 0.000 0.290 367 G C -1.778 173.126 174.900 0.008 0.000 1.410 367 G CA -0.561 44.531 45.100 -0.012 0.000 0.844 367 G HN 1.130 nan 8.290 nan 0.000 0.478 368 V N 0.265 120.170 119.914 -0.015 0.000 2.638 368 V HA 0.688 4.808 4.120 -0.000 0.000 0.306 368 V C -0.262 175.813 176.094 -0.031 0.000 1.052 368 V CA -0.710 61.591 62.300 0.002 0.000 0.885 368 V CB 1.915 33.738 31.823 -0.001 0.000 0.999 368 V HN 0.758 nan 8.190 nan 0.000 0.424 369 S N 4.091 119.782 115.700 -0.015 0.000 2.482 369 S HA 0.582 5.052 4.470 -0.000 0.000 0.303 369 S C -0.648 173.758 174.600 -0.324 0.000 1.091 369 S CA -0.810 57.283 58.200 -0.179 0.000 1.057 369 S CB 1.191 64.359 63.200 -0.053 0.000 1.031 369 S HN 0.751 nan 8.310 nan 0.000 0.485 370 N N 1.710 120.091 118.700 -0.531 0.000 2.321 370 N HA 0.609 5.349 4.740 -0.000 0.000 0.299 370 N C -1.501 173.642 175.510 -0.611 0.000 1.048 370 N CA -0.227 52.601 53.050 -0.370 0.000 0.836 370 N CB 1.400 39.803 38.487 -0.140 0.000 1.269 370 N HN 0.404 nan 8.380 nan 0.000 0.486 371 F N 0.019 119.988 119.950 0.032 0.000 2.576 371 F HA 0.334 4.861 4.527 -0.000 0.000 0.313 371 F C 0.495 176.301 175.800 0.010 0.000 1.078 371 F CA -0.875 57.126 58.000 0.002 0.000 0.921 371 F CB 1.904 40.877 39.000 -0.045 0.000 1.232 371 F HN 0.148 nan 8.300 nan 0.000 0.459 372 E N 2.968 123.273 120.200 0.174 0.000 2.227 372 E HA 0.607 4.957 4.350 -0.000 0.000 0.282 372 E C -1.154 175.578 176.600 0.221 0.000 1.015 372 E CA -0.434 56.050 56.400 0.140 0.000 0.823 372 E CB 1.575 31.172 29.700 -0.173 0.000 1.081 372 E HN 0.414 nan 8.360 nan 0.000 0.396 373 L N 3.693 125.072 121.223 0.260 0.000 2.388 373 L HA 0.555 4.895 4.340 -0.000 0.000 0.264 373 L C -0.659 176.386 176.870 0.291 0.000 0.998 373 L CA -0.821 54.111 54.840 0.154 0.000 0.817 373 L CB 1.863 43.688 42.059 -0.389 0.000 1.338 373 L HN 0.429 nan 8.230 nan 0.000 0.414 374 I N 3.425 124.198 120.570 0.337 0.000 2.362 374 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 374 I C -2.214 174.138 176.117 0.392 0.000 0.994 374 I CA -2.010 59.464 61.300 0.291 0.000 1.158 374 I CB 1.973 40.088 38.000 0.191 0.000 1.315 374 I HN 0.245 nan 8.210 nan 0.000 0.451 375 P HA 0.058 nan 4.420 nan 0.000 0.272 375 P C -0.981 176.355 177.300 0.060 0.000 1.223 375 P CA -0.343 62.851 63.100 0.158 0.000 0.784 375 P CB 0.277 32.010 31.700 0.056 0.000 0.923 376 N N 2.438 121.104 118.700 -0.056 0.000 2.354 376 N HA 0.076 4.816 4.740 -0.000 0.000 0.246 376 N C -1.973 173.517 175.510 -0.032 0.000 1.285 376 N CA -1.603 51.424 53.050 -0.038 0.000 0.925 376 N CB -1.361 37.080 38.487 -0.077 0.000 1.174 376 N HN 0.154 nan 8.380 nan 0.000 0.478 377 P HA -0.161 nan 4.420 nan 0.000 0.216 377 P C 0.977 178.261 177.300 -0.027 0.000 1.150 377 P CA 1.504 64.595 63.100 -0.014 0.000 0.843 377 P CB 0.200 31.894 31.700 -0.010 0.000 0.787 378 E N -0.955 119.220 120.200 -0.042 0.000 2.072 378 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 378 E C 1.761 178.330 176.600 -0.053 0.000 0.982 378 E CA 0.734 57.108 56.400 -0.044 0.000 0.803 378 E CB -1.039 28.633 29.700 -0.047 0.000 0.755 378 E HN 0.016 nan 8.360 nan 0.000 0.453 379 L N -0.023 121.151 121.223 -0.081 0.000 2.156 379 L HA 0.113 4.453 4.340 -0.000 0.000 0.208 379 L C 2.034 178.874 176.870 -0.051 0.000 1.095 379 L CA 1.485 56.269 54.840 -0.093 0.000 0.770 379 L CB -0.669 41.275 42.059 -0.192 0.000 0.914 379 L HN 0.180 nan 8.230 nan 0.000 0.439 380 A N -0.882 121.917 122.820 -0.035 0.000 2.131 380 A HA -0.226 4.094 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 1.528 53.559 52.037 -0.010 0.000 0.665 380 A CB -0.524 18.475 19.000 -0.002 0.000 0.795 380 A HN 0.476 nan 8.150 nan 0.000 0.460 381 K N -0.790 119.600 120.400 -0.017 0.000 2.366 381 K HA 0.015 4.335 4.320 -0.000 0.000 0.198 381 K C 0.376 176.970 176.600 -0.010 0.000 1.044 381 K CA 0.852 57.131 56.287 -0.013 0.000 0.973 381 K CB 0.054 32.545 32.500 -0.015 0.000 0.767 381 K HN 0.389 nan 8.250 nan 0.000 0.475 382 N N -0.170 118.524 118.700 -0.010 0.000 2.118 382 N HA 0.047 4.787 4.740 -0.000 0.000 0.226 382 N C -1.011 174.501 175.510 0.004 0.000 1.305 382 N CA -0.049 52.999 53.050 -0.004 0.000 0.890 382 N CB 1.076 39.558 38.487 -0.007 0.000 1.118 382 N HN -0.017 nan 8.380 nan 0.000 0.511 383 L N 2.509 123.736 121.223 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 -0.563 54.294 54.840 0.029 0.000 0.846 383 L CB 1.222 43.311 42.059 0.050 0.000 1.220 383 L HN -0.276 nan 8.230 nan 0.000 0.423 384 V N 4.103 124.025 119.914 0.013 0.000 2.585 384 V HA 0.246 4.366 4.120 -0.000 0.000 0.296 384 V C 0.844 176.928 176.094 -0.017 0.000 1.035 384 V CA 0.009 62.306 62.300 -0.006 0.000 1.084 384 V CB 1.258 33.076 31.823 -0.007 0.000 0.953 384 V HN 0.908 nan 8.190 nan 0.000 0.483 385 T N 2.481 117.005 114.554 -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 2.300 71.113 68.868 -0.091 0.000 1.056 385 T HN 0.678 nan 8.240 nan 0.000 0.480 386 E N 0.139 120.190 120.200 -0.248 0.000 2.408 386 E HA 0.359 4.709 4.350 -0.000 0.000 0.275 386 E C -1.282 175.110 176.600 -0.346 0.000 0.935 386 E CA -0.978 55.269 56.400 -0.255 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 0.501 120.758 120.300 -0.071 0.000 2.480 387 Y HA 0.231 4.781 4.550 -0.000 0.000 0.338 387 Y C 1.429 177.324 175.900 -0.008 0.000 1.220 387 Y CA 0.188 58.287 58.100 -0.002 0.000 1.430 387 Y CB 0.529 39.004 38.460 0.025 0.000 1.311 387 Y HN 0.606 nan 8.280 nan 0.000 0.575 388 G N 2.834 111.818 108.800 0.306 0.000 2.559 388 G HA2 0.062 4.022 3.960 -0.000 0.000 0.235 388 G HA3 0.062 4.022 3.960 -0.000 0.000 0.235 388 G C -0.213 174.804 174.900 0.195 0.000 1.266 388 G CA -0.885 44.369 45.100 0.257 0.000 0.847 388 G HN 0.437 nan 8.290 nan 0.000 0.583 389 R N -0.126 120.465 120.500 0.151 0.000 2.538 389 R HA -0.013 4.327 4.340 -0.000 0.000 0.282 389 R C -0.322 176.087 176.300 0.182 0.000 1.009 389 R CA -0.429 55.755 56.100 0.141 0.000 1.063 389 R CB -0.000 30.355 30.300 0.093 0.000 0.945 389 R HN 0.382 nan 8.270 nan 0.000 0.414 390 F N 4.850 124.820 119.950 0.033 0.000 2.421 390 F HA 0.168 4.695 4.527 -0.000 0.000 0.358 390 F C -0.347 175.461 175.800 0.013 0.000 1.115 390 F CA -1.397 56.613 58.000 0.017 0.000 1.160 390 F CB 0.465 39.469 39.000 0.007 0.000 1.123 390 F HN 0.483 nan 8.300 nan 0.000 0.508 391 D N 8.073 128.168 120.400 -0.509 0.000 2.686 391 D HA 0.322 4.962 4.640 -0.000 0.000 0.249 391 D C -3.291 172.593 176.300 -0.693 0.000 1.260 391 D CA -2.037 51.549 54.000 -0.689 0.000 0.910 391 D CB 1.741 42.362 40.800 -0.298 0.000 1.323 391 D HN 0.216 nan 8.370 nan 0.000 0.561 392 P HA 0.284 nan 4.420 nan 0.000 0.274 392 P C 1.012 178.201 177.300 -0.184 0.000 1.231 392 P CA 0.447 63.307 63.100 -0.400 0.000 0.790 392 P CB 1.083 32.634 31.700 -0.248 0.000 0.951 393 G N 1.405 110.168 108.800 -0.062 0.000 2.205 393 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.261 393 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.261 393 G C 1.123 176.047 174.900 0.039 0.000 0.980 393 G CA 0.714 45.815 45.100 0.001 0.000 0.632 393 G HN 0.737 nan 8.290 nan 0.000 0.533 394 A N -0.488 122.325 122.820 -0.012 0.000 1.877 394 A HA 0.201 4.521 4.320 -0.000 0.000 0.216 394 A C 2.273 179.922 177.584 0.109 0.000 1.186 394 A CA 2.833 54.901 52.037 0.050 0.000 0.620 394 A CB -0.370 18.625 19.000 -0.008 0.000 0.822 394 A HN 1.150 nan 8.150 nan 0.000 0.443 395 M N 0.844 120.458 119.600 0.024 0.000 2.132 395 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 395 M C 1.542 177.892 176.300 0.083 0.000 1.065 395 M CA 1.732 57.040 55.300 0.013 0.000 1.122 395 M CB -0.955 31.620 32.600 -0.041 0.000 1.365 395 M HN 0.512 nan 8.290 nan 0.000 0.411 396 N N -1.329 117.426 118.700 0.090 0.000 2.166 396 N HA -0.216 4.524 4.740 -0.000 0.000 0.186 396 N C 1.731 177.319 175.510 0.130 0.000 1.019 396 N CA 1.598 54.706 53.050 0.097 0.000 0.856 396 N CB -0.402 38.138 38.487 0.088 0.000 0.993 396 N HN 0.427 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 -0.159 4.391 4.550 -0.000 0.000 0.290 397 Y C 2.522 178.480 175.900 0.096 0.000 1.137 397 Y CA 1.405 59.547 58.100 0.070 0.000 1.163 397 Y CB -0.467 38.036 38.460 0.071 0.000 0.988 397 Y HN -0.034 nan 8.280 nan 0.000 0.518 398 T N 0.184 114.869 114.554 0.218 0.000 2.708 398 T HA -0.200 4.150 4.350 -0.000 0.000 0.266 398 T C 1.800 176.563 174.700 0.105 0.000 1.037 398 T CA 1.905 64.123 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 0.266 nan 8.240 nan 0.000 0.435 399 K N 0.380 120.836 120.400 0.093 0.000 2.097 399 K HA -0.012 4.308 4.320 -0.000 0.000 0.206 399 K C 2.198 178.799 176.600 0.003 0.000 1.049 399 K CA 0.846 57.170 56.287 0.062 0.000 0.933 399 K CB -0.342 32.195 32.500 0.061 0.000 0.717 399 K HN 0.138 nan 8.250 nan 0.000 0.442 400 L N 1.307 122.503 121.223 -0.045 0.000 1.994 400 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 400 L C 1.898 178.692 176.870 -0.128 0.000 1.071 400 L CA 1.576 56.358 54.840 -0.097 0.000 0.745 400 L CB -0.374 41.593 42.059 -0.154 0.000 0.892 400 L HN 0.082 nan 8.230 nan 0.000 0.431 401 I N -0.280 120.170 120.570 -0.201 0.000 2.127 401 I HA -0.319 3.851 4.170 -0.000 0.000 0.241 401 I C 2.600 178.683 176.117 -0.057 0.000 1.075 401 I CA 1.658 62.865 61.300 -0.155 0.000 1.334 401 I CB -1.271 36.629 38.000 -0.167 0.000 1.040 401 I HN 0.323 nan 8.210 nan 0.000 0.405 402 L N 0.039 121.249 121.223 -0.022 0.000 2.093 402 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 402 L C 2.700 179.559 176.870 -0.019 0.000 1.085 402 L CA 1.413 56.250 54.840 -0.005 0.000 0.755 402 L CB -0.609 41.467 42.059 0.028 0.000 0.904 402 L HN 0.277 nan 8.230 nan 0.000 0.435 403 S N -0.228 115.460 115.700 -0.020 0.000 2.400 403 S HA -0.163 4.307 4.470 -0.000 0.000 0.232 403 S C 1.519 176.104 174.600 -0.025 0.000 1.025 403 S CA 1.192 59.379 58.200 -0.021 0.000 0.993 403 S CB -0.073 63.117 63.200 -0.018 0.000 0.808 403 S HN 0.402 nan 8.310 nan 0.000 0.478 404 E N 0.640 120.822 120.200 -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 -0.271 56.116 56.400 -0.022 0.000 0.933 404 E CB -0.011 29.677 29.700 -0.019 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 0.897 177.160 176.300 -0.061 0.000 1.137 405 R CA 1.882 57.956 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 0.086 nan 8.270 nan 0.000 0.435 406 D N -0.280 120.083 120.400 -0.061 0.000 2.149 406 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 406 D C 2.027 178.293 176.300 -0.056 0.000 0.972 406 D CA 1.413 55.369 54.000 -0.073 0.000 0.835 406 D CB -0.219 40.542 40.800 -0.065 0.000 0.966 406 D HN 0.450 nan 8.370 nan 0.000 0.476 407 R N 0.787 121.268 120.500 -0.031 0.000 2.148 407 R HA 0.018 4.358 4.340 -0.000 0.000 0.223 407 R C 1.999 178.302 176.300 0.006 0.000 1.088 407 R CA 0.780 56.873 56.100 -0.013 0.000 0.985 407 R CB -0.434 29.866 30.300 -0.001 0.000 0.880 407 R HN 0.144 nan 8.270 nan 0.000 0.451 408 L N 0.344 121.576 121.223 0.016 0.000 2.446 408 L HA 0.277 4.617 4.340 -0.000 0.000 0.219 408 L C 0.914 177.808 176.870 0.040 0.000 1.116 408 L CA 0.514 55.397 54.840 0.071 0.000 0.844 408 L CB 0.004 42.127 42.059 0.107 0.000 0.970 408 L HN 0.630 nan 8.230 nan 0.000 0.457 409 G N 1.530 110.293 108.800 -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 0.038 174.740 174.900 -0.330 0.000 1.067 409 G CA -0.200 44.795 45.100 -0.175 0.000 0.902 409 G HN 0.301 nan 8.290 nan 0.000 0.500 410 I N 0.820 121.239 120.570 -0.251 0.000 2.294 410 I HA 0.211 4.381 4.170 -0.000 0.000 0.295 410 I C 0.920 176.816 176.117 -0.368 0.000 1.098 410 I CA -0.039 61.108 61.300 -0.257 0.000 1.277 410 I CB 0.433 38.388 38.000 -0.075 0.000 1.434 410 I HN 0.084 nan 8.210 nan 0.000 0.498 411 K N 3.371 123.283 120.400 -0.814 0.000 2.087 411 K HA 0.335 4.655 4.320 -0.000 0.000 0.255 411 K C 1.149 177.513 176.600 -0.392 0.000 0.988 411 K CA -0.459 55.309 56.287 -0.865 0.000 0.915 411 K CB 1.215 32.755 32.500 -1.600 0.000 1.043 411 K HN 0.561 nan 8.250 nan 0.000 0.457 412 T N -3.124 111.274 114.554 -0.261 0.000 3.051 412 T HA 0.047 4.397 4.350 -0.000 0.000 0.255 412 T C 0.682 175.359 174.700 -0.039 0.000 1.085 412 T CA -0.116 61.941 62.100 -0.072 0.000 1.109 412 T CB -0.137 68.694 68.868 -0.060 0.000 0.921 412 T HN 0.372 nan 8.240 nan 0.000 0.488 413 V N -1.706 118.107 119.914 -0.168 0.000 2.577 413 V HA 0.811 4.931 4.120 -0.000 0.000 0.303 413 V C -1.812 174.197 176.094 -0.143 0.000 1.042 413 V CA -1.752 60.515 62.300 -0.055 0.000 0.872 413 V CB 0.889 32.690 31.823 -0.037 0.000 0.998 413 V HN 0.351 nan 8.190 nan 0.000 0.423 414 W N 3.585 124.841 121.300 -0.074 0.000 2.844 414 W HA 0.735 5.395 4.660 -0.000 0.000 0.340 414 W C -2.720 173.798 176.519 -0.002 0.000 1.093 414 W CA -2.506 54.821 57.345 -0.031 0.000 1.212 414 W CB 1.820 31.280 29.460 0.000 0.000 1.422 414 W HN 0.344 nan 8.180 nan 0.000 0.515 415 P HA 0.075 nan 4.420 nan 0.000 0.271 415 P C 0.839 178.289 177.300 0.250 0.000 1.226 415 P CA 0.379 63.600 63.100 0.202 0.000 0.765 415 P CB 0.823 32.617 31.700 0.157 0.000 0.835 416 T N 2.803 117.462 114.554 0.176 0.000 2.699 416 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 416 T C 1.770 176.574 174.700 0.173 0.000 1.036 416 T CA 1.769 63.964 62.100 0.158 0.000 1.147 416 T CB -0.351 68.575 68.868 0.096 0.000 0.862 416 T HN 0.432 nan 8.240 nan 0.000 0.446 417 R N 1.468 122.053 120.500 0.141 0.000 2.091 417 R HA -0.100 4.240 4.340 -0.000 0.000 0.238 417 R C 2.114 178.501 176.300 0.145 0.000 1.136 417 R CA 1.849 58.021 56.100 0.119 0.000 0.959 417 R CB -0.385 29.973 30.300 0.095 0.000 0.856 417 R HN 0.474 nan 8.270 nan 0.000 0.437 418 E N -1.179 119.147 120.200 0.210 0.000 2.152 418 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 418 E C 1.569 178.354 176.600 0.309 0.000 0.983 418 E CA 1.131 57.698 56.400 0.277 0.000 0.818 418 E CB -0.200 29.706 29.700 0.344 0.000 0.758 418 E HN 0.431 nan 8.360 nan 0.000 0.467 419 Y N 1.527 121.872 120.300 0.075 0.000 2.220 419 Y HA -0.179 4.371 4.550 -0.000 0.000 0.291 419 Y C 2.354 178.157 175.900 -0.161 0.000 1.129 419 Y CA 1.627 59.480 58.100 -0.411 0.000 1.161 419 Y CB -0.330 37.735 38.460 -0.658 0.000 0.997 419 Y HN -0.111 nan 8.280 nan 0.000 0.522 420 T N 0.418 114.937 114.554 -0.059 0.000 2.684 420 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 420 T C 1.328 175.979 174.700 -0.081 0.000 1.036 420 T CA 1.754 63.800 62.100 -0.090 0.000 1.148 420 T CB -0.394 68.486 68.868 0.020 0.000 0.863 420 T HN 0.356 nan 8.240 nan 0.000 0.436 421 D N 0.449 120.857 120.400 0.012 0.000 2.123 421 D HA -0.068 4.572 4.640 -0.000 0.000 0.196 421 D C 1.664 178.012 176.300 0.079 0.000 0.992 421 D CA 0.739 54.773 54.000 0.057 0.000 0.833 421 D CB -0.499 40.358 40.800 0.097 0.000 0.954 421 D HN 0.367 nan 8.370 nan 0.000 0.455 422 F N 1.794 121.687 119.950 -0.095 0.000 2.095 422 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 422 F C 2.283 178.038 175.800 -0.074 0.000 1.104 422 F CA 1.438 59.396 58.000 -0.070 0.000 1.232 422 F CB -0.084 38.793 39.000 -0.205 0.000 0.987 422 F HN -0.205 nan 8.300 nan 0.000 0.475 423 R N 0.373 120.655 120.500 -0.363 0.000 2.096 423 R HA -0.241 4.099 4.340 -0.000 0.000 0.240 423 R C 2.364 178.537 176.300 -0.212 0.000 1.139 423 R CA 2.173 58.066 56.100 -0.345 0.000 0.952 423 R CB -0.790 29.303 30.300 -0.344 0.000 0.854 423 R HN 0.637 nan 8.270 nan 0.000 0.436 424 E N -0.609 119.508 120.200 -0.139 0.000 2.216 424 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 424 E C 1.647 178.196 176.600 -0.085 0.000 0.988 424 E CA 0.791 57.128 56.400 -0.104 0.000 0.834 424 E CB -0.293 29.372 29.700 -0.058 0.000 0.772 424 E HN 0.415 nan 8.360 nan 0.000 0.479 425 Y N 1.081 121.287 120.300 -0.156 0.000 2.130 425 Y HA -0.028 4.522 4.550 -0.000 0.000 0.287 425 Y C 1.110 176.926 175.900 -0.140 0.000 1.124 425 Y CA 0.950 58.983 58.100 -0.112 0.000 1.118 425 Y CB -0.258 38.178 38.460 -0.040 0.000 0.994 425 Y HN 0.091 nan 8.280 nan 0.000 0.497 426 F N 0.514 120.297 119.950 -0.279 0.000 2.521 426 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 426 F C 1.017 176.639 175.800 -0.295 0.000 1.289 426 F CA 0.206 57.983 58.000 -0.371 0.000 1.315 426 F CB 0.198 38.779 39.000 -0.700 0.000 1.257 426 F HN 0.134 nan 8.300 nan 0.000 0.541 427 M N 2.135 120.771 119.600 -1.607 0.000 2.212 427 M HA -0.258 4.222 4.480 -0.000 0.000 0.193 427 M C 0.274 176.259 176.300 -0.524 0.000 0.493 427 M CA 0.763 55.431 55.300 -1.052 0.000 0.427 427 M CB -1.115 31.084 32.600 -0.670 0.000 1.120 427 M HN 0.806 nan 8.290 nan 0.000 0.929 428 E N -1.084 118.841 120.200 -0.457 0.000 2.474 428 E HA 0.182 4.532 4.350 -0.000 0.000 0.195 428 E C -0.033 176.420 176.600 -0.244 0.000 1.039 428 E CA 0.134 56.353 56.400 -0.301 0.000 0.881 428 E CB 0.702 30.232 29.700 -0.283 0.000 0.970 428 E HN 0.402 nan 8.360 nan 0.000 0.486 429 V N 0.922 120.673 119.914 -0.273 0.000 2.483 429 V HA 0.572 4.692 4.120 -0.000 0.000 0.297 429 V C -0.661 175.314 176.094 -0.198 0.000 1.027 429 V CA -0.604 61.574 62.300 -0.203 0.000 0.855 429 V CB 1.620 33.342 31.823 -0.167 0.000 0.995 429 V HN 0.066 nan 8.190 nan 0.000 0.424 430 A N 3.064 125.794 122.820 -0.149 0.000 2.839 430 A HA 0.471 4.791 4.320 -0.000 0.000 0.303 430 A C -0.402 177.127 177.584 -0.090 0.000 1.181 430 A CA -0.309 51.657 52.037 -0.119 0.000 0.808 430 A CB 0.575 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 2.369 122.721 120.400 -0.080 0.000 2.615 431 D HA 0.409 5.049 4.640 -0.000 0.000 0.236 431 D C 1.154 177.422 176.300 -0.053 0.000 1.233 431 D CA 0.305 54.264 54.000 -0.068 0.000 0.829 431 D CB -0.486 40.272 40.800 -0.070 0.000 1.024 431 D HN 0.651 nan 8.370 nan 0.000 0.490 432 L N -1.493 119.701 121.223 -0.048 0.000 5.895 432 L HA -0.352 3.988 4.340 -0.000 0.000 0.053 432 L C 0.616 177.466 176.870 -0.035 0.000 2.741 432 L CA 1.244 56.062 54.840 -0.037 0.000 1.500 432 L CB -1.647 40.393 42.059 -0.033 0.000 2.928 432 L HN 0.283 nan 8.230 nan 0.000 1.023 433 N N -0.388 118.294 118.700 -0.030 0.000 3.112 433 N HA 0.647 5.387 4.740 -0.000 0.000 0.231 433 N C -0.378 175.117 175.510 -0.025 0.000 1.385 433 N CA 0.454 53.488 53.050 -0.028 0.000 0.790 433 N CB 0.494 38.967 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 0.501 4.971 4.470 -0.000 0.000 0.276 434 S C -1.248 173.340 174.600 -0.019 0.000 1.350 434 S CA -0.507 57.679 58.200 -0.024 0.000 1.024 434 S CB -0.717 62.468 63.200 -0.026 0.000 0.864 434 S HN 0.585 nan 8.310 nan 0.000 0.536 435 P HA -0.094 nan 4.420 nan 0.000 0.041 435 P C 0.192 177.485 177.300 -0.012 0.000 0.590 435 P CA 0.553 63.645 63.100 -0.014 0.000 1.019 435 P CB -0.687 31.005 31.700 -0.013 0.000 1.776 436 L N 0.564 121.780 121.223 -0.012 0.000 2.127 436 L HA -0.107 4.233 4.340 -0.000 0.000 0.203 436 L C 2.683 179.548 176.870 -0.009 0.000 1.080 436 L CA 1.651 56.485 54.840 -0.010 0.000 0.768 436 L CB -1.049 41.005 42.059 -0.010 0.000 0.924 436 L HN 0.071 nan 8.230 nan 0.000 0.444 437 K N 0.938 121.332 120.400 -0.010 0.000 2.362 437 K HA -0.116 4.204 4.320 -0.000 0.000 0.202 437 K C 1.523 178.119 176.600 -0.008 0.000 1.045 437 K CA 1.991 58.273 56.287 -0.009 0.000 0.936 437 K CB -0.825 31.669 32.500 -0.010 0.000 0.747 437 K HN 0.518 nan 8.250 nan 0.000 0.467 438 I N -1.860 118.705 120.570 -0.008 0.000 4.439 438 I HA 0.225 4.395 4.170 -0.000 0.000 0.331 438 I C 2.413 178.526 176.117 -0.007 0.000 1.345 438 I CA 0.418 61.713 61.300 -0.008 0.000 1.193 438 I CB 0.746 38.741 38.000 -0.009 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 0.028 4.348 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 2.135 54.169 52.037 -0.006 0.000 0.673 439 A CB -1.171 17.826 19.000 -0.006 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