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_T 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 0.000 174.623 174.700 -0.128 0.000 1.109 8 T CA 0.000 62.013 62.100 -0.145 0.000 1.349 8 T CB 0.000 68.835 68.868 -0.054 0.000 0.612 9 Q N 0.459 120.165 119.800 -0.157 0.000 2.285 9 Q HA 0.867 5.207 4.340 -0.000 0.000 0.269 9 Q C 0.654 176.583 176.000 -0.119 0.000 1.030 9 Q CA 0.687 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 -0.279 4.061 4.340 -0.000 0.000 0.409 10 Q C 1.131 177.053 176.000 -0.129 0.000 1.118 10 Q CA 4.481 60.222 55.803 -0.103 0.000 0.966 10 Q CB -2.619 26.070 28.738 -0.082 0.000 1.795 10 Q HN 2.310 nan 8.270 nan 0.000 0.941 11 I N -6.415 114.083 120.570 -0.120 0.000 3.519 11 I HA 0.729 4.899 4.170 -0.000 0.000 0.314 11 I C -0.602 175.445 176.117 -0.117 0.000 1.273 11 I CA -0.589 60.632 61.300 -0.131 0.000 1.108 11 I CB 1.738 39.667 38.000 -0.118 0.000 1.212 11 I HN 0.651 nan 8.210 nan 0.000 0.420 12 V N 1.740 121.616 119.914 -0.065 0.000 2.419 12 V HA 0.291 4.411 4.120 -0.000 0.000 0.287 12 V C -1.866 174.262 176.094 0.057 0.000 1.017 12 V CA -1.096 61.185 62.300 -0.032 0.000 0.844 12 V CB 1.087 32.869 31.823 -0.068 0.000 1.011 12 V HN 0.536 nan 8.190 nan 0.000 0.429 13 P HA -0.257 nan 4.420 nan 0.000 0.219 13 P C 1.585 178.959 177.300 0.124 0.000 1.158 13 P CA 1.684 64.832 63.100 0.080 0.000 0.895 13 P CB 0.115 31.864 31.700 0.081 0.000 0.792 14 F N -0.343 119.625 119.950 0.028 0.000 2.102 14 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 14 F C 2.045 177.885 175.800 0.068 0.000 1.105 14 F CA 1.295 59.313 58.000 0.030 0.000 1.239 14 F CB -0.729 38.264 39.000 -0.010 0.000 0.991 14 F HN -0.234 nan 8.300 nan 0.000 0.474 15 I N 0.641 121.215 120.570 0.007 0.000 2.226 15 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 15 I C 2.582 178.688 176.117 -0.020 0.000 1.100 15 I CA 1.417 62.708 61.300 -0.015 0.000 1.374 15 I CB -1.304 36.852 38.000 0.260 0.000 1.057 15 I HN 0.211 nan 8.210 nan 0.000 0.413 16 R N 0.268 120.832 120.500 0.105 0.000 2.083 16 R HA -0.195 4.144 4.340 -0.000 0.000 0.237 16 R C 2.596 178.910 176.300 0.024 0.000 1.137 16 R CA 2.127 58.320 56.100 0.155 0.000 0.951 16 R CB -0.233 30.136 30.300 0.115 0.000 0.851 16 R HN 0.224 nan 8.270 nan 0.000 0.434 17 S N 0.086 115.743 115.700 -0.072 0.000 2.368 17 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 17 S C 1.846 176.332 174.600 -0.190 0.000 1.029 17 S CA 1.139 59.274 58.200 -0.107 0.000 0.988 17 S CB -0.247 62.899 63.200 -0.090 0.000 0.838 17 S HN 0.355 nan 8.310 nan 0.000 0.462 18 L N 1.290 122.279 121.223 -0.391 0.000 2.027 18 L HA 0.136 4.476 4.340 -0.000 0.000 0.206 18 L C 1.960 178.754 176.870 -0.127 0.000 1.074 18 L CA 1.799 56.428 54.840 -0.351 0.000 0.745 18 L CB -0.441 41.283 42.059 -0.558 0.000 0.898 18 L HN 0.373 nan 8.230 nan 0.000 0.433 19 L N -1.523 119.646 121.223 -0.090 0.000 2.375 19 L HA 0.085 4.425 4.340 -0.000 0.000 0.215 19 L C 0.674 177.627 176.870 0.139 0.000 1.108 19 L CA 0.311 55.166 54.840 0.025 0.000 0.830 19 L CB 0.004 41.994 42.059 -0.115 0.000 0.959 19 L HN 0.238 nan 8.230 nan 0.000 0.457 20 M N -0.533 119.125 119.600 0.095 0.000 2.389 20 M HA 0.238 4.718 4.480 -0.000 0.000 0.206 20 M C -1.980 174.360 176.300 0.066 0.000 0.976 20 M CA -1.275 54.106 55.300 0.136 0.000 0.648 20 M CB 1.596 34.270 32.600 0.124 0.000 1.474 20 M HN -0.264 nan 8.290 nan 0.000 0.398 21 P HA -0.157 nan 4.420 nan 0.000 0.219 21 P C 1.363 178.664 177.300 0.001 0.000 1.146 21 P CA 1.471 64.564 63.100 -0.013 0.000 0.808 21 P CB -0.179 31.492 31.700 -0.048 0.000 0.779 22 T N -5.705 108.863 114.554 0.022 0.000 3.025 22 T HA -0.081 4.269 4.350 -0.000 0.000 0.270 22 T C 1.699 176.414 174.700 0.024 0.000 1.126 22 T CA 1.392 63.505 62.100 0.022 0.000 1.105 22 T CB -1.436 67.452 68.868 0.034 0.000 0.884 22 T HN 0.016 nan 8.240 nan 0.000 0.522 23 T N 0.856 115.426 114.554 0.027 0.000 3.023 23 T HA 0.451 4.801 4.350 -0.000 0.000 0.266 23 T C 0.931 175.645 174.700 0.023 0.000 1.093 23 T CA 1.052 63.166 62.100 0.024 0.000 1.129 23 T CB -0.668 68.218 68.868 0.030 0.000 0.899 23 T HN 0.993 nan 8.240 nan 0.000 0.491 24 G N 1.338 110.151 108.800 0.022 0.000 2.408 24 G HA2 0.072 4.032 3.960 -0.000 0.000 0.682 24 G HA3 0.072 4.032 3.960 -0.000 0.000 0.682 24 G C -3.333 171.586 174.900 0.031 0.000 1.303 24 G CA -0.956 44.161 45.100 0.030 0.000 0.966 24 G HN 0.076 nan 8.290 nan 0.000 0.560 25 P HA 0.720 nan 4.420 nan 0.000 0.283 25 P C -0.457 176.905 177.300 0.102 0.000 1.271 25 P CA 0.187 63.328 63.100 0.068 0.000 0.841 25 P CB 1.986 33.739 31.700 0.088 0.000 1.122 26 A N 0.525 123.436 122.820 0.152 0.000 2.572 26 A HA 0.603 4.923 4.320 -0.000 0.000 0.295 26 A C -0.526 177.214 177.584 0.259 0.000 1.072 26 A CA -0.543 51.617 52.037 0.204 0.000 0.691 26 A CB 0.730 19.866 19.000 0.227 0.000 1.291 26 A HN 0.383 nan 8.150 nan 0.000 0.404 27 S N 0.788 116.626 115.700 0.229 0.000 2.549 27 S HA 0.363 4.833 4.470 -0.000 0.000 0.279 27 S C 0.293 174.875 174.600 -0.030 0.000 1.321 27 S CA -0.165 58.141 58.200 0.176 0.000 1.054 27 S CB 0.075 63.444 63.200 0.281 0.000 0.899 27 S HN 0.462 nan 8.310 nan 0.000 0.497 28 I N 4.939 125.377 120.570 -0.221 0.000 2.598 28 I HA 0.105 4.275 4.170 -0.000 0.000 0.284 28 I C -1.561 174.220 176.117 -0.560 0.000 1.140 28 I CA -1.402 59.471 61.300 -0.712 0.000 1.420 28 I CB 0.386 38.072 38.000 -0.523 0.000 1.387 28 I HN 0.427 nan 8.210 nan 0.000 0.553 29 P HA 0.109 nan 4.420 nan 0.000 0.214 29 P C -1.041 176.096 177.300 -0.272 0.000 1.807 29 P CA -0.266 62.622 63.100 -0.354 0.000 0.921 29 P CB -0.404 31.110 31.700 -0.309 0.000 1.835 30 D N -1.017 119.236 120.400 -0.246 0.000 2.541 30 D HA 0.119 4.759 4.640 -0.000 0.000 0.276 30 D C 0.450 176.730 176.300 -0.033 0.000 1.190 30 D CA -0.365 53.560 54.000 -0.125 0.000 1.095 30 D CB -0.009 40.729 40.800 -0.103 0.000 1.173 30 D HN -0.175 nan 8.370 nan 0.000 0.604 31 D N -1.346 119.055 120.400 0.001 0.000 2.349 31 D HA 0.040 4.680 4.640 -0.000 0.000 0.214 31 D C -0.007 176.320 176.300 0.046 0.000 1.063 31 D CA 0.322 54.335 54.000 0.022 0.000 0.847 31 D CB 0.079 40.891 40.800 0.019 0.000 0.933 31 D HN 0.274 nan 8.370 nan 0.000 0.513 32 T N 2.124 116.716 114.554 0.062 0.000 4.104 32 T HA 0.178 4.528 4.350 -0.000 0.000 0.285 32 T C 0.897 175.699 174.700 0.171 0.000 1.346 32 T CA -0.093 62.078 62.100 0.118 0.000 1.158 32 T CB -0.335 68.613 68.868 0.134 0.000 1.290 32 T HN 0.033 nan 8.240 nan 0.000 0.975 33 L N 3.403 124.717 121.223 0.152 0.000 2.404 33 L HA 0.253 4.593 4.340 -0.000 0.000 0.277 33 L C 0.773 177.852 176.870 0.347 0.000 1.184 33 L CA 0.048 55.029 54.840 0.235 0.000 1.013 33 L CB -0.086 42.026 42.059 0.089 0.000 1.318 33 L HN 0.378 nan 8.230 nan 0.000 0.435 34 E N 2.938 123.329 120.200 0.318 0.000 2.207 34 E HA 0.315 4.665 4.350 -0.000 0.000 0.270 34 E C -0.599 176.020 176.600 0.031 0.000 0.927 34 E CA -0.953 55.503 56.400 0.094 0.000 0.799 34 E CB 2.424 31.958 29.700 -0.277 0.000 1.172 34 E HN 0.318 nan 8.360 nan 0.000 0.404 35 K N 3.469 123.638 120.400 -0.385 0.000 2.412 35 K HA 0.047 4.367 4.320 -0.000 0.000 0.284 35 K C 0.228 176.745 176.600 -0.138 0.000 1.046 35 K CA 0.316 56.319 56.287 -0.474 0.000 0.999 35 K CB 0.137 32.308 32.500 -0.548 0.000 0.941 35 K HN 0.523 nan 8.250 nan 0.000 0.474 36 H N -0.223 118.784 119.070 -0.105 0.000 2.959 36 H HA 0.483 5.039 4.556 -0.000 0.000 0.296 36 H C -1.079 174.281 175.328 0.053 0.000 1.421 36 H CA -0.799 55.260 56.048 0.019 0.000 1.206 36 H CB 1.931 31.797 29.762 0.172 0.000 1.891 36 H HN 0.402 nan 8.280 nan 0.000 0.573 37 T N 0.599 115.267 114.554 0.190 0.000 2.906 37 T HA 0.542 4.892 4.350 -0.000 0.000 0.295 37 T C -0.879 173.960 174.700 0.232 0.000 1.061 37 T CA -0.740 61.433 62.100 0.122 0.000 1.000 37 T CB 1.102 70.048 68.868 0.130 0.000 1.103 37 T HN 0.412 nan 8.240 nan 0.000 0.486 38 L N 3.490 124.819 121.223 0.176 0.000 2.307 38 L HA 0.740 5.080 4.340 -0.000 0.000 0.284 38 L C 0.025 176.976 176.870 0.135 0.000 1.023 38 L CA -0.746 54.207 54.840 0.188 0.000 0.810 38 L CB 1.592 43.758 42.059 0.178 0.000 1.231 38 L HN 0.507 nan 8.230 nan 0.000 0.423 39 R N 0.901 121.486 120.500 0.142 0.000 2.771 39 R HA 0.600 4.940 4.340 -0.000 0.000 0.274 39 R C -1.290 175.123 176.300 0.189 0.000 0.987 39 R CA -0.470 55.714 56.100 0.140 0.000 0.908 39 R CB 2.497 32.847 30.300 0.084 0.000 1.213 39 R HN 0.519 nan 8.270 nan 0.000 0.468 40 S N 1.187 116.982 115.700 0.158 0.000 2.501 40 S HA 0.498 4.968 4.470 -0.000 0.000 0.301 40 S C -1.106 173.608 174.600 0.190 0.000 1.096 40 S CA -0.848 57.443 58.200 0.151 0.000 1.063 40 S CB 1.470 64.723 63.200 0.088 0.000 1.042 40 S HN 0.316 nan 8.310 nan 0.000 0.494 41 E N 2.332 122.675 120.200 0.239 0.000 2.224 41 E HA 0.338 4.688 4.350 -0.000 0.000 0.265 41 E C -0.399 176.299 176.600 0.163 0.000 0.878 41 E CA -0.496 56.036 56.400 0.219 0.000 0.759 41 E CB 2.027 31.912 29.700 0.307 0.000 1.164 41 E HN 0.724 nan 8.360 nan 0.000 0.414 42 T N -0.566 114.054 114.554 0.110 0.000 2.882 42 T HA 0.503 4.853 4.350 -0.000 0.000 0.287 42 T C 0.312 175.066 174.700 0.089 0.000 1.014 42 T CA -0.611 61.535 62.100 0.077 0.000 1.049 42 T CB 0.963 69.855 68.868 0.040 0.000 1.001 42 T HN 0.117 nan 8.240 nan 0.000 0.525 43 S N 1.329 117.081 115.700 0.087 0.000 2.561 43 S HA 0.670 5.140 4.470 -0.000 0.000 0.303 43 S C -0.317 174.306 174.600 0.038 0.000 1.110 43 S CA -0.922 57.349 58.200 0.118 0.000 1.034 43 S CB 1.408 64.759 63.200 0.252 0.000 1.010 43 S HN 1.068 nan 8.310 nan 0.000 0.482 44 T N 1.156 115.608 114.554 -0.171 0.000 2.881 44 T HA 0.717 5.067 4.350 -0.000 0.000 0.291 44 T C -1.318 173.072 174.700 -0.516 0.000 0.990 44 T CA -0.523 61.457 62.100 -0.199 0.000 0.976 44 T CB 0.432 69.210 68.868 -0.151 0.000 0.970 44 T HN 0.422 nan 8.240 nan 0.000 0.438 45 Y N 1.446 121.751 120.300 0.008 0.000 2.457 45 Y HA 0.550 5.100 4.550 -0.000 0.000 0.343 45 Y C -0.184 175.692 175.900 -0.041 0.000 0.994 45 Y CA -1.229 56.861 58.100 -0.016 0.000 1.031 45 Y CB 2.334 40.779 38.460 -0.024 0.000 1.246 45 Y HN 0.571 nan 8.280 nan 0.000 0.449 46 N N 3.967 122.722 118.700 0.091 0.000 2.621 46 N HA 0.382 5.122 4.740 -0.000 0.000 0.237 46 N C -1.299 174.216 175.510 0.009 0.000 0.997 46 N CA -0.296 52.768 53.050 0.024 0.000 0.918 46 N CB 0.933 39.422 38.487 0.002 0.000 1.122 46 N HN 0.549 nan 8.380 nan 0.000 0.510 47 L N 0.959 122.145 121.223 -0.062 0.000 2.350 47 L HA 0.425 4.765 4.340 -0.000 0.000 0.275 47 L C 0.721 177.550 176.870 -0.069 0.000 1.099 47 L CA -0.392 54.376 54.840 -0.120 0.000 0.808 47 L CB 0.793 42.591 42.059 -0.435 0.000 1.149 47 L HN 0.172 nan 8.230 nan 0.000 0.442 48 T N 1.832 116.397 114.554 0.020 0.000 2.799 48 T HA 0.339 4.689 4.350 -0.000 0.000 0.286 48 T C 0.085 174.851 174.700 0.110 0.000 0.973 48 T CA -0.485 61.640 62.100 0.042 0.000 1.035 48 T CB 1.671 70.565 68.868 0.044 0.000 0.932 48 T HN 0.205 nan 8.240 nan 0.000 0.469 49 V N 3.461 123.423 119.914 0.080 0.000 2.555 49 V HA 0.461 4.581 4.120 -0.000 0.000 0.286 49 V C 1.216 177.389 176.094 0.132 0.000 1.044 49 V CA -0.266 62.127 62.300 0.155 0.000 1.026 49 V CB 1.025 32.912 31.823 0.106 0.000 0.981 49 V HN 1.046 nan 8.190 nan 0.000 0.480 50 G N 2.350 111.242 108.800 0.155 0.000 2.535 50 G HA2 0.174 4.134 3.960 -0.000 0.000 0.282 50 G HA3 0.174 4.134 3.960 -0.000 0.000 0.282 50 G C 0.541 175.477 174.900 0.060 0.000 1.350 50 G CA -0.234 44.918 45.100 0.086 0.000 1.039 50 G HN 0.673 nan 8.290 nan 0.000 0.509 51 D N -0.509 119.909 120.400 0.030 0.000 2.158 51 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 51 D C 2.798 179.102 176.300 0.007 0.000 0.995 51 D CA 2.106 56.114 54.000 0.014 0.000 0.846 51 D CB -0.261 40.539 40.800 0.001 0.000 0.941 51 D HN 0.449 nan 8.370 nan 0.000 0.456 52 T N -3.597 110.957 114.554 -0.001 0.000 3.088 52 T HA 0.223 4.573 4.350 -0.000 0.000 0.259 52 T C 1.668 176.366 174.700 -0.003 0.000 1.122 52 T CA 0.853 62.941 62.100 -0.021 0.000 1.095 52 T CB 0.153 68.987 68.868 -0.058 0.000 0.930 52 T HN 0.218 nan 8.240 nan 0.000 0.508 53 G N 0.224 109.051 108.800 0.046 0.000 2.160 53 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.251 53 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.251 53 G C 0.044 175.028 174.900 0.140 0.000 1.008 53 G CA 0.288 45.446 45.100 0.095 0.000 0.724 53 G HN 1.000 nan 8.290 nan 0.000 0.514 54 S N -1.322 114.415 115.700 0.061 0.000 2.546 54 S HA 0.930 5.400 4.470 -0.000 0.000 0.274 54 S C 0.099 174.485 174.600 -0.355 0.000 1.121 54 S CA 0.719 58.826 58.200 -0.155 0.000 0.887 54 S CB 1.849 64.954 63.200 -0.159 0.000 1.094 54 S HN 1.934 nan 8.310 nan 0.000 0.474 55 G N 1.105 109.369 108.800 -0.893 0.000 2.488 55 G HA2 0.561 4.521 3.960 -0.000 0.000 0.301 55 G HA3 0.561 4.521 3.960 -0.000 0.000 0.301 55 G C -2.478 172.164 174.900 -0.430 0.000 1.339 55 G CA -0.527 44.213 45.100 -0.600 0.000 0.803 55 G HN 1.000 nan 8.290 nan 0.000 0.482 56 L N -0.122 121.135 121.223 0.057 0.000 2.464 56 L HA 0.780 5.120 4.340 -0.000 0.000 0.266 56 L C -1.209 175.773 176.870 0.187 0.000 0.965 56 L CA -0.654 54.250 54.840 0.106 0.000 0.833 56 L CB 1.788 43.843 42.059 -0.007 0.000 1.296 56 L HN 0.518 nan 8.230 nan 0.000 0.405 57 I N 5.363 125.977 120.570 0.073 0.000 2.339 57 I HA 0.443 4.613 4.170 -0.000 0.000 0.290 57 I C -0.651 175.226 176.117 -0.399 0.000 0.994 57 I CA -0.905 60.289 61.300 -0.177 0.000 1.191 57 I CB 1.844 39.629 38.000 -0.358 0.000 1.343 57 I HN 0.255 nan 8.210 nan 0.000 0.458 58 V N 7.298 126.932 119.914 -0.466 0.000 2.350 58 V HA 0.362 4.482 4.120 -0.000 0.000 0.276 58 V C -0.269 175.342 176.094 -0.804 0.000 1.028 58 V CA -0.326 61.639 62.300 -0.559 0.000 0.860 58 V CB 0.818 32.334 31.823 -0.512 0.000 0.990 58 V HN 0.403 nan 8.190 nan 0.000 0.453 59 F N 4.088 123.764 119.950 -0.457 0.000 2.458 59 F HA 0.583 5.110 4.527 0.000 0.000 0.330 59 F C -0.011 175.466 175.800 -0.538 0.000 1.082 59 F CA -0.623 57.127 58.000 -0.417 0.000 0.995 59 F CB 1.748 40.656 39.000 -0.153 0.000 1.170 59 F HN 0.366 nan 8.300 nan 0.000 0.478 60 F N 3.594 123.717 119.950 0.289 0.000 2.334 60 F HA 0.280 4.807 4.527 -0.000 0.000 0.343 60 F C -1.639 174.307 175.800 0.242 0.000 1.136 60 F CA -1.810 56.331 58.000 0.236 0.000 1.237 60 F CB 0.248 39.381 39.000 0.221 0.000 1.525 60 F HN 0.267 nan 8.300 nan 0.000 0.528 61 P HA -0.132 nan 4.420 nan 0.000 0.219 61 P C 1.387 178.792 177.300 0.175 0.000 1.146 61 P CA 1.242 64.436 63.100 0.155 0.000 0.808 61 P CB 0.318 32.063 31.700 0.075 0.000 0.779 62 G N -1.680 107.256 108.800 0.227 0.000 3.337 62 G HA2 0.048 4.008 3.960 -0.000 0.000 0.246 62 G HA3 0.048 4.008 3.960 -0.000 0.000 0.246 62 G C -0.165 174.889 174.900 0.257 0.000 1.131 62 G CA -0.390 44.822 45.100 0.186 0.000 0.773 62 G HN 0.152 nan 8.290 nan 0.000 0.544 63 F N 3.168 123.253 119.950 0.224 0.000 2.571 63 F HA 0.286 4.813 4.527 -0.000 0.000 0.384 63 F C -1.595 174.355 175.800 0.249 0.000 1.058 63 F CA -2.444 55.689 58.000 0.222 0.000 1.200 63 F CB 1.109 40.244 39.000 0.225 0.000 1.077 63 F HN -0.053 nan 8.300 nan 0.000 0.558 64 P HA 0.319 nan 4.420 nan 0.000 0.238 64 P C -0.054 177.177 177.300 -0.115 0.000 1.794 64 P CA 0.356 63.402 63.100 -0.090 0.000 1.088 64 P CB 0.237 31.803 31.700 -0.223 0.000 1.923 65 G N 0.434 109.427 108.800 0.322 0.000 2.368 65 G HA2 0.001 3.961 3.960 -0.000 0.000 0.269 65 G HA3 0.001 3.961 3.960 -0.000 0.000 0.269 65 G C 0.224 175.381 174.900 0.430 0.000 1.291 65 G CA -0.351 44.903 45.100 0.256 0.000 0.903 65 G HN -0.040 nan 8.290 nan 0.000 0.483 66 S N -0.421 115.458 115.700 0.300 0.000 2.593 66 S HA 0.291 4.761 4.470 -0.000 0.000 0.217 66 S C 0.934 175.624 174.600 0.149 0.000 0.966 66 S CA 0.073 58.389 58.200 0.195 0.000 0.914 66 S CB -0.258 63.005 63.200 0.107 0.000 0.776 66 S HN 0.349 nan 8.310 nan 0.000 0.523 67 I N 1.319 121.869 120.570 -0.032 0.000 2.337 67 I HA 0.146 4.316 4.170 -0.000 0.000 0.291 67 I C 0.833 176.929 176.117 -0.036 0.000 1.046 67 I CA -0.127 61.003 61.300 -0.283 0.000 1.324 67 I CB 1.442 38.903 38.000 -0.898 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 0.170 0.000 2.922 68 V HA 0.436 4.556 4.120 -0.000 0.000 0.242 68 V C 0.944 177.276 176.094 0.397 0.000 1.094 68 V CA 1.063 63.552 62.300 0.316 0.000 1.106 68 V CB 0.423 32.432 31.823 0.311 0.000 0.799 68 V HN 0.961 nan 8.190 nan 0.000 0.474 69 G N -1.117 107.831 108.800 0.247 0.000 2.348 69 G HA2 0.661 4.621 3.960 -0.000 0.000 0.296 69 G HA3 0.661 4.621 3.960 -0.000 0.000 0.296 69 G C -1.837 173.033 174.900 -0.049 0.000 1.258 69 G CA 0.158 45.246 45.100 -0.020 0.000 0.868 69 G HN 0.659 nan 8.290 nan 0.000 0.488 70 A N -0.620 122.068 122.820 -0.219 0.000 2.549 70 A HA 0.789 5.109 4.320 -0.000 0.000 0.297 70 A C -1.286 176.126 177.584 -0.287 0.000 1.061 70 A CA -0.440 51.499 52.037 -0.163 0.000 0.690 70 A CB 1.540 20.553 19.000 0.022 0.000 1.287 70 A HN 1.202 nan 8.150 nan 0.000 0.402 71 H N 1.226 119.997 119.070 -0.497 0.000 2.466 71 H HA 0.647 5.203 4.556 -0.000 0.000 0.338 71 H C -1.802 173.230 175.328 -0.494 0.000 1.091 71 H CA -0.288 55.528 56.048 -0.387 0.000 1.207 71 H CB 0.911 30.494 29.762 -0.297 0.000 1.466 71 H HN 0.613 nan 8.280 nan 0.000 0.493 72 Y N 2.104 122.188 120.300 -0.361 0.000 2.425 72 Y HA 0.171 4.721 4.550 -0.000 0.000 0.344 72 Y C 0.449 176.180 175.900 -0.282 0.000 0.969 72 Y CA -0.825 57.144 58.100 -0.218 0.000 1.052 72 Y CB 2.142 40.669 38.460 0.111 0.000 1.215 72 Y HN 0.582 nan 8.280 nan 0.000 0.451 73 T N 0.548 115.055 114.554 -0.079 0.000 2.922 73 T HA 0.572 4.922 4.350 -0.000 0.000 0.285 73 T C -0.763 173.978 174.700 0.068 0.000 1.005 73 T CA -0.754 61.343 62.100 -0.005 0.000 1.061 73 T CB 1.399 70.257 68.868 -0.016 0.000 1.007 73 T HN 0.459 nan 8.240 nan 0.000 0.502 74 L N 1.865 123.053 121.223 -0.059 0.000 2.334 74 L HA 0.446 4.786 4.340 -0.000 0.000 0.277 74 L C -0.055 176.715 176.870 -0.167 0.000 1.075 74 L CA -0.032 54.650 54.840 -0.264 0.000 0.804 74 L CB 1.147 42.989 42.059 -0.361 0.000 1.174 74 L HN 0.760 nan 8.230 nan 0.000 0.438 75 Q N 2.357 122.045 119.800 -0.187 0.000 2.297 75 Q HA 0.356 4.696 4.340 -0.000 0.000 0.269 75 Q C 0.919 176.852 176.000 -0.112 0.000 1.051 75 Q CA -0.174 55.563 55.803 -0.110 0.000 0.869 75 Q CB 1.457 30.149 28.738 -0.077 0.000 1.346 75 Q HN 0.899 nan 8.270 nan 0.000 0.457 76 G N 1.646 110.401 108.800 -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 0.884 175.738 174.900 -0.076 0.000 1.156 76 G CA 1.425 46.485 45.100 -0.067 0.000 0.766 76 G HN 0.844 nan 8.290 nan 0.000 0.583 77 N N 0.806 119.460 118.700 -0.077 0.000 2.515 77 N HA 0.131 4.871 4.740 -0.000 0.000 0.191 77 N C 1.557 177.005 175.510 -0.103 0.000 1.182 77 N CA 1.018 54.022 53.050 -0.078 0.000 0.879 77 N CB 0.058 38.507 38.487 -0.064 0.000 0.984 77 N HN 0.583 nan 8.380 nan 0.000 0.453 78 G N 0.420 109.136 108.800 -0.140 0.000 2.176 78 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.253 78 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.253 78 G C -0.208 174.539 174.900 -0.254 0.000 0.979 78 G CA -0.192 44.795 45.100 -0.189 0.000 0.641 78 G HN 0.429 nan 8.290 nan 0.000 0.530 79 N N -0.138 118.435 118.700 -0.211 0.000 2.515 79 N HA 0.552 5.292 4.740 -0.000 0.000 0.279 79 N C -0.082 175.271 175.510 -0.262 0.000 1.164 79 N CA -0.250 52.680 53.050 -0.199 0.000 0.982 79 N CB 0.441 38.867 38.487 -0.102 0.000 1.170 79 N HN 0.231 nan 8.380 nan 0.000 0.474 80 Y N 0.282 120.515 120.300 -0.112 0.000 2.301 80 Y HA 0.240 4.790 4.550 -0.000 0.000 0.328 80 Y C 1.007 176.939 175.900 0.054 0.000 1.242 80 Y CA 0.095 58.177 58.100 -0.029 0.000 1.323 80 Y CB 1.019 39.437 38.460 -0.072 0.000 1.266 80 Y HN 0.195 nan 8.280 nan 0.000 0.527 81 K N 3.311 123.898 120.400 0.312 0.000 2.507 81 K HA 0.253 4.573 4.320 -0.000 0.000 0.252 81 K C -1.429 175.377 176.600 0.344 0.000 0.943 81 K CA -0.800 55.648 56.287 0.268 0.000 0.808 81 K CB 0.890 33.462 32.500 0.121 0.000 1.142 81 K HN 0.560 nan 8.250 nan 0.000 0.426 82 F N 3.830 123.926 119.950 0.242 0.000 2.607 82 F HA -0.032 4.495 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 0.699 58.692 58.000 -0.011 0.000 1.296 82 F CB 0.797 39.816 39.000 0.032 0.000 1.085 82 F HN 0.818 nan 8.300 nan 0.000 0.584 83 D N 2.310 122.116 120.400 -0.990 0.000 2.805 83 D HA 0.108 4.748 4.640 -0.000 0.000 0.271 83 D C -0.618 175.000 176.300 -1.137 0.000 1.166 83 D CA 0.920 54.459 54.000 -0.768 0.000 1.004 83 D CB 0.221 40.759 40.800 -0.437 0.000 1.136 83 D HN 0.676 nan 8.370 nan 0.000 0.444 84 Q N -0.879 118.153 119.800 -1.279 0.000 2.578 84 Q HA 0.322 4.662 4.340 -0.000 0.000 0.284 84 Q C -1.094 174.641 176.000 -0.442 0.000 0.960 84 Q CA -1.036 54.279 55.803 -0.814 0.000 0.809 84 Q CB 1.103 29.640 28.738 -0.335 0.000 1.462 84 Q HN -0.046 nan 8.270 nan 0.000 0.392 85 M N 1.800 121.388 119.600 -0.019 0.000 2.243 85 M HA 0.356 4.836 4.480 -0.000 0.000 0.341 85 M C -0.521 175.649 176.300 -0.216 0.000 1.130 85 M CA -0.019 55.294 55.300 0.020 0.000 1.162 85 M CB 0.014 32.680 32.600 0.110 0.000 1.497 85 M HN 0.615 nan 8.290 nan 0.000 0.456 86 L N 4.692 125.765 121.223 -0.250 0.000 2.272 86 L HA 0.551 4.891 4.340 -0.000 0.000 0.289 86 L C -0.444 176.418 176.870 -0.013 0.000 1.032 86 L CA -0.372 54.189 54.840 -0.465 0.000 0.810 86 L CB 0.654 42.482 42.059 -0.385 0.000 1.205 86 L HN 0.562 nan 8.230 nan 0.000 0.422 87 L N 1.288 122.651 121.223 0.232 0.000 2.279 87 L HA 0.568 4.908 4.340 -0.000 0.000 0.262 87 L C 0.526 177.600 176.870 0.342 0.000 1.019 87 L CA -0.799 54.207 54.840 0.276 0.000 0.823 87 L CB 1.925 44.120 42.059 0.226 0.000 1.358 87 L HN 0.385 nan 8.230 nan 0.000 0.432 88 T N 0.271 114.973 114.554 0.246 0.000 2.903 88 T HA 0.088 4.438 4.350 -0.000 0.000 0.314 88 T C 1.140 175.932 174.700 0.154 0.000 1.078 88 T CA 0.518 62.747 62.100 0.214 0.000 1.114 88 T CB 1.396 70.387 68.868 0.206 0.000 0.987 88 T HN 0.728 nan 8.240 nan 0.000 0.548 89 A N 2.665 125.552 122.820 0.112 0.000 1.908 89 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 89 A C 1.031 178.652 177.584 0.062 0.000 1.181 89 A CA 1.459 53.529 52.037 0.056 0.000 0.627 89 A CB -0.367 18.658 19.000 0.041 0.000 0.818 89 A HN 0.851 nan 8.150 nan 0.000 0.445 90 Q N -1.522 118.326 119.800 0.080 0.000 2.433 90 Q HA 0.491 4.831 4.340 -0.000 0.000 0.279 90 Q C -1.215 174.830 176.000 0.076 0.000 1.105 90 Q CA -0.980 54.866 55.803 0.072 0.000 0.815 90 Q CB 0.783 29.562 28.738 0.069 0.000 1.403 90 Q HN 0.137 nan 8.270 nan 0.000 0.435 91 N N 1.604 120.343 118.700 0.065 0.000 2.415 91 N HA 0.131 4.871 4.740 -0.000 0.000 0.250 91 N C 0.486 176.033 175.510 0.061 0.000 1.127 91 N CA -0.010 53.076 53.050 0.060 0.000 0.945 91 N CB 0.312 38.828 38.487 0.049 0.000 1.196 91 N HN 0.766 nan 8.380 nan 0.000 0.499 92 L N 4.475 125.730 121.223 0.053 0.000 2.043 92 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 92 L C -0.664 176.274 176.870 0.112 0.000 1.075 92 L CA 1.274 56.166 54.840 0.088 0.000 0.752 92 L CB -1.072 40.931 42.059 -0.093 0.000 0.891 92 L HN 0.519 nan 8.230 nan 0.000 0.432 93 P HA -0.131 nan 4.420 nan 0.000 0.228 93 P C 1.090 178.392 177.300 0.003 0.000 1.151 93 P CA 1.275 64.389 63.100 0.023 0.000 0.770 93 P CB -0.021 31.685 31.700 0.010 0.000 0.786 94 A N -1.294 121.529 122.820 0.005 0.000 2.119 94 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 94 A C 2.010 179.548 177.584 -0.077 0.000 1.152 94 A CA 1.532 53.555 52.037 -0.024 0.000 0.708 94 A CB -0.551 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 -2.777 112.852 115.700 -0.118 0.000 2.631 95 S HA 0.339 4.809 4.470 -0.000 0.000 0.246 95 S C -0.412 173.832 174.600 -0.593 0.000 1.068 95 S CA -0.240 57.738 58.200 -0.369 0.000 0.995 95 S CB 0.148 63.056 63.200 -0.486 0.000 0.944 95 S HN 0.497 nan 8.310 nan 0.000 0.529 96 Y N 1.030 121.317 120.300 -0.022 0.000 2.536 96 Y HA 0.522 5.072 4.550 -0.000 0.000 0.347 96 Y C 0.714 176.587 175.900 -0.046 0.000 1.000 96 Y CA -1.074 57.020 58.100 -0.010 0.000 1.051 96 Y CB 1.050 39.508 38.460 -0.003 0.000 1.259 96 Y HN -0.148 nan 8.280 nan 0.000 0.468 97 N N -0.042 118.727 118.700 0.116 0.000 2.407 97 N HA 0.086 4.826 4.740 -0.000 0.000 0.182 97 N C -1.160 174.149 175.510 -0.334 0.000 1.079 97 N CA 0.521 53.495 53.050 -0.126 0.000 0.882 97 N CB 0.453 38.859 38.487 -0.134 0.000 1.106 97 N HN 0.532 nan 8.380 nan 0.000 0.461 98 Y N -1.028 119.349 120.300 0.128 0.000 2.545 98 Y HA 0.547 5.097 4.550 -0.000 0.000 0.348 98 Y C -0.166 175.862 175.900 0.214 0.000 1.002 98 Y CA -1.154 57.041 58.100 0.159 0.000 1.039 98 Y CB 2.217 40.781 38.460 0.173 0.000 1.271 98 Y HN -0.108 nan 8.280 nan 0.000 0.467 99 C N 2.431 121.943 119.300 0.352 0.000 3.284 99 C HA 0.847 5.307 4.460 -0.000 0.000 0.338 99 C C -1.805 173.162 174.990 -0.038 0.000 1.237 99 C CA -0.716 58.384 59.018 0.136 0.000 1.276 99 C CB 1.821 29.552 27.740 -0.016 0.000 1.601 99 C HN 1.031 nan 8.230 nan 0.000 0.494 100 R N 2.657 123.115 120.500 -0.070 0.000 2.548 100 R HA 0.661 5.001 4.340 -0.000 0.000 0.280 100 R C -1.752 174.600 176.300 0.087 0.000 1.061 100 R CA -0.647 55.374 56.100 -0.131 0.000 0.915 100 R CB 1.682 31.648 30.300 -0.556 0.000 1.210 100 R HN 0.818 nan 8.270 nan 0.000 0.442 101 L N 4.692 125.987 121.223 0.121 0.000 2.319 101 L HA 0.231 4.571 4.340 -0.000 0.000 0.280 101 L C 0.145 177.036 176.870 0.035 0.000 1.099 101 L CA 0.386 55.254 54.840 0.047 0.000 0.828 101 L CB 1.613 43.712 42.059 0.067 0.000 1.150 101 L HN 0.635 nan 8.230 nan 0.000 0.442 102 V N 2.547 122.439 119.914 -0.035 0.000 2.492 102 V HA 0.256 4.376 4.120 -0.000 0.000 0.241 102 V C 0.565 176.719 176.094 0.100 0.000 1.041 102 V CA 1.133 63.498 62.300 0.108 0.000 1.057 102 V CB 0.038 31.918 31.823 0.096 0.000 0.711 102 V HN 0.941 nan 8.190 nan 0.000 0.468 103 S N -0.300 115.365 115.700 -0.059 0.000 2.597 103 S HA 0.717 5.187 4.470 -0.000 0.000 0.274 103 S C -0.945 173.575 174.600 -0.134 0.000 1.132 103 S CA -0.915 57.241 58.200 -0.074 0.000 0.835 103 S CB 2.624 65.764 63.200 -0.100 0.000 1.092 103 S HN 0.485 nan 8.310 nan 0.000 0.457 104 R N 0.445 120.884 120.500 -0.102 0.000 2.579 104 R HA 0.670 5.010 4.340 -0.000 0.000 0.260 104 R C -1.687 174.543 176.300 -0.117 0.000 1.103 104 R CA 0.001 56.032 56.100 -0.114 0.000 0.942 104 R CB 1.709 31.949 30.300 -0.100 0.000 1.251 104 R HN 1.306 nan 8.270 nan 0.000 0.450 105 S N 3.974 119.593 115.700 -0.134 0.000 2.549 105 S HA 0.769 5.239 4.470 -0.000 0.000 0.280 105 S C -1.195 173.279 174.600 -0.211 0.000 1.109 105 S CA -0.813 57.270 58.200 -0.195 0.000 0.905 105 S CB 1.750 64.820 63.200 -0.217 0.000 1.081 105 S HN 0.432 nan 8.310 nan 0.000 0.477 106 L N 1.932 122.981 121.223 -0.291 0.000 2.422 106 L HA 0.723 5.063 4.340 -0.000 0.000 0.264 106 L C -0.167 176.569 176.870 -0.223 0.000 0.984 106 L CA -0.570 54.097 54.840 -0.287 0.000 0.819 106 L CB 2.830 44.541 42.059 -0.579 0.000 1.330 106 L HN 1.004 nan 8.230 nan 0.000 0.410 107 T N -0.666 113.821 114.554 -0.111 0.000 2.888 107 T HA 0.814 5.164 4.350 -0.000 0.000 0.284 107 T C -0.652 174.060 174.700 0.020 0.000 1.017 107 T CA -0.814 61.254 62.100 -0.054 0.000 1.022 107 T CB 1.912 70.760 68.868 -0.033 0.000 1.013 107 T HN 0.210 nan 8.240 nan 0.000 0.465 108 V N 3.641 123.585 119.914 0.049 0.000 2.482 108 V HA 0.726 4.846 4.120 -0.000 0.000 0.295 108 V C -0.111 176.009 176.094 0.043 0.000 1.026 108 V CA -0.894 61.452 62.300 0.077 0.000 0.856 108 V CB 1.130 33.044 31.823 0.152 0.000 1.001 108 V HN 1.156 nan 8.190 nan 0.000 0.424 109 R N 2.390 122.896 120.500 0.011 0.000 2.739 109 R HA 0.752 5.092 4.340 -0.000 0.000 0.271 109 R C -0.717 175.563 176.300 -0.033 0.000 1.010 109 R CA -0.611 55.489 56.100 0.001 0.000 0.897 109 R CB 1.962 32.270 30.300 0.014 0.000 1.236 109 R HN 0.594 nan 8.270 nan 0.000 0.466 110 S N 0.259 115.939 115.700 -0.035 0.000 2.537 110 S HA 0.218 4.688 4.470 -0.000 0.000 0.275 110 S C 0.527 175.111 174.600 -0.027 0.000 1.272 110 S CA -0.069 58.101 58.200 -0.050 0.000 1.050 110 S CB 1.556 64.727 63.200 -0.048 0.000 0.961 110 S HN 0.782 nan 8.310 nan 0.000 0.496 111 S N 2.582 118.264 115.700 -0.030 0.000 2.641 111 S HA 0.237 4.707 4.470 -0.000 0.000 0.239 111 S C 0.609 175.200 174.600 -0.014 0.000 1.081 111 S CA -0.053 58.137 58.200 -0.017 0.000 0.904 111 S CB -0.435 62.755 63.200 -0.017 0.000 0.803 111 S HN 0.730 nan 8.310 nan 0.000 0.510 112 T N 2.926 117.469 114.554 -0.019 0.000 2.940 112 T HA 0.795 5.145 4.350 -0.000 0.000 0.288 112 T C -1.084 173.609 174.700 -0.012 0.000 1.045 112 T CA -0.770 61.322 62.100 -0.013 0.000 1.018 112 T CB 1.656 70.517 68.868 -0.012 0.000 1.151 112 T HN 0.450 nan 8.240 nan 0.000 0.529 113 L N -0.654 120.565 121.223 -0.006 0.000 2.434 113 L HA 0.816 5.155 4.340 -0.000 0.000 0.260 113 L C -2.553 174.316 176.870 -0.001 0.000 0.983 113 L CA -1.850 52.988 54.840 -0.003 0.000 0.820 113 L CB -0.213 41.846 42.059 -0.001 0.000 1.361 113 L HN 0.364 nan 8.230 nan 0.000 0.410 121 N N 1.234 119.945 118.700 0.018 0.000 2.626 121 N HA 0.567 5.307 4.740 -0.000 0.000 0.249 121 N C 0.373 175.902 175.510 0.032 0.000 1.021 121 N CA 0.703 53.765 53.050 0.020 0.000 0.886 121 N CB 1.382 39.876 38.487 0.012 0.000 1.149 121 N HN 0.450 nan 8.380 nan 0.000 0.517 122 G N 1.430 110.248 108.800 0.030 0.000 2.581 122 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.289 122 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.289 122 G C -0.134 174.806 174.900 0.066 0.000 1.303 122 G CA 0.546 45.667 45.100 0.034 0.000 0.931 122 G HN 0.781 nan 8.290 nan 0.000 0.555 123 T N -3.005 111.605 114.554 0.093 0.000 2.841 123 T HA 0.729 5.079 4.350 -0.000 0.000 0.296 123 T C -0.434 174.454 174.700 0.312 0.000 1.166 123 T CA -0.617 61.587 62.100 0.172 0.000 1.007 123 T CB 2.113 71.094 68.868 0.187 0.000 1.253 123 T HN 1.072 nan 8.240 nan 0.000 0.511 124 I N 1.698 122.462 120.570 0.325 0.000 2.533 124 I HA 0.452 4.622 4.170 -0.000 0.000 0.290 124 I C -1.035 175.185 176.117 0.173 0.000 1.056 124 I CA -0.994 60.503 61.300 0.329 0.000 1.057 124 I CB 2.178 40.307 38.000 0.215 0.000 1.240 124 I HN 0.573 nan 8.210 nan 0.000 0.423 125 N N 4.277 122.943 118.700 -0.056 0.000 2.361 125 N HA 0.820 5.560 4.740 -0.000 0.000 0.302 125 N C -1.060 174.367 175.510 -0.139 0.000 1.074 125 N CA -0.451 52.427 53.050 -0.286 0.000 0.850 125 N CB 2.332 40.329 38.487 -0.816 0.000 1.228 125 N HN 0.713 nan 8.380 nan 0.000 0.491 126 A N 0.679 123.447 122.820 -0.086 0.000 2.515 126 A HA 0.792 5.112 4.320 -0.000 0.000 0.298 126 A C -1.175 176.384 177.584 -0.042 0.000 1.059 126 A CA -0.592 51.426 52.037 -0.031 0.000 0.698 126 A CB 1.009 20.026 19.000 0.028 0.000 1.289 126 A HN 0.382 nan 8.150 nan 0.000 0.404 127 V N -1.101 118.801 119.914 -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 -0.723 61.574 62.300 -0.005 0.000 0.990 127 V CB 1.607 33.432 31.823 0.004 0.000 1.039 127 V HN 0.810 nan 8.190 nan 0.000 0.430 128 T N 3.791 118.366 114.554 0.035 0.000 2.758 128 T HA 0.607 4.957 4.350 -0.000 0.000 0.285 128 T C -0.932 173.837 174.700 0.116 0.000 0.981 128 T CA 0.083 62.220 62.100 0.063 0.000 0.965 128 T CB 0.761 69.636 68.868 0.013 0.000 0.927 128 T HN 0.662 nan 8.240 nan 0.000 0.448 129 F N 2.741 122.681 119.950 -0.017 0.000 2.436 129 F HA 0.345 4.872 4.527 -0.000 0.000 0.340 129 F C 0.818 176.619 175.800 0.002 0.000 1.113 129 F CA -0.945 57.048 58.000 -0.012 0.000 1.022 129 F CB 1.459 40.452 39.000 -0.012 0.000 1.128 129 F HN 0.461 nan 8.300 nan 0.000 0.466 130 Q N 4.620 124.039 119.800 -0.635 0.000 2.404 130 Q HA 0.313 4.653 4.340 -0.000 0.000 0.272 130 Q C 0.034 175.616 176.000 -0.697 0.000 0.939 130 Q CA -0.127 55.370 55.803 -0.511 0.000 0.945 130 Q CB 0.015 28.548 28.738 -0.342 0.000 1.195 130 Q HN 0.890 nan 8.270 nan 0.000 0.415 131 G N -0.628 107.651 108.800 -0.869 0.000 2.645 131 G HA2 0.384 4.344 3.960 -0.000 0.000 0.292 131 G HA3 0.384 4.344 3.960 -0.000 0.000 0.292 131 G C -0.897 174.094 174.900 0.153 0.000 1.415 131 G CA -0.644 44.215 45.100 -0.402 0.000 0.785 131 G HN 0.208 nan 8.290 nan 0.000 0.483 132 S N -0.633 115.235 115.700 0.280 0.000 2.669 132 S HA 0.378 4.848 4.470 -0.000 0.000 0.270 132 S C 1.430 176.246 174.600 0.359 0.000 1.225 132 S CA -0.427 57.961 58.200 0.313 0.000 0.991 132 S CB 1.490 64.835 63.200 0.241 0.000 0.987 132 S HN 0.896 nan 8.310 nan 0.000 0.552 133 L N 1.741 123.126 121.223 0.270 0.000 2.021 133 L HA -0.147 4.193 4.340 -0.000 0.000 0.215 133 L C 2.547 179.479 176.870 0.104 0.000 1.074 133 L CA 2.711 57.630 54.840 0.131 0.000 0.760 133 L CB -1.495 40.617 42.059 0.089 0.000 0.889 133 L HN 0.991 nan 8.230 nan 0.000 0.433 134 S N -1.921 113.868 115.700 0.150 0.000 2.507 134 S HA -0.116 4.354 4.470 -0.000 0.000 0.235 134 S C 1.600 176.261 174.600 0.103 0.000 0.988 134 S CA 0.949 59.223 58.200 0.123 0.000 0.944 134 S CB -0.615 62.644 63.200 0.098 0.000 0.762 134 S HN 0.678 nan 8.310 nan 0.000 0.526 135 E N 0.437 120.734 120.200 0.161 0.000 2.371 135 E HA 0.211 4.561 4.350 -0.000 0.000 0.194 135 E C -0.154 176.477 176.600 0.051 0.000 1.012 135 E CA -0.141 56.383 56.400 0.206 0.000 0.860 135 E CB -0.089 29.848 29.700 0.396 0.000 0.811 135 E HN 0.523 nan 8.360 nan 0.000 0.502 136 L N 1.988 123.051 121.223 -0.267 0.000 2.513 136 L HA -0.042 4.298 4.340 -0.000 0.000 0.272 136 L C 1.773 178.517 176.870 -0.210 0.000 1.187 136 L CA 0.123 54.634 54.840 -0.549 0.000 0.895 136 L CB 0.732 42.432 42.059 -0.599 0.000 1.147 136 L HN 0.169 nan 8.230 nan 0.000 0.483 137 T N -1.876 112.581 114.554 -0.162 0.000 2.985 137 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 137 T C 0.434 175.093 174.700 -0.068 0.000 1.076 137 T CA 0.322 62.380 62.100 -0.071 0.000 1.135 137 T CB 0.121 68.970 68.868 -0.032 0.000 0.890 137 T HN 0.511 nan 8.240 nan 0.000 0.480 138 D N 0.793 121.136 120.400 -0.094 0.000 2.736 138 D HA 0.311 4.951 4.640 -0.000 0.000 0.243 138 D C 0.253 176.516 176.300 -0.063 0.000 1.304 138 D CA -0.691 53.275 54.000 -0.057 0.000 0.934 138 D CB 2.239 43.015 40.800 -0.041 0.000 1.382 138 D HN 0.098 nan 8.370 nan 0.000 0.571 139 V N 1.412 121.322 119.914 -0.006 0.000 3.319 139 V HA 0.299 4.419 4.120 -0.000 0.000 0.317 139 V C 0.775 176.941 176.094 0.120 0.000 1.411 139 V CA -0.035 62.279 62.300 0.023 0.000 1.112 139 V CB -0.493 31.377 31.823 0.078 0.000 1.031 139 V HN 0.453 nan 8.190 nan 0.000 0.448 140 S N -0.690 115.075 115.700 0.108 0.000 2.584 140 S HA 0.243 4.713 4.470 -0.000 0.000 0.270 140 S C 0.871 175.548 174.600 0.129 0.000 1.346 140 S CA 0.257 58.542 58.200 0.142 0.000 1.018 140 S CB 0.608 63.858 63.200 0.082 0.000 0.899 140 S HN 0.475 nan 8.310 nan 0.000 0.542 141 Y N 2.775 123.101 120.300 0.044 0.000 2.062 141 Y HA -0.323 4.227 4.550 -0.000 0.000 0.276 141 Y C 2.104 178.013 175.900 0.015 0.000 1.189 141 Y CA 2.731 60.845 58.100 0.023 0.000 1.130 141 Y CB -0.528 37.936 38.460 0.006 0.000 0.959 141 Y HN 0.724 nan 8.280 nan 0.000 0.499 142 N N -0.237 118.549 118.700 0.143 0.000 2.216 142 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 142 N C 2.029 177.525 175.510 -0.024 0.000 1.017 142 N CA 1.294 54.372 53.050 0.047 0.000 0.861 142 N CB -0.998 37.552 38.487 0.105 0.000 0.986 142 N HN 0.547 nan 8.380 nan 0.000 0.428 143 G N 1.726 110.523 108.800 -0.006 0.000 2.422 143 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.218 143 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.218 143 G C 1.662 176.531 174.900 -0.052 0.000 1.140 143 G CA 0.166 45.252 45.100 -0.022 0.000 0.775 143 G HN 0.199 nan 8.290 nan 0.000 0.545 144 L N 0.142 121.319 121.223 -0.077 0.000 2.064 144 L HA -0.199 4.141 4.340 -0.000 0.000 0.216 144 L C 2.938 179.760 176.870 -0.081 0.000 1.077 144 L CA 1.177 55.958 54.840 -0.098 0.000 0.766 144 L CB -0.444 41.533 42.059 -0.137 0.000 0.890 144 L HN 0.215 nan 8.230 nan 0.000 0.435 145 M N -0.609 118.937 119.600 -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 -0.038 0.000 1.067 145 M CA 1.284 56.542 55.300 -0.070 0.000 1.071 145 M CB -0.958 31.598 32.600 -0.074 0.000 1.405 145 M HN 0.297 nan 8.290 nan 0.000 0.478 146 S N -1.124 114.559 115.700 -0.027 0.000 2.593 146 S HA 0.416 4.886 4.470 -0.000 0.000 0.236 146 S C 1.637 176.248 174.600 0.018 0.000 0.991 146 S CA 0.179 58.375 58.200 -0.007 0.000 0.963 146 S CB 0.026 63.223 63.200 -0.006 0.000 0.865 146 S HN 0.395 nan 8.310 nan 0.000 0.488 147 A N 1.909 124.744 122.820 0.025 0.000 2.067 147 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 147 A C 1.206 178.910 177.584 0.200 0.000 1.158 147 A CA 1.003 53.102 52.037 0.105 0.000 0.661 147 A CB -0.418 18.617 19.000 0.058 0.000 0.801 147 A HN 0.509 nan 8.150 nan 0.000 0.452 148 T N -3.743 110.870 114.554 0.099 0.000 2.906 148 T HA 0.627 4.977 4.350 -0.000 0.000 0.295 148 T C 0.657 175.366 174.700 0.015 0.000 1.075 148 T CA -0.135 61.998 62.100 0.055 0.000 1.005 148 T CB 1.874 70.754 68.868 0.020 0.000 1.136 148 T HN 0.302 nan 8.240 nan 0.000 0.498 149 A N 0.740 123.559 122.820 -0.002 0.000 2.132 149 A HA 0.214 4.534 4.320 -0.000 0.000 0.213 149 A C 0.715 178.281 177.584 -0.031 0.000 1.154 149 A CA -0.056 51.972 52.037 -0.015 0.000 0.753 149 A CB -0.723 18.268 19.000 -0.015 0.000 0.826 149 A HN 0.845 nan 8.150 nan 0.000 0.469 150 N N 0.483 119.159 118.700 -0.039 0.000 2.416 150 N HA 0.163 4.903 4.740 -0.000 0.000 0.265 150 N C 0.664 176.131 175.510 -0.073 0.000 1.195 150 N CA -0.396 52.619 53.050 -0.058 0.000 0.943 150 N CB 0.874 39.321 38.487 -0.067 0.000 1.115 150 N HN 0.255 nan 8.380 nan 0.000 0.481 151 I N 2.831 123.354 120.570 -0.079 0.000 2.454 151 I HA -0.213 3.957 4.170 -0.000 0.000 0.254 151 I C 1.069 177.104 176.117 -0.136 0.000 1.156 151 I CA 1.375 62.619 61.300 -0.093 0.000 1.433 151 I CB -0.090 37.860 38.000 -0.084 0.000 1.082 151 I HN 0.546 nan 8.210 nan 0.000 0.432 152 N N 0.457 119.061 118.700 -0.161 0.000 2.314 152 N HA 0.011 4.750 4.740 -0.000 0.000 0.200 152 N C 0.201 175.571 175.510 -0.232 0.000 1.135 152 N CA 0.381 53.287 53.050 -0.240 0.000 0.835 152 N CB 0.042 38.373 38.487 -0.260 0.000 0.989 152 N HN 0.413 nan 8.380 nan 0.000 0.478 153 D N 0.325 120.631 120.400 -0.156 0.000 2.479 153 D HA 0.077 4.717 4.640 -0.000 0.000 0.218 153 D C 0.091 176.338 176.300 -0.089 0.000 1.177 153 D CA 0.212 54.142 54.000 -0.117 0.000 0.830 153 D CB 0.879 41.633 40.800 -0.078 0.000 1.014 153 D HN 0.395 nan 8.370 nan 0.000 0.503 154 K N -0.060 120.276 120.400 -0.107 0.000 2.502 154 K HA 0.659 4.979 4.320 -0.000 0.000 0.257 154 K C -1.430 175.111 176.600 -0.098 0.000 0.938 154 K CA -0.892 55.345 56.287 -0.084 0.000 0.819 154 K CB 2.659 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 0.685 121.209 120.570 -0.077 0.000 2.656 155 I HA 0.531 4.701 4.170 -0.000 0.000 0.292 155 I C -1.211 174.877 176.117 -0.049 0.000 1.144 155 I CA -0.097 61.167 61.300 -0.061 0.000 1.038 155 I CB 2.464 40.437 38.000 -0.045 0.000 1.244 155 I HN 0.873 nan 8.210 nan 0.000 0.420 156 G N 4.210 112.991 108.800 -0.032 0.000 2.530 156 G HA2 0.423 4.383 3.960 -0.000 0.000 0.316 156 G HA3 0.423 4.383 3.960 -0.000 0.000 0.316 156 G C -0.515 174.401 174.900 0.027 0.000 1.298 156 G CA -0.462 44.622 45.100 -0.027 0.000 0.948 156 G HN 0.676 nan 8.290 nan 0.000 0.486 157 N N -0.205 118.537 118.700 0.070 0.000 2.738 157 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 157 N C 0.325 175.900 175.510 0.110 0.000 1.047 157 N CA 0.666 53.799 53.050 0.140 0.000 0.707 157 N CB -1.067 37.496 38.487 0.127 0.000 0.937 157 N HN 0.417 nan 8.380 nan 0.000 0.545 158 V N 1.140 121.118 119.914 0.106 0.000 2.614 158 V HA 0.103 4.223 4.120 -0.000 0.000 0.291 158 V C 1.461 177.619 176.094 0.108 0.000 1.049 158 V CA -0.505 61.853 62.300 0.097 0.000 1.038 158 V CB 0.988 32.868 31.823 0.095 0.000 0.980 158 V HN 0.172 nan 8.190 nan 0.000 0.481 159 L N 4.756 126.031 121.223 0.087 0.000 2.490 159 L HA 0.057 4.397 4.340 -0.000 0.000 0.274 159 L C 1.459 178.375 176.870 0.077 0.000 1.201 159 L CA -0.036 54.850 54.840 0.077 0.000 0.869 159 L CB 0.591 42.686 42.059 0.059 0.000 1.123 159 L HN 0.500 nan 8.230 nan 0.000 0.484 160 V N 3.417 123.376 119.914 0.074 0.000 2.407 160 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 160 V C 2.268 178.384 176.094 0.035 0.000 1.055 160 V CA 2.157 64.493 62.300 0.059 0.000 1.049 160 V CB -0.715 31.136 31.823 0.046 0.000 0.662 160 V HN 1.115 nan 8.190 nan 0.000 0.455 161 G N -0.681 108.139 108.800 0.033 0.000 2.422 161 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 161 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 161 G C 1.554 176.473 174.900 0.031 0.000 1.146 161 G CA 0.976 46.091 45.100 0.025 0.000 0.769 161 G HN 0.575 nan 8.290 nan 0.000 0.547 162 E N 0.110 120.336 120.200 0.043 0.000 2.051 162 E HA 0.271 4.621 4.350 -0.000 0.000 0.189 162 E C 1.343 177.976 176.600 0.056 0.000 0.979 162 E CA 0.796 57.227 56.400 0.051 0.000 0.803 162 E CB -0.113 29.622 29.700 0.060 0.000 0.761 162 E HN 0.475 nan 8.360 nan 0.000 0.451 163 G N -0.090 108.747 108.800 0.063 0.000 2.710 163 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.668 163 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.668 163 G C -0.963 173.985 174.900 0.081 0.000 1.320 163 G CA -0.314 44.825 45.100 0.065 0.000 0.860 163 G HN 0.288 nan 8.290 nan 0.000 0.538 164 V N 0.201 120.163 119.914 0.079 0.000 2.769 164 V HA 0.828 4.948 4.120 -0.000 0.000 0.312 164 V C 0.327 176.448 176.094 0.045 0.000 1.061 164 V CA -0.103 62.250 62.300 0.089 0.000 0.931 164 V CB 2.371 34.257 31.823 0.104 0.000 1.010 164 V HN 1.170 nan 8.190 nan 0.000 0.433 165 T N 3.636 118.212 114.554 0.036 0.000 2.792 165 T HA 0.523 4.873 4.350 -0.000 0.000 0.280 165 T C -0.587 174.079 174.700 -0.057 0.000 0.990 165 T CA -0.310 61.719 62.100 -0.120 0.000 0.960 165 T CB 1.458 70.080 68.868 -0.411 0.000 0.939 165 T HN 0.340 nan 8.240 nan 0.000 0.439 166 V N 4.739 124.561 119.914 -0.153 0.000 2.383 166 V HA 0.483 4.603 4.120 -0.000 0.000 0.275 166 V C -0.357 175.631 176.094 -0.177 0.000 1.036 166 V CA -0.744 61.475 62.300 -0.134 0.000 0.889 166 V CB 1.223 32.883 31.823 -0.272 0.000 0.985 166 V HN 0.650 nan 8.190 nan 0.000 0.459 167 L N 4.920 126.113 121.223 -0.050 0.000 2.333 167 L HA 0.590 4.930 4.340 -0.000 0.000 0.280 167 L C 0.227 177.089 176.870 -0.014 0.000 1.004 167 L CA 0.239 55.052 54.840 -0.045 0.000 0.820 167 L CB 2.044 44.162 42.059 0.099 0.000 1.247 167 L HN 0.632 nan 8.230 nan 0.000 0.416 168 S N 5.993 121.670 115.700 -0.038 0.000 2.448 168 S HA 0.537 5.007 4.470 -0.000 0.000 0.279 168 S C -0.408 174.192 174.600 0.001 0.000 1.195 168 S CA -0.524 57.666 58.200 -0.017 0.000 1.051 168 S CB -0.302 62.887 63.200 -0.019 0.000 0.948 168 S HN 0.605 nan 8.310 nan 0.000 0.493 169 L N 6.473 127.695 121.223 -0.002 0.000 2.331 169 L HA 0.569 4.909 4.340 -0.000 0.000 0.275 169 L C -1.749 175.095 176.870 -0.043 0.000 1.022 169 L CA -2.355 52.480 54.840 -0.007 0.000 0.812 169 L CB 1.487 43.536 42.059 -0.015 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 -0.239 0.000 1.218 170 P CA -0.209 62.751 63.100 -0.233 0.000 0.780 170 P CB 0.684 32.050 31.700 -0.557 0.000 0.901 171 T N -2.132 112.271 114.554 -0.251 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 -0.275 0.000 1.656 171 T CA -0.681 61.289 62.100 -0.216 0.000 1.453 171 T CB -0.785 67.996 68.868 -0.145 0.000 1.066 171 T HN 0.626 nan 8.240 nan 0.000 0.655 172 S N 1.320 116.816 115.700 -0.340 0.000 2.912 172 S HA -0.102 4.368 4.470 -0.000 0.000 0.857 172 S C -0.781 173.563 174.600 -0.428 0.000 0.919 172 S CA -0.677 57.337 58.200 -0.311 0.000 1.424 172 S CB -1.023 62.045 63.200 -0.220 0.000 1.019 172 S HN 0.720 nan 8.310 nan 0.000 0.231 173 Y N 2.079 122.346 120.300 -0.055 0.000 2.719 173 Y HA 0.462 5.012 4.550 -0.000 0.000 0.335 173 Y C 1.320 177.182 175.900 -0.064 0.000 1.198 173 Y CA -0.257 57.807 58.100 -0.060 0.000 1.274 173 Y CB 0.430 38.856 38.460 -0.057 0.000 1.500 173 Y HN 0.771 nan 8.280 nan 0.000 0.616 174 D N 0.765 121.258 120.400 0.155 0.000 2.737 174 D HA -0.186 4.454 4.640 -0.000 0.000 0.233 174 D C -1.061 175.266 176.300 0.044 0.000 1.155 174 D CA 0.759 54.801 54.000 0.070 0.000 0.667 174 D CB -1.107 39.724 40.800 0.051 0.000 1.060 174 D HN 0.267 nan 8.370 nan 0.000 0.427 175 L N -0.114 121.131 121.223 0.036 0.000 2.417 175 L HA 0.403 4.743 4.340 -0.000 0.000 0.268 175 L C 1.827 178.776 176.870 0.131 0.000 1.158 175 L CA -0.139 54.711 54.840 0.016 0.000 0.819 175 L CB 0.847 42.858 42.059 -0.080 0.000 1.112 175 L HN 0.034 nan 8.230 nan 0.000 0.458 176 G N 0.581 109.526 108.800 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 -0.869 174.190 174.900 0.265 0.000 1.206 176 G CA -0.337 44.923 45.100 0.267 0.000 0.861 176 G HN 0.342 nan 8.290 nan 0.000 0.561 177 Y N -0.490 119.876 120.300 0.110 0.000 2.511 177 Y HA 0.231 4.781 4.550 -0.000 0.000 0.332 177 Y C 0.893 176.851 175.900 0.098 0.000 1.177 177 Y CA 0.221 58.384 58.100 0.105 0.000 1.422 177 Y CB 1.035 39.533 38.460 0.064 0.000 1.271 177 Y HN 0.149 nan 8.280 nan 0.000 0.550 178 V N 5.363 125.317 119.914 0.067 0.000 2.427 178 V HA 0.313 4.433 4.120 -0.000 0.000 0.286 178 V C 0.141 176.238 176.094 0.005 0.000 1.034 178 V CA -1.205 61.007 62.300 -0.146 0.000 0.893 178 V CB 1.366 32.868 31.823 -0.534 0.000 0.982 178 V HN 0.635 nan 8.190 nan 0.000 0.452 179 R N 3.843 124.306 120.500 -0.063 0.000 2.401 179 R HA 0.356 4.696 4.340 -0.000 0.000 0.299 179 R C -0.423 175.745 176.300 -0.221 0.000 1.064 179 R CA -0.307 55.606 56.100 -0.312 0.000 1.000 179 R CB 0.288 30.369 30.300 -0.364 0.000 0.973 179 R HN 0.621 nan 8.270 nan 0.000 0.438 180 L N 2.129 123.224 121.223 -0.213 0.000 2.479 180 L HA 0.238 4.578 4.340 -0.000 0.000 0.248 180 L C 1.493 178.307 176.870 -0.094 0.000 1.205 180 L CA -0.100 54.672 54.840 -0.112 0.000 0.817 180 L CB 0.547 42.565 42.059 -0.068 0.000 1.162 180 L HN 0.802 nan 8.230 nan 0.000 0.486 181 G N 0.213 108.994 108.800 -0.032 0.000 3.455 181 G HA2 0.041 4.001 3.960 -0.000 0.000 0.250 181 G HA3 0.041 4.001 3.960 -0.000 0.000 0.250 181 G C -0.062 174.816 174.900 -0.036 0.000 1.071 181 G CA -0.404 44.679 45.100 -0.027 0.000 1.812 181 G HN 0.707 nan 8.290 nan 0.000 0.643 182 D N 1.132 121.492 120.400 -0.067 0.000 2.382 182 D HA 0.136 4.776 4.640 -0.000 0.000 0.245 182 D C -2.471 173.800 176.300 -0.049 0.000 1.120 182 D CA -1.552 52.413 54.000 -0.058 0.000 0.890 182 D CB 1.887 42.638 40.800 -0.082 0.000 1.201 182 D HN 0.071 nan 8.370 nan 0.000 0.433 183 P HA 0.152 nan 4.420 nan 0.000 0.268 183 P C -0.449 176.831 177.300 -0.033 0.000 1.205 183 P CA -0.410 62.673 63.100 -0.028 0.000 0.771 183 P CB 0.834 32.521 31.700 -0.021 0.000 0.858 184 I N 5.025 125.578 120.570 -0.028 0.000 2.562 184 I HA 0.408 4.578 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 -3.104 58.180 61.300 -0.027 0.000 1.127 184 I CB 1.246 39.229 38.000 -0.028 0.000 1.304 184 I HN 0.210 nan 8.210 nan 0.000 0.446 185 P HA 0.440 nan 4.420 nan 0.000 0.267 185 P C -1.553 175.741 177.300 -0.011 0.000 1.209 185 P CA -0.159 62.933 63.100 -0.014 0.000 0.763 185 P CB 0.486 32.179 31.700 -0.012 0.000 0.816 186 A N 3.441 126.255 122.820 -0.010 0.000 2.566 186 A HA 0.692 5.012 4.320 -0.000 0.000 0.297 186 A C -0.803 176.777 177.584 -0.007 0.000 1.059 186 A CA -0.692 51.340 52.037 -0.008 0.000 0.691 186 A CB 0.974 19.969 19.000 -0.009 0.000 1.282 186 A HN 0.567 nan 8.150 nan 0.000 0.401 187 I N -0.540 120.026 120.570 -0.006 0.000 2.646 187 I HA 1.007 5.177 4.170 -0.000 0.000 0.299 187 I C 0.117 176.231 176.117 -0.004 0.000 1.036 187 I CA -0.868 60.429 61.300 -0.005 0.000 1.074 187 I CB 2.439 40.437 38.000 -0.004 0.000 1.258 187 I HN 0.975 nan 8.210 nan 0.000 0.430 188 G N 3.807 112.605 108.800 -0.003 0.000 2.673 188 G HA2 0.417 4.377 3.960 -0.000 0.000 0.292 188 G HA3 0.417 4.377 3.960 -0.000 0.000 0.292 188 G C -0.203 174.695 174.900 -0.002 0.000 1.450 188 G CA -0.879 44.219 45.100 -0.003 0.000 0.837 188 G HN 0.726 nan 8.290 nan 0.000 0.505 189 L N -0.353 120.869 121.223 -0.002 0.000 2.201 189 L HA 0.055 4.395 4.340 -0.000 0.000 0.212 189 L C 0.824 177.693 176.870 -0.002 0.000 1.105 189 L CA 0.695 55.534 54.840 -0.002 0.000 0.775 189 L CB 0.083 42.141 42.059 -0.002 0.000 0.913 189 L HN 0.379 nan 8.230 nan 0.000 0.440 190 D N -0.287 120.112 120.400 -0.002 0.000 2.295 190 D HA 0.115 4.755 4.640 -0.000 0.000 0.248 190 D C -1.531 174.769 176.300 -0.000 0.000 1.154 190 D CA -2.008 51.991 54.000 -0.001 0.000 0.857 190 D CB 1.754 42.553 40.800 -0.001 0.000 1.117 190 D HN -0.169 nan 8.370 nan 0.000 0.468 191 P HA -0.144 nan 4.420 nan 0.000 0.217 191 P C 0.481 177.782 177.300 0.002 0.000 1.151 191 P CA 1.340 64.441 63.100 0.001 0.000 0.849 191 P CB 0.266 31.967 31.700 0.002 0.000 0.787 192 K N -1.418 118.983 120.400 0.002 0.000 2.504 192 K HA 0.129 4.449 4.320 -0.000 0.000 0.199 192 K C 0.749 177.351 176.600 0.003 0.000 1.028 192 K CA -0.250 56.039 56.287 0.004 0.000 1.164 192 K CB -0.285 32.217 32.500 0.004 0.000 0.877 192 K HN 0.193 nan 8.250 nan 0.000 0.508 193 M N 1.951 121.552 119.600 0.001 0.000 2.219 193 M HA 0.088 4.568 4.480 -0.000 0.000 0.353 193 M C -1.064 175.235 176.300 -0.000 0.000 1.304 193 M CA 0.334 55.634 55.300 -0.000 0.000 1.115 193 M CB 0.706 33.305 32.600 -0.002 0.000 1.664 193 M HN -0.207 nan 8.290 nan 0.000 0.459 194 V N 4.639 124.553 119.914 -0.001 0.000 2.623 194 V HA 0.729 4.849 4.120 -0.000 0.000 0.304 194 V C -0.698 175.393 176.094 -0.005 0.000 1.054 194 V CA -0.834 61.465 62.300 -0.001 0.000 0.882 194 V CB 1.697 33.521 31.823 0.002 0.000 1.002 194 V HN 0.952 nan 8.190 nan 0.000 0.424 195 A N 3.433 126.248 122.820 -0.009 0.000 2.357 195 A HA 0.914 5.234 4.320 -0.000 0.000 0.295 195 A C -0.126 177.446 177.584 -0.020 0.000 1.121 195 A CA -0.280 51.749 52.037 -0.014 0.000 0.742 195 A CB 1.508 20.500 19.000 -0.014 0.000 1.181 195 A HN 0.947 nan 8.150 nan 0.000 0.454 196 T N -1.921 112.618 114.554 -0.025 0.000 2.907 196 T HA 0.609 4.959 4.350 -0.000 0.000 0.290 196 T C -0.645 174.025 174.700 -0.050 0.000 1.066 196 T CA -0.793 61.287 62.100 -0.035 0.000 1.012 196 T CB 1.460 70.312 68.868 -0.027 0.000 1.184 196 T HN 1.056 nan 8.240 nan 0.000 0.522 197 C N 2.299 121.559 119.300 -0.066 0.000 2.293 197 C HA 0.646 5.106 4.460 -0.000 0.000 0.323 197 C C -0.856 174.073 174.990 -0.100 0.000 1.240 197 C CA -0.476 58.491 59.018 -0.085 0.000 1.497 197 C CB -1.043 26.639 27.740 -0.095 0.000 2.171 197 C HN 0.882 nan 8.230 nan 0.000 0.465 198 D N 2.926 123.268 120.400 -0.097 0.000 2.277 198 D HA 0.309 4.949 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 0.007 53.959 54.000 -0.080 0.000 0.947 198 D CB 1.580 42.338 40.800 -0.070 0.000 1.159 198 D HN 0.553 nan 8.370 nan 0.000 0.460 199 S N 0.053 115.715 115.700 -0.063 0.000 2.629 199 S HA 0.115 4.585 4.470 -0.000 0.000 0.302 199 S C 1.067 175.664 174.600 -0.006 0.000 1.244 199 S CA -0.107 58.050 58.200 -0.073 0.000 1.098 199 S CB 0.134 63.271 63.200 -0.105 0.000 0.858 199 S HN 0.523 nan 8.310 nan 0.000 0.502 200 S N 1.253 116.952 115.700 -0.001 0.000 3.019 200 S HA 0.120 4.590 4.470 -0.000 0.000 0.258 200 S C -0.363 174.282 174.600 0.075 0.000 1.082 200 S CA -0.534 57.696 58.200 0.049 0.000 0.836 200 S CB -0.447 62.751 63.200 -0.005 0.000 0.834 200 S HN 0.572 nan 8.310 nan 0.000 0.457 201 D N 3.448 123.885 120.400 0.062 0.000 2.571 201 D HA 0.242 4.882 4.640 -0.000 0.000 0.231 201 D C 0.112 176.484 176.300 0.119 0.000 1.133 201 D CA 0.618 54.674 54.000 0.093 0.000 0.862 201 D CB -0.056 40.813 40.800 0.116 0.000 1.179 201 D HN 0.175 nan 8.370 nan 0.000 0.474 202 R N -0.415 120.148 120.500 0.106 0.000 3.125 202 R HA -0.101 4.239 4.340 -0.000 0.000 0.258 202 R C -2.481 173.864 176.300 0.075 0.000 0.968 202 R CA -0.033 56.123 56.100 0.094 0.000 0.656 202 R CB -1.842 28.545 30.300 0.145 0.000 1.251 202 R HN 0.453 nan 8.270 nan 0.000 0.428 203 P HA 0.084 nan 4.420 nan 0.000 0.272 203 P C -0.277 177.010 177.300 -0.022 0.000 1.230 203 P CA -0.118 63.004 63.100 0.036 0.000 0.788 203 P CB 0.737 32.467 31.700 0.049 0.000 0.949 204 R N 1.140 121.601 120.500 -0.064 0.000 2.407 204 R HA 0.525 4.865 4.340 -0.000 0.000 0.303 204 R C -1.376 174.799 176.300 -0.209 0.000 0.981 204 R CA -0.739 55.264 56.100 -0.160 0.000 0.905 204 R CB 0.911 31.099 30.300 -0.187 0.000 1.099 204 R HN 0.259 nan 8.270 nan 0.000 0.459 205 V N 5.429 125.183 119.914 -0.267 0.000 2.487 205 V HA 0.366 4.486 4.120 -0.000 0.000 0.298 205 V C -1.211 174.708 176.094 -0.293 0.000 1.028 205 V CA -0.704 61.476 62.300 -0.199 0.000 0.860 205 V CB 1.482 33.246 31.823 -0.099 0.000 0.991 205 V HN 0.690 nan 8.190 nan 0.000 0.427 206 Y N 1.809 122.088 120.300 -0.035 0.000 2.342 206 Y HA 0.603 5.153 4.550 -0.000 0.000 0.334 206 Y C 0.753 176.615 175.900 -0.064 0.000 1.067 206 Y CA -0.515 57.561 58.100 -0.040 0.000 1.128 206 Y CB 2.047 40.489 38.460 -0.029 0.000 1.200 206 Y HN 0.497 nan 8.280 nan 0.000 0.464 207 T N 5.147 119.746 114.554 0.076 0.000 2.786 207 T HA 0.578 4.928 4.350 -0.000 0.000 0.283 207 T C -0.586 174.068 174.700 -0.077 0.000 0.992 207 T CA -0.523 61.566 62.100 -0.020 0.000 0.954 207 T CB 0.330 69.177 68.868 -0.036 0.000 0.934 207 T HN 0.378 nan 8.240 nan 0.000 0.440 208 I N 2.873 123.336 120.570 -0.178 0.000 2.411 208 I HA 0.248 4.418 4.170 -0.000 0.000 0.284 208 I C 0.246 176.152 176.117 -0.351 0.000 1.012 208 I CA -0.638 60.463 61.300 -0.332 0.000 1.119 208 I CB 1.729 39.372 38.000 -0.595 0.000 1.261 208 I HN 0.476 nan 8.210 nan 0.000 0.448 209 T N 5.779 120.175 114.554 -0.263 0.000 2.863 209 T HA 0.210 4.560 4.350 -0.000 0.000 0.299 209 T C 1.204 175.750 174.700 -0.256 0.000 0.973 209 T CA -0.236 61.737 62.100 -0.211 0.000 0.994 209 T CB 1.088 69.882 68.868 -0.123 0.000 0.961 209 T HN 0.753 nan 8.240 nan 0.000 0.552 210 A N 2.935 125.569 122.820 -0.310 0.000 2.014 210 A HA 0.562 4.882 4.320 -0.000 0.000 0.218 210 A C 1.212 178.760 177.584 -0.060 0.000 1.163 210 A CA 0.588 52.471 52.037 -0.256 0.000 0.652 210 A CB 0.107 19.027 19.000 -0.133 0.000 0.808 210 A HN 0.892 nan 8.150 nan 0.000 0.449 211 A N -0.853 121.941 122.820 -0.043 0.000 2.540 211 A HA 0.541 4.861 4.320 -0.000 0.000 0.297 211 A C -1.999 175.603 177.584 0.029 0.000 1.056 211 A CA -0.351 51.712 52.037 0.044 0.000 0.700 211 A CB 1.038 20.108 19.000 0.116 0.000 1.280 211 A HN 0.026 nan 8.150 nan 0.000 0.398 212 D N 2.176 122.620 120.400 0.073 0.000 2.375 212 D HA 0.431 5.071 4.640 -0.000 0.000 0.259 212 D C -0.783 175.568 176.300 0.086 0.000 1.235 212 D CA 0.257 54.287 54.000 0.051 0.000 0.924 212 D CB 0.454 41.271 40.800 0.028 0.000 1.143 212 D HN 0.471 nan 8.370 nan 0.000 0.529 213 D N 2.071 122.521 120.400 0.083 0.000 2.697 213 D HA -0.297 4.343 4.640 -0.000 0.000 0.235 213 D C -0.504 175.877 176.300 0.135 0.000 1.167 213 D CA 0.574 54.630 54.000 0.093 0.000 0.656 213 D CB -1.804 39.028 40.800 0.054 0.000 1.025 213 D HN 0.454 nan 8.370 nan 0.000 0.419 214 Y N 1.311 121.669 120.300 0.098 0.000 2.537 214 Y HA 0.140 4.690 4.550 -0.000 0.000 0.339 214 Y C 0.501 176.491 175.900 0.149 0.000 1.066 214 Y CA -0.101 58.074 58.100 0.125 0.000 1.357 214 Y CB 0.520 39.082 38.460 0.169 0.000 1.175 214 Y HN -0.018 nan 8.280 nan 0.000 0.525 215 Q N 7.381 126.794 119.800 -0.646 0.000 2.288 215 Q HA 0.160 4.500 4.340 -0.000 0.000 0.258 215 Q C -1.203 174.200 176.000 -0.994 0.000 0.957 215 Q CA -0.262 55.197 55.803 -0.573 0.000 0.919 215 Q CB 1.487 30.018 28.738 -0.345 0.000 1.185 215 Q HN 0.753 nan 8.270 nan 0.000 0.408 216 F N 1.203 120.614 119.950 -0.899 0.000 2.469 216 F HA 0.513 5.040 4.527 -0.000 0.000 0.332 216 F C -0.593 174.845 175.800 -0.603 0.000 1.103 216 F CA -0.517 56.933 58.000 -0.917 0.000 0.979 216 F CB 1.788 39.748 39.000 -1.733 0.000 1.137 216 F HN 0.375 nan 8.300 nan 0.000 0.463 217 S N 4.035 118.969 115.700 -1.276 0.000 2.603 217 S HA 0.673 5.143 4.470 -0.000 0.000 0.274 217 S C -1.463 172.589 174.600 -0.913 0.000 1.168 217 S CA -0.388 57.288 58.200 -0.874 0.000 0.963 217 S CB 1.246 64.174 63.200 -0.452 0.000 1.078 217 S HN 0.952 nan 8.310 nan 0.000 0.477 218 S N 2.756 118.072 115.700 -0.640 0.000 2.565 218 S HA 0.403 4.873 4.470 -0.000 0.000 0.274 218 S C -1.830 172.698 174.600 -0.120 0.000 1.144 218 S CA -0.617 57.363 58.200 -0.367 0.000 0.849 218 S CB 1.439 64.412 63.200 -0.378 0.000 1.103 218 S HN 0.748 nan 8.310 nan 0.000 0.455 219 Q N 1.576 121.346 119.800 -0.050 0.000 2.354 219 Q HA 0.205 4.545 4.340 -0.000 0.000 0.244 219 Q C -0.731 175.327 176.000 0.097 0.000 0.969 219 Q CA -0.213 55.608 55.803 0.029 0.000 0.885 219 Q CB 0.506 29.254 28.738 0.017 0.000 1.241 219 Q HN 0.720 nan 8.270 nan 0.000 0.461 220 Y N 1.810 122.128 120.300 0.029 0.000 2.788 220 Y HA -0.077 4.473 4.550 -0.000 0.000 0.341 220 Y C -0.487 175.440 175.900 0.046 0.000 1.258 220 Y CA 0.638 58.768 58.100 0.049 0.000 1.503 220 Y CB 0.465 38.950 38.460 0.042 0.000 1.325 220 Y HN 0.481 nan 8.280 nan 0.000 0.614 221 Q N 6.924 126.221 119.800 -0.838 0.000 2.268 221 Q HA 0.419 4.759 4.340 -0.000 0.000 0.266 221 Q C -2.966 172.463 176.000 -0.951 0.000 1.006 221 Q CA -2.544 52.788 55.803 -0.786 0.000 0.824 221 Q CB 2.053 30.628 28.738 -0.271 0.000 1.306 221 Q HN 0.414 nan 8.270 nan 0.000 0.424 222 P HA 0.149 nan 4.420 nan 0.000 0.263 222 P C 0.516 177.734 177.300 -0.137 0.000 1.195 222 P CA 1.346 64.290 63.100 -0.261 0.000 0.762 222 P CB 0.751 32.385 31.700 -0.110 0.000 0.799 223 G N 2.155 110.929 108.800 -0.044 0.000 2.268 223 G HA2 0.007 3.967 3.960 -0.000 0.000 0.240 223 G HA3 0.007 3.967 3.960 -0.000 0.000 0.240 223 G C 0.466 175.361 174.900 -0.008 0.000 1.010 223 G CA 0.234 45.323 45.100 -0.018 0.000 0.618 223 G HN 1.067 nan 8.290 nan 0.000 0.516 224 G N -2.281 106.500 108.800 -0.032 0.000 2.631 224 G HA2 0.318 4.278 3.960 -0.000 0.000 0.504 224 G HA3 0.318 4.278 3.960 -0.000 0.000 0.504 224 G C -0.583 174.336 174.900 0.031 0.000 1.306 224 G CA 0.084 45.197 45.100 0.022 0.000 0.897 224 G HN 1.550 nan 8.290 nan 0.000 0.520 225 V N 0.838 120.813 119.914 0.102 0.000 2.407 225 V HA 0.650 4.770 4.120 -0.000 0.000 0.291 225 V C 0.419 176.602 176.094 0.148 0.000 1.018 225 V CA -0.221 62.166 62.300 0.145 0.000 0.842 225 V CB 1.581 33.558 31.823 0.258 0.000 0.996 225 V HN 1.000 nan 8.190 nan 0.000 0.426 226 T N 6.872 121.494 114.554 0.112 0.000 2.799 226 T HA 0.728 5.078 4.350 -0.000 0.000 0.286 226 T C -0.185 174.591 174.700 0.126 0.000 0.973 226 T CA -0.086 62.072 62.100 0.097 0.000 1.035 226 T CB 0.886 69.792 68.868 0.064 0.000 0.932 226 T HN 0.650 nan 8.240 nan 0.000 0.469 227 I N -0.693 119.958 120.570 0.135 0.000 2.785 227 I HA 0.664 4.834 4.170 -0.000 0.000 0.302 227 I C -0.459 175.718 176.117 0.101 0.000 1.069 227 I CA -0.937 60.453 61.300 0.151 0.000 1.045 227 I CB 2.349 40.500 38.000 0.252 0.000 1.236 227 I HN 0.301 nan 8.210 nan 0.000 0.429 228 T N 4.973 119.565 114.554 0.063 0.000 2.832 228 T HA 0.242 4.592 4.350 -0.000 0.000 0.313 228 T C 0.731 175.439 174.700 0.013 0.000 1.035 228 T CA -0.272 61.834 62.100 0.010 0.000 0.950 228 T CB 1.056 69.906 68.868 -0.030 0.000 0.984 228 T HN 0.594 nan 8.240 nan 0.000 0.486 229 L N 4.509 125.746 121.223 0.024 0.000 2.046 229 L HA 0.241 4.581 4.340 -0.000 0.000 0.208 229 L C 0.212 177.152 176.870 0.117 0.000 1.077 229 L CA 1.753 56.635 54.840 0.071 0.000 0.747 229 L CB -0.274 41.898 42.059 0.189 0.000 0.896 229 L HN 0.709 nan 8.230 nan 0.000 0.432 230 F N -3.275 116.670 119.950 -0.009 0.000 2.713 230 F HA 0.651 5.178 4.527 -0.000 0.000 0.311 230 F C -0.725 175.069 175.800 -0.011 0.000 1.141 230 F CA -0.901 57.083 58.000 -0.028 0.000 0.939 230 F CB 0.732 39.705 39.000 -0.045 0.000 1.325 230 F HN -0.304 nan 8.300 nan 0.000 0.453 231 S N 1.169 116.987 115.700 0.198 0.000 2.548 231 S HA 0.895 5.365 4.470 -0.000 0.000 0.276 231 S C -1.527 173.196 174.600 0.205 0.000 1.129 231 S CA 0.090 58.346 58.200 0.093 0.000 0.931 231 S CB 1.273 64.472 63.200 -0.000 0.000 1.068 231 S HN 1.688 nan 8.310 nan 0.000 0.480 232 A N 3.849 126.773 122.820 0.172 0.000 2.488 232 A HA 0.703 5.023 4.320 -0.000 0.000 0.298 232 A C -1.202 176.369 177.584 -0.022 0.000 1.044 232 A CA -0.887 51.198 52.037 0.080 0.000 0.693 232 A CB 1.066 20.113 19.000 0.078 0.000 1.272 232 A HN 0.714 nan 8.150 nan 0.000 0.402 233 N N 1.478 120.147 118.700 -0.051 0.000 2.442 233 N HA 0.524 5.264 4.740 -0.000 0.000 0.265 233 N C -0.214 175.165 175.510 -0.218 0.000 1.138 233 N CA 0.278 53.282 53.050 -0.077 0.000 0.956 233 N CB 0.505 38.981 38.487 -0.018 0.000 1.067 233 N HN 0.744 nan 8.380 nan 0.000 0.474 234 I N -2.150 118.267 120.570 -0.255 0.000 3.174 234 I HA 0.615 4.785 4.170 -0.000 0.000 0.313 234 I C -1.040 175.025 176.117 -0.086 0.000 1.155 234 I CA -0.964 60.041 61.300 -0.492 0.000 0.977 234 I CB 2.665 40.206 38.000 -0.766 0.000 1.248 234 I HN 0.027 nan 8.210 nan 0.000 0.453 235 D N 2.083 122.541 120.400 0.098 0.000 2.646 235 D HA 0.721 5.361 4.640 -0.000 0.000 0.245 235 D C -1.161 175.224 176.300 0.140 0.000 1.099 235 D CA -0.228 53.859 54.000 0.145 0.000 0.849 235 D CB 2.397 43.313 40.800 0.194 0.000 1.448 235 D HN 0.903 nan 8.370 nan 0.000 0.489 236 A N 1.977 124.846 122.820 0.080 0.000 2.517 236 A HA 0.530 4.850 4.320 -0.000 0.000 0.297 236 A C -0.210 177.377 177.584 0.005 0.000 1.050 236 A CA -0.516 51.554 52.037 0.055 0.000 0.694 236 A CB 0.922 19.954 19.000 0.053 0.000 1.277 236 A HN 0.553 nan 8.150 nan 0.000 0.400 237 I N 0.509 121.066 120.570 -0.021 0.000 4.124 237 I HA 0.119 4.289 4.170 -0.000 0.000 0.311 237 I C 1.259 177.365 176.117 -0.019 0.000 1.259 237 I CA 1.064 62.312 61.300 -0.087 0.000 1.315 237 I CB 0.677 38.527 38.000 -0.250 0.000 1.223 237 I HN 0.792 nan 8.210 nan 0.000 0.441 238 T N -1.442 113.139 114.554 0.046 0.000 2.762 238 T HA 0.411 4.761 4.350 -0.000 0.000 0.272 238 T C 0.323 175.074 174.700 0.085 0.000 0.982 238 T CA -0.487 61.658 62.100 0.076 0.000 1.013 238 T CB 1.161 70.103 68.868 0.125 0.000 1.309 238 T HN 0.125 nan 8.240 nan 0.000 0.572 239 S N 0.619 116.387 115.700 0.113 0.000 2.558 239 S HA 0.370 4.840 4.470 -0.000 0.000 0.291 239 S C 0.043 174.756 174.600 0.187 0.000 1.306 239 S CA -0.426 57.869 58.200 0.158 0.000 1.056 239 S CB -0.976 62.336 63.200 0.188 0.000 0.836 239 S HN 1.190 nan 8.310 nan 0.000 0.504 240 L N -0.536 120.759 121.223 0.120 0.000 2.491 240 L HA 0.950 5.290 4.340 -0.000 0.000 0.254 240 L C -0.654 176.224 176.870 0.013 0.000 1.048 240 L CA -1.006 53.804 54.840 -0.049 0.000 0.855 240 L CB 1.864 43.909 42.059 -0.023 0.000 1.466 240 L HN 0.856 nan 8.230 nan 0.000 0.409 241 S N -0.204 115.460 115.700 -0.060 0.000 2.569 241 S HA 0.886 5.356 4.470 -0.000 0.000 0.280 241 S C -1.079 173.547 174.600 0.044 0.000 1.111 241 S CA -0.686 57.543 58.200 0.049 0.000 0.887 241 S CB 1.979 65.254 63.200 0.125 0.000 1.095 241 S HN 0.662 nan 8.310 nan 0.000 0.476 242 V N 1.519 121.486 119.914 0.089 0.000 2.487 242 V HA 0.840 4.960 4.120 -0.000 0.000 0.298 242 V C 0.701 176.879 176.094 0.140 0.000 1.028 242 V CA 0.005 62.370 62.300 0.108 0.000 0.860 242 V CB 1.193 33.114 31.823 0.163 0.000 0.991 242 V HN 1.245 nan 8.190 nan 0.000 0.427 243 G N 1.813 110.669 108.800 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 -0.136 174.799 174.900 0.058 0.000 1.308 243 G CA -0.225 44.940 45.100 0.107 0.000 0.964 243 G HN 1.488 nan 8.290 nan 0.000 0.484 244 G N -1.152 107.699 108.800 0.085 0.000 2.422 244 G HA2 0.347 4.307 3.960 -0.000 0.000 0.607 244 G HA3 0.347 4.307 3.960 -0.000 0.000 0.607 244 G C -0.977 174.010 174.900 0.145 0.000 1.270 244 G CA 0.066 45.186 45.100 0.033 0.000 0.992 244 G HN 0.934 nan 8.290 nan 0.000 0.499 245 E N -1.158 119.094 120.200 0.086 0.000 2.354 245 E HA 0.549 4.899 4.350 -0.000 0.000 0.283 245 E C -0.952 175.706 176.600 0.097 0.000 0.938 245 E CA -0.765 55.747 56.400 0.186 0.000 0.777 245 E CB 1.570 31.337 29.700 0.112 0.000 1.222 245 E HN 0.604 nan 8.360 nan 0.000 0.423 246 L N 2.940 124.274 121.223 0.185 0.000 2.322 246 L HA 0.635 4.975 4.340 -0.000 0.000 0.279 246 L C -0.659 176.156 176.870 -0.091 0.000 1.036 246 L CA -1.110 53.714 54.840 -0.027 0.000 0.807 246 L CB 1.783 43.822 42.059 -0.034 0.000 1.226 246 L HN 0.297 nan 8.230 nan 0.000 0.433 247 V N 2.565 122.322 119.914 -0.261 0.000 2.448 247 V HA 0.445 4.565 4.120 -0.000 0.000 0.295 247 V C -0.694 175.200 176.094 -0.332 0.000 1.025 247 V CA -0.441 61.767 62.300 -0.152 0.000 0.859 247 V CB 1.625 33.412 31.823 -0.059 0.000 0.988 247 V HN 0.370 nan 8.190 nan 0.000 0.431 248 F N 4.324 124.261 119.950 -0.021 0.000 2.469 248 F HA 0.717 5.244 4.527 -0.000 0.000 0.332 248 F C 0.554 176.373 175.800 0.032 0.000 1.103 248 F CA -0.686 57.299 58.000 -0.025 0.000 0.979 248 F CB 1.696 40.582 39.000 -0.189 0.000 1.137 248 F HN 0.252 nan 8.300 nan 0.000 0.463 249 R N 1.132 121.789 120.500 0.262 0.000 2.803 249 R HA 0.760 5.100 4.340 -0.000 0.000 0.276 249 R C -0.837 175.603 176.300 0.233 0.000 0.978 249 R CA -0.811 55.402 56.100 0.189 0.000 0.939 249 R CB 2.159 32.538 30.300 0.130 0.000 1.179 249 R HN 0.693 nan 8.270 nan 0.000 0.472 250 T N -1.041 113.602 114.554 0.148 0.000 2.885 250 T HA 0.228 4.578 4.350 -0.000 0.000 0.322 250 T C -0.002 174.714 174.700 0.027 0.000 1.387 250 T CA -0.404 61.776 62.100 0.132 0.000 1.041 250 T CB 1.430 70.404 68.868 0.177 0.000 1.287 250 T HN 0.452 nan 8.240 nan 0.000 0.491 251 S N 0.938 116.643 115.700 0.008 0.000 2.511 251 S HA 0.243 4.713 4.470 -0.000 0.000 0.214 251 S C 0.409 174.925 174.600 -0.139 0.000 0.997 251 S CA -0.124 58.041 58.200 -0.059 0.000 0.908 251 S CB 0.359 63.550 63.200 -0.015 0.000 0.803 251 S HN 0.591 nan 8.310 nan 0.000 0.504 252 V N 3.787 123.653 119.914 -0.080 0.000 2.439 252 V HA 0.296 4.416 4.120 -0.000 0.000 0.282 252 V C 0.027 176.056 176.094 -0.109 0.000 1.039 252 V CA -0.825 61.442 62.300 -0.054 0.000 0.913 252 V CB 0.652 32.505 31.823 0.050 0.000 0.983 252 V HN 0.412 nan 8.190 nan 0.000 0.460 253 H N 2.815 121.910 119.070 0.042 0.000 2.562 253 H HA 0.350 4.906 4.556 -0.000 0.000 0.352 253 H C 1.259 176.601 175.328 0.024 0.000 1.125 253 H CA 0.823 56.889 56.048 0.030 0.000 1.379 253 H CB 1.400 31.171 29.762 0.016 0.000 1.464 253 H HN 1.014 nan 8.280 nan 0.000 0.563 254 G N 2.641 111.525 108.800 0.141 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 0.067 175.002 174.900 0.059 0.000 1.024 254 G CA -0.160 44.988 45.100 0.079 0.000 0.755 254 G HN 0.460 nan 8.290 nan 0.000 0.507 255 L N -0.035 121.225 121.223 0.063 0.000 2.326 255 L HA 0.585 4.925 4.340 -0.000 0.000 0.278 255 L C 0.460 177.337 176.870 0.012 0.000 1.092 255 L CA -0.842 54.038 54.840 0.067 0.000 0.810 255 L CB 1.589 43.717 42.059 0.116 0.000 1.153 255 L HN -0.043 nan 8.230 nan 0.000 0.439 256 V N 4.937 124.853 119.914 0.005 0.000 2.487 256 V HA 0.431 4.551 4.120 -0.000 0.000 0.298 256 V C 0.012 176.047 176.094 -0.097 0.000 1.028 256 V CA -0.485 61.787 62.300 -0.047 0.000 0.860 256 V CB 2.135 33.947 31.823 -0.018 0.000 0.991 256 V HN 0.516 nan 8.190 nan 0.000 0.427 257 L N 3.951 125.056 121.223 -0.197 0.000 2.317 257 L HA 0.809 5.149 4.340 -0.000 0.000 0.281 257 L C 0.580 177.314 176.870 -0.227 0.000 1.024 257 L CA -0.323 54.340 54.840 -0.295 0.000 0.810 257 L CB 1.927 43.629 42.059 -0.595 0.000 1.240 257 L HN 0.775 nan 8.230 nan 0.000 0.427 258 G N 1.749 110.440 108.800 -0.182 0.000 2.452 258 G HA2 0.770 4.730 3.960 -0.000 0.000 0.324 258 G HA3 0.770 4.730 3.960 -0.000 0.000 0.324 258 G C -1.391 173.424 174.900 -0.141 0.000 1.214 258 G CA -0.389 44.627 45.100 -0.139 0.000 0.947 258 G HN 0.735 nan 8.290 nan 0.000 0.478 259 A N 1.146 123.884 122.820 -0.137 0.000 2.488 259 A HA 0.869 5.189 4.320 -0.000 0.000 0.298 259 A C -0.457 177.051 177.584 -0.127 0.000 1.044 259 A CA -0.573 51.401 52.037 -0.105 0.000 0.693 259 A CB 1.865 20.805 19.000 -0.100 0.000 1.272 259 A HN 0.789 nan 8.150 nan 0.000 0.402 260 T N 2.423 116.909 114.554 -0.113 0.000 2.886 260 T HA 0.553 4.903 4.350 -0.000 0.000 0.292 260 T C -0.586 173.951 174.700 -0.272 0.000 1.012 260 T CA -0.236 61.712 62.100 -0.253 0.000 0.982 260 T CB 1.124 69.762 68.868 -0.383 0.000 1.018 260 T HN 0.509 nan 8.240 nan 0.000 0.451 261 I N 3.008 123.403 120.570 -0.291 0.000 2.359 261 I HA 0.405 4.575 4.170 -0.000 0.000 0.294 261 I C -1.073 174.837 176.117 -0.344 0.000 0.987 261 I CA -0.789 60.403 61.300 -0.179 0.000 1.225 261 I CB 1.089 39.101 38.000 0.020 0.000 1.366 261 I HN 0.631 nan 8.210 nan 0.000 0.466 262 Y N 6.232 126.508 120.300 -0.040 0.000 2.364 262 Y HA 0.493 5.043 4.550 -0.000 0.000 0.340 262 Y C -0.300 175.580 175.900 -0.034 0.000 0.975 262 Y CA -0.727 57.350 58.100 -0.037 0.000 1.089 262 Y CB 1.560 39.989 38.460 -0.051 0.000 1.192 262 Y HN 0.296 nan 8.280 nan 0.000 0.454 263 L N 5.268 126.560 121.223 0.115 0.000 2.287 263 L HA 0.463 4.803 4.340 -0.000 0.000 0.287 263 L C -0.819 176.087 176.870 0.060 0.000 1.022 263 L CA -0.586 54.294 54.840 0.066 0.000 0.814 263 L CB 0.716 42.798 42.059 0.039 0.000 1.217 263 L HN 0.478 nan 8.230 nan 0.000 0.420 264 I N 2.384 122.976 120.570 0.038 0.000 2.392 264 I HA 0.408 4.578 4.170 -0.000 0.000 0.295 264 I C 0.899 177.027 176.117 0.018 0.000 0.985 264 I CA -0.225 61.086 61.300 0.019 0.000 1.221 264 I CB 1.434 39.429 38.000 -0.009 0.000 1.366 264 I HN 0.553 nan 8.210 nan 0.000 0.467 265 G N 3.269 112.080 108.800 0.019 0.000 2.562 265 G HA2 0.184 4.144 3.960 -0.000 0.000 0.275 265 G HA3 0.184 4.144 3.960 -0.000 0.000 0.275 265 G C 0.446 175.393 174.900 0.078 0.000 1.196 265 G CA -0.345 44.785 45.100 0.050 0.000 0.908 265 G HN 0.591 nan 8.290 nan 0.000 0.524 266 F N 0.687 120.618 119.950 -0.031 0.000 2.192 266 F HA -0.166 4.361 4.527 0.000 0.000 0.301 266 F C 2.158 177.871 175.800 -0.145 0.000 1.079 266 F CA 2.039 59.949 58.000 -0.151 0.000 1.303 266 F CB 0.242 39.030 39.000 -0.354 0.000 1.024 266 F HN 0.436 nan 8.300 nan 0.000 0.494 267 D N -1.045 119.343 120.400 -0.020 0.000 2.325 267 D HA 0.155 4.795 4.640 -0.000 0.000 0.225 267 D C 1.782 178.052 176.300 -0.049 0.000 1.096 267 D CA 0.681 54.665 54.000 -0.026 0.000 0.844 267 D CB -0.578 40.373 40.800 0.250 0.000 0.925 267 D HN 0.399 nan 8.370 nan 0.000 0.513 268 G N -0.620 108.130 108.800 -0.083 0.000 2.179 268 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 268 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 268 G C 0.469 175.346 174.900 -0.038 0.000 0.977 268 G CA 0.478 45.534 45.100 -0.074 0.000 0.641 268 G HN 0.511 nan 8.290 nan 0.000 0.533 269 T N 1.689 116.242 114.554 -0.002 0.000 2.910 269 T HA 0.506 4.856 4.350 -0.000 0.000 0.293 269 T C 0.706 175.411 174.700 0.009 0.000 1.015 269 T CA 0.623 62.730 62.100 0.012 0.000 1.094 269 T CB 0.844 69.742 68.868 0.050 0.000 0.968 269 T HN 0.195 nan 8.240 nan 0.000 0.521 270 T N 3.615 118.177 114.554 0.014 0.000 2.769 270 T HA 0.149 4.499 4.350 -0.000 0.000 0.293 270 T C 1.463 176.190 174.700 0.044 0.000 0.931 270 T CA -0.471 61.657 62.100 0.047 0.000 1.139 270 T CB 0.694 69.614 68.868 0.087 0.000 0.881 270 T HN 0.364 nan 8.240 nan 0.000 0.532 271 V N 4.118 124.053 119.914 0.036 0.000 2.492 271 V HA 0.269 4.389 4.120 -0.000 0.000 0.241 271 V C 0.709 176.817 176.094 0.024 0.000 1.041 271 V CA 0.912 63.218 62.300 0.010 0.000 1.057 271 V CB -0.029 31.784 31.823 -0.017 0.000 0.711 271 V HN 0.723 nan 8.190 nan 0.000 0.468 272 I N -0.364 120.230 120.570 0.040 0.000 2.619 272 I HA 0.431 4.601 4.170 -0.000 0.000 0.292 272 I C -0.581 175.552 176.117 0.027 0.000 1.100 272 I CA -0.061 61.255 61.300 0.026 0.000 1.043 272 I CB 2.439 40.446 38.000 0.013 0.000 1.239 272 I HN 0.047 nan 8.210 nan 0.000 0.420 273 T N 5.701 120.245 114.554 -0.017 0.000 2.840 273 T HA 0.576 4.926 4.350 -0.000 0.000 0.287 273 T C -0.995 173.604 174.700 -0.169 0.000 0.991 273 T CA -0.667 61.350 62.100 -0.138 0.000 0.964 273 T CB 0.687 69.517 68.868 -0.063 0.000 0.954 273 T HN 0.416 nan 8.240 nan 0.000 0.438 274 R N 3.326 123.685 120.500 -0.236 0.000 2.483 274 R HA 0.599 4.939 4.340 -0.000 0.000 0.303 274 R C -0.278 175.898 176.300 -0.208 0.000 0.987 274 R CA -0.689 55.311 56.100 -0.168 0.000 0.881 274 R CB 1.538 31.779 30.300 -0.098 0.000 1.177 274 R HN 0.848 nan 8.270 nan 0.000 0.451 275 A N 2.791 125.505 122.820 -0.176 0.000 2.491 275 A HA 0.188 4.508 4.320 -0.000 0.000 0.261 275 A C 1.083 178.561 177.584 -0.177 0.000 1.101 275 A CA -0.183 51.751 52.037 -0.172 0.000 0.772 275 A CB 0.365 19.288 19.000 -0.130 0.000 1.043 275 A HN 0.526 nan 8.150 nan 0.000 0.501 276 V N 1.994 121.774 119.914 -0.223 0.000 2.949 276 V HA 0.352 4.472 4.120 -0.000 0.000 0.245 276 V C 1.109 177.017 176.094 -0.310 0.000 1.086 276 V CA 1.698 63.803 62.300 -0.325 0.000 1.097 276 V CB -0.132 31.369 31.823 -0.537 0.000 0.762 276 V HN 1.188 nan 8.190 nan 0.000 0.470 277 A N -0.269 122.405 122.820 -0.244 0.000 2.485 277 A HA 0.820 5.140 4.320 -0.000 0.000 0.285 277 A C -0.714 176.773 177.584 -0.161 0.000 1.045 277 A CA 0.208 52.126 52.037 -0.198 0.000 0.792 277 A CB 1.063 19.933 19.000 -0.217 0.000 1.307 277 A HN 0.412 nan 8.150 nan 0.000 0.406 278 A N 2.264 125.008 122.820 -0.126 0.000 2.337 278 A HA 0.790 5.110 4.320 -0.000 0.000 0.331 278 A C 0.340 177.869 177.584 -0.091 0.000 1.137 278 A CA -0.120 51.856 52.037 -0.102 0.000 0.807 278 A CB 0.318 19.270 19.000 -0.080 0.000 1.250 278 A HN 2.300 nan 8.150 nan 0.000 0.468 279 N N 1.002 119.655 118.700 -0.080 0.000 2.558 279 N HA -0.225 4.515 4.740 -0.000 0.000 0.302 279 N C -0.904 174.558 175.510 -0.079 0.000 1.322 279 N CA 1.035 54.045 53.050 -0.067 0.000 0.687 279 N CB -0.378 38.083 38.487 -0.044 0.000 0.992 279 N HN 0.776 nan 8.380 nan 0.000 0.524 280 N N 2.516 121.157 118.700 -0.100 0.000 2.621 280 N HA 0.310 5.050 4.740 -0.000 0.000 0.271 280 N C -0.372 175.070 175.510 -0.114 0.000 1.181 280 N CA 0.148 53.130 53.050 -0.114 0.000 0.805 280 N CB 1.011 39.402 38.487 -0.160 0.000 1.351 280 N HN 0.581 nan 8.380 nan 0.000 0.539 281 G N 2.351 111.109 108.800 -0.070 0.000 2.398 281 G HA2 0.367 4.327 3.960 -0.000 0.000 0.246 281 G HA3 0.367 4.327 3.960 -0.000 0.000 0.246 281 G C -0.023 174.844 174.900 -0.054 0.000 1.289 281 G CA -0.120 44.951 45.100 -0.049 0.000 0.869 281 G HN 0.541 nan 8.290 nan 0.000 0.543 282 L N 1.904 123.100 121.223 -0.044 0.000 2.295 282 L HA 0.347 4.687 4.340 -0.000 0.000 0.285 282 L C 0.435 177.310 176.870 0.009 0.000 1.035 282 L CA -0.700 54.123 54.840 -0.029 0.000 0.806 282 L CB 1.731 43.767 42.059 -0.038 0.000 1.214 282 L HN 0.393 nan 8.230 nan 0.000 0.426 283 T N 0.690 115.255 114.554 0.018 0.000 2.882 283 T HA 0.221 4.571 4.350 -0.000 0.000 0.287 283 T C 0.326 175.034 174.700 0.013 0.000 0.992 283 T CA -0.459 61.660 62.100 0.030 0.000 1.076 283 T CB 1.265 70.155 68.868 0.036 0.000 0.961 283 T HN 0.483 nan 8.240 nan 0.000 0.490 284 T N 2.263 116.806 114.554 -0.018 0.000 2.919 284 T HA 0.420 4.770 4.350 -0.000 0.000 0.302 284 T C 1.440 176.137 174.700 -0.005 0.000 1.031 284 T CA 0.687 62.742 62.100 -0.075 0.000 1.127 284 T CB 0.451 69.174 68.868 -0.242 0.000 0.952 284 T HN 1.006 nan 8.240 nan 0.000 0.540 285 G N 2.827 111.628 108.800 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 0.200 175.118 174.900 0.030 0.000 1.012 285 G CA 0.385 45.498 45.100 0.021 0.000 0.749 285 G HN 0.914 nan 8.290 nan 0.000 0.512 286 T N -0.225 114.351 114.554 0.036 0.000 2.883 286 T HA 0.487 4.837 4.350 -0.000 0.000 0.301 286 T C -0.891 173.839 174.700 0.050 0.000 1.158 286 T CA -0.847 61.276 62.100 0.039 0.000 1.007 286 T CB 1.873 70.763 68.868 0.036 0.000 1.186 286 T HN 0.072 nan 8.240 nan 0.000 0.499 287 D N 2.227 122.654 120.400 0.046 0.000 2.425 287 D HA 0.171 4.811 4.640 -0.000 0.000 0.247 287 D C -0.312 176.026 176.300 0.063 0.000 1.147 287 D CA 0.313 54.346 54.000 0.055 0.000 0.879 287 D CB 0.344 41.167 40.800 0.040 0.000 1.179 287 D HN 0.379 nan 8.370 nan 0.000 0.456 288 N N 1.713 120.470 118.700 0.096 0.000 2.476 288 N HA 0.281 5.021 4.740 -0.000 0.000 0.257 288 N C -0.592 175.002 175.510 0.140 0.000 0.970 288 N CA -0.477 52.632 53.050 0.099 0.000 0.938 288 N CB 1.281 39.824 38.487 0.093 0.000 1.144 288 N HN 0.163 nan 8.380 nan 0.000 0.500 289 L N 1.731 123.008 121.223 0.090 0.000 2.326 289 L HA 0.460 4.800 4.340 -0.000 0.000 0.278 289 L C 0.104 177.036 176.870 0.104 0.000 1.092 289 L CA -0.177 54.720 54.840 0.095 0.000 0.810 289 L CB 0.910 43.004 42.059 0.058 0.000 1.153 289 L HN 0.465 nan 8.230 nan 0.000 0.439 290 M N 5.603 125.294 119.600 0.152 0.000 1.987 290 M HA 0.397 4.877 4.480 -0.000 0.000 0.298 290 M C -2.617 173.755 176.300 0.119 0.000 0.892 290 M CA -1.608 53.758 55.300 0.110 0.000 0.885 290 M CB 1.595 34.332 32.600 0.229 0.000 1.469 290 M HN 0.197 nan 8.290 nan 0.000 0.389 291 P HA 0.325 nan 4.420 nan 0.000 0.276 291 P C -1.355 175.952 177.300 0.010 0.000 1.244 291 P CA -0.040 63.125 63.100 0.108 0.000 0.801 291 P CB 0.508 32.236 31.700 0.046 0.000 1.006 292 F N 1.315 121.280 119.950 0.024 0.000 2.427 292 F HA 0.370 4.897 4.527 -0.000 0.000 0.348 292 F C 0.774 176.587 175.800 0.021 0.000 1.125 292 F CA -0.141 57.874 58.000 0.024 0.000 0.989 292 F CB 0.978 40.000 39.000 0.037 0.000 1.165 292 F HN 0.127 nan 8.300 nan 0.000 0.442 293 N N 5.338 124.098 118.700 0.101 0.000 2.679 293 N HA 0.247 4.987 4.740 -0.000 0.000 0.302 293 N C -1.113 174.434 175.510 0.062 0.000 1.941 293 N CA -0.051 53.044 53.050 0.076 0.000 0.875 293 N CB 1.118 39.625 38.487 0.033 0.000 1.278 293 N HN 0.435 nan 8.380 nan 0.000 0.490 294 L N 0.920 122.201 121.223 0.096 0.000 2.289 294 L HA 0.541 4.881 4.340 -0.000 0.000 0.285 294 L C -0.035 176.883 176.870 0.080 0.000 1.049 294 L CA -0.778 54.107 54.840 0.075 0.000 0.804 294 L CB 1.733 43.848 42.059 0.093 0.000 1.195 294 L HN -0.206 nan 8.230 nan 0.000 0.428 295 V N 4.811 124.764 119.914 0.065 0.000 2.444 295 V HA 0.395 4.515 4.120 -0.000 0.000 0.294 295 V C -0.264 175.869 176.094 0.065 0.000 1.022 295 V CA -0.377 61.971 62.300 0.081 0.000 0.850 295 V CB 2.131 34.000 31.823 0.076 0.000 0.992 295 V HN 0.461 nan 8.190 nan 0.000 0.426 296 I N 8.512 129.128 120.570 0.076 0.000 2.328 296 I HA 0.424 4.594 4.170 -0.000 0.000 0.287 296 I C -2.130 174.027 176.117 0.067 0.000 1.012 296 I CA -1.873 59.461 61.300 0.057 0.000 1.195 296 I CB 1.967 39.995 38.000 0.047 0.000 1.350 296 I HN 0.438 nan 8.210 nan 0.000 0.464 297 P HA 0.139 nan 4.420 nan 0.000 0.274 297 P C 0.643 177.968 177.300 0.042 0.000 1.231 297 P CA -0.229 62.898 63.100 0.045 0.000 0.790 297 P CB 0.804 32.521 31.700 0.028 0.000 0.951 298 T N 1.068 115.649 114.554 0.044 0.000 2.653 298 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 298 T C 1.610 176.325 174.700 0.025 0.000 1.035 298 T CA 2.124 64.247 62.100 0.039 0.000 1.154 298 T CB -0.918 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 1.367 120.081 118.700 0.023 0.000 2.443 299 N HA -0.154 4.586 4.740 -0.000 0.000 0.184 299 N C 1.397 176.917 175.510 0.017 0.000 1.037 299 N CA 1.012 54.074 53.050 0.020 0.000 0.896 299 N CB -0.214 38.284 38.487 0.019 0.000 0.959 299 N HN 0.511 nan 8.380 nan 0.000 0.442 300 E N 0.194 120.403 120.200 0.016 0.000 2.371 300 E HA 0.154 4.505 4.350 -0.000 0.000 0.194 300 E C 0.178 176.779 176.600 0.003 0.000 1.012 300 E CA 0.086 56.493 56.400 0.011 0.000 0.860 300 E CB 0.207 29.915 29.700 0.013 0.000 0.811 300 E HN 0.438 nan 8.360 nan 0.000 0.502 301 I N 2.380 122.950 120.570 -0.001 0.000 2.260 301 I HA -0.026 4.144 4.170 -0.000 0.000 0.297 301 I C 1.401 177.491 176.117 -0.045 0.000 1.143 301 I CA -0.051 61.236 61.300 -0.021 0.000 1.271 301 I CB 0.689 38.681 38.000 -0.013 0.000 1.461 301 I HN 0.038 nan 8.210 nan 0.000 0.530 302 T N 1.613 116.127 114.554 -0.067 0.000 3.085 302 T HA -0.007 4.343 4.350 -0.000 0.000 0.263 302 T C 0.523 175.065 174.700 -0.263 0.000 1.127 302 T CA 0.299 62.351 62.100 -0.081 0.000 1.103 302 T CB -0.079 68.768 68.868 -0.035 0.000 0.921 302 T HN 0.695 nan 8.240 nan 0.000 0.510 303 Q N -0.607 118.976 119.800 -0.362 0.000 2.522 303 Q HA 0.547 4.887 4.340 -0.000 0.000 0.285 303 Q C -3.483 172.391 176.000 -0.211 0.000 0.982 303 Q CA -2.554 52.906 55.803 -0.571 0.000 0.805 303 Q CB 0.797 28.716 28.738 -1.364 0.000 1.457 303 Q HN -0.120 nan 8.270 nan 0.000 0.394 304 P HA -0.020 nan 4.420 nan 0.000 0.261 304 P C -0.589 176.741 177.300 0.050 0.000 1.173 304 P CA 0.216 63.341 63.100 0.041 0.000 0.760 304 P CB 0.251 32.066 31.700 0.192 0.000 0.783 305 I N 3.128 123.719 120.570 0.035 0.000 2.441 305 I HA 0.075 4.245 4.170 -0.000 0.000 0.287 305 I C 1.533 177.689 176.117 0.065 0.000 1.049 305 I CA 0.668 61.992 61.300 0.040 0.000 1.381 305 I CB 0.407 38.422 38.000 0.025 0.000 1.409 305 I HN 0.350 nan 8.210 nan 0.000 0.523 306 T N 3.293 117.885 114.554 0.063 0.000 2.955 306 T HA 0.129 4.479 4.350 -0.000 0.000 0.251 306 T C 0.451 175.160 174.700 0.015 0.000 1.002 306 T CA 0.293 62.436 62.100 0.072 0.000 0.970 306 T CB 0.361 69.308 68.868 0.132 0.000 1.091 306 T HN 0.805 nan 8.240 nan 0.000 0.495 307 S N 0.094 115.791 115.700 -0.004 0.000 2.596 307 S HA 0.722 5.192 4.470 -0.000 0.000 0.270 307 S C -1.477 173.115 174.600 -0.012 0.000 1.155 307 S CA -0.942 57.243 58.200 -0.026 0.000 0.827 307 S CB 1.852 65.039 63.200 -0.022 0.000 1.130 307 S HN 0.273 nan 8.310 nan 0.000 0.467 308 I N 1.214 121.782 120.570 -0.004 0.000 2.545 308 I HA 0.709 4.879 4.170 -0.000 0.000 0.292 308 I C -1.319 174.786 176.117 -0.021 0.000 1.040 308 I CA -0.702 60.611 61.300 0.021 0.000 1.068 308 I CB 1.740 39.775 38.000 0.057 0.000 1.251 308 I HN 1.016 nan 8.210 nan 0.000 0.424 309 K N 6.352 126.702 120.400 -0.082 0.000 2.477 309 K HA 0.661 4.981 4.320 -0.000 0.000 0.255 309 K C -2.024 174.397 176.600 -0.298 0.000 0.952 309 K CA -0.967 55.147 56.287 -0.289 0.000 0.826 309 K CB 2.438 34.840 32.500 -0.162 0.000 1.331 309 K HN 0.466 nan 8.250 nan 0.000 0.437 310 L N 1.078 121.943 121.223 -0.596 0.000 2.349 310 L HA 0.437 4.777 4.340 -0.000 0.000 0.278 310 L C -1.191 175.615 176.870 -0.107 0.000 0.996 310 L CA -0.006 54.657 54.840 -0.296 0.000 0.825 310 L CB 1.782 43.627 42.059 -0.357 0.000 1.243 310 L HN 0.778 nan 8.230 nan 0.000 0.412 311 E N 5.138 125.377 120.200 0.066 0.000 2.214 311 E HA 0.574 4.924 4.350 -0.000 0.000 0.274 311 E C -1.139 175.506 176.600 0.075 0.000 0.977 311 E CA -0.614 55.846 56.400 0.100 0.000 0.827 311 E CB 2.327 32.153 29.700 0.209 0.000 1.130 311 E HN 0.541 nan 8.360 nan 0.000 0.394 312 I N 2.259 122.875 120.570 0.077 0.000 2.466 312 I HA 0.260 4.430 4.170 -0.000 0.000 0.289 312 I C -0.785 175.345 176.117 0.021 0.000 1.026 312 I CA -1.004 60.313 61.300 0.029 0.000 1.078 312 I CB 1.903 39.933 38.000 0.049 0.000 1.249 312 I HN 0.170 nan 8.210 nan 0.000 0.429 313 V N 4.209 124.109 119.914 -0.022 0.000 2.427 313 V HA 0.492 4.612 4.120 -0.000 0.000 0.286 313 V C 0.027 176.106 176.094 -0.025 0.000 1.034 313 V CA -0.402 61.898 62.300 -0.001 0.000 0.893 313 V CB 1.487 33.312 31.823 0.002 0.000 0.982 313 V HN 0.731 nan 8.190 nan 0.000 0.452 314 T N 3.680 118.258 114.554 0.040 0.000 2.809 314 T HA 0.655 5.005 4.350 -0.000 0.000 0.284 314 T C -0.133 174.654 174.700 0.146 0.000 0.992 314 T CA -0.517 61.640 62.100 0.096 0.000 0.957 314 T CB 1.391 70.376 68.868 0.196 0.000 0.942 314 T HN 0.931 nan 8.240 nan 0.000 0.439 315 S N 2.615 118.393 115.700 0.130 0.000 2.627 315 S HA 0.785 5.255 4.470 -0.000 0.000 0.283 315 S C -1.205 173.503 174.600 0.181 0.000 1.127 315 S CA -1.127 57.181 58.200 0.181 0.000 0.863 315 S CB 2.355 65.635 63.200 0.134 0.000 1.121 315 S HN 0.563 nan 8.310 nan 0.000 0.479 316 K N 0.145 120.683 120.400 0.231 0.000 2.316 316 K HA 0.565 4.885 4.320 -0.000 0.000 0.251 316 K C 0.661 177.284 176.600 0.038 0.000 0.934 316 K CA -0.658 55.687 56.287 0.096 0.000 0.802 316 K CB 1.832 34.338 32.500 0.009 0.000 1.171 316 K HN 0.640 nan 8.250 nan 0.000 0.426 317 S N 1.281 116.986 115.700 0.008 0.000 2.354 317 S HA -0.166 4.304 4.470 -0.000 0.000 0.219 317 S C 1.522 176.093 174.600 -0.049 0.000 1.035 317 S CA 1.621 59.819 58.200 -0.004 0.000 1.037 317 S CB -0.372 62.827 63.200 -0.001 0.000 0.956 317 S HN 0.889 nan 8.310 nan 0.000 0.428 318 G N 0.528 109.270 108.800 -0.097 0.000 2.707 318 G HA2 0.377 4.337 3.960 -0.000 0.000 0.204 318 G HA3 0.377 4.337 3.960 -0.000 0.000 0.204 318 G C 0.576 175.298 174.900 -0.297 0.000 1.435 318 G CA 0.428 45.443 45.100 -0.141 0.000 0.890 318 G HN 1.303 nan 8.290 nan 0.000 0.552 319 G N -2.388 106.110 108.800 -0.503 0.000 2.788 319 G HA2 0.297 4.257 3.960 -0.000 0.000 0.686 319 G HA3 0.297 4.257 3.960 -0.000 0.000 0.686 319 G C -0.765 173.841 174.900 -0.490 0.000 1.147 319 G CA 0.163 44.582 45.100 -1.135 0.000 0.755 319 G HN 0.717 nan 8.290 nan 0.000 0.634 320 Q N -0.491 119.137 119.800 -0.286 0.000 2.870 320 Q HA 0.796 5.136 4.340 -0.000 0.000 0.366 320 Q C 1.490 177.610 176.000 0.202 0.000 0.738 320 Q CA 0.051 55.870 55.803 0.027 0.000 0.870 320 Q CB 0.624 29.352 28.738 -0.016 0.000 1.237 320 Q HN 1.479 nan 8.270 nan 0.000 0.497 321 A N 0.391 123.281 122.820 0.117 0.000 1.889 321 A HA 0.235 4.555 4.320 -0.000 0.000 0.209 321 A C 0.852 178.504 177.584 0.114 0.000 1.315 321 A CA 1.455 53.557 52.037 0.108 0.000 0.611 321 A CB -1.260 17.775 19.000 0.059 0.000 0.950 321 A HN 0.508 nan 8.150 nan 0.000 0.477 322 G N -0.966 107.875 108.800 0.069 0.000 2.350 322 G HA2 0.456 4.416 3.960 -0.000 0.000 0.306 322 G HA3 0.456 4.416 3.960 -0.000 0.000 0.306 322 G C -0.580 174.352 174.900 0.054 0.000 1.094 322 G CA -0.048 45.087 45.100 0.057 0.000 0.953 322 G HN 0.321 nan 8.290 nan 0.000 0.420 323 D N 0.620 121.067 120.400 0.078 0.000 2.473 323 D HA 0.037 4.677 4.640 -0.000 0.000 0.242 323 D C 0.344 176.676 176.300 0.053 0.000 1.106 323 D CA 0.181 54.215 54.000 0.057 0.000 0.854 323 D CB 0.354 41.185 40.800 0.052 0.000 1.192 323 D HN 0.341 nan 8.370 nan 0.000 0.503 324 Q N 0.760 120.591 119.800 0.052 0.000 2.499 324 Q HA -0.186 4.154 4.340 -0.000 0.000 0.262 324 Q C -0.345 175.676 176.000 0.035 0.000 1.328 324 Q CA 0.789 56.599 55.803 0.012 0.000 0.794 324 Q CB -1.407 27.320 28.738 -0.018 0.000 0.888 324 Q HN 0.443 nan 8.270 nan 0.000 0.305 325 M N 1.036 120.674 119.600 0.064 0.000 2.157 325 M HA 0.548 5.028 4.480 -0.000 0.000 0.354 325 M C 0.265 176.618 176.300 0.089 0.000 1.170 325 M CA -0.453 54.934 55.300 0.144 0.000 1.060 325 M CB 1.833 34.603 32.600 0.283 0.000 1.615 325 M HN 0.487 nan 8.290 nan 0.000 0.460 326 S N 2.979 118.748 115.700 0.116 0.000 2.541 326 S HA 0.868 5.338 4.470 -0.000 0.000 0.280 326 S C -1.464 173.270 174.600 0.223 0.000 1.112 326 S CA -0.834 57.392 58.200 0.043 0.000 0.925 326 S CB 1.748 64.922 63.200 -0.043 0.000 1.067 326 S HN 0.969 nan 8.310 nan 0.000 0.479 327 W N 0.169 121.654 121.300 0.309 0.000 3.118 327 W HA 0.720 5.380 4.660 -0.000 0.000 0.328 327 W C -1.227 175.424 176.519 0.221 0.000 1.239 327 W CA -0.870 56.622 57.345 0.245 0.000 1.176 327 W CB 1.248 30.871 29.460 0.271 0.000 1.433 327 W HN 0.709 nan 8.180 nan 0.000 0.562 328 S N 1.060 117.117 115.700 0.595 0.000 2.509 328 S HA 0.808 5.278 4.470 -0.000 0.000 0.297 328 S C -0.720 174.157 174.600 0.461 0.000 1.118 328 S CA -0.221 58.227 58.200 0.414 0.000 1.074 328 S CB 1.009 64.329 63.200 0.199 0.000 1.038 328 S HN 0.834 nan 8.310 nan 0.000 0.498 329 A N 4.454 127.493 122.820 0.364 0.000 2.414 329 A HA 0.871 5.191 4.320 -0.000 0.000 0.306 329 A C -0.605 176.964 177.584 -0.025 0.000 1.054 329 A CA -0.783 51.234 52.037 -0.035 0.000 0.724 329 A CB 1.445 20.394 19.000 -0.085 0.000 1.267 329 A HN 0.746 nan 8.150 nan 0.000 0.418 330 R N 0.759 121.156 120.500 -0.171 0.000 2.651 330 R HA 0.683 5.023 4.340 -0.000 0.000 0.278 330 R C -0.584 175.642 176.300 -0.125 0.000 1.010 330 R CA 0.334 56.383 56.100 -0.085 0.000 0.896 330 R CB 2.196 32.469 30.300 -0.045 0.000 1.211 330 R HN 2.068 nan 8.270 nan 0.000 0.456 331 G N 0.912 109.659 108.800 -0.089 0.000 2.333 331 G HA2 0.095 4.055 3.960 -0.000 0.000 0.330 331 G HA3 0.095 4.055 3.960 -0.000 0.000 0.330 331 G C -1.720 173.110 174.900 -0.117 0.000 1.465 331 G CA -0.645 44.400 45.100 -0.092 0.000 0.996 331 G HN 0.565 nan 8.290 nan 0.000 0.655 332 S N -0.529 115.098 115.700 -0.122 0.000 2.566 332 S HA 0.881 5.351 4.470 -0.000 0.000 0.298 332 S C -0.278 174.205 174.600 -0.195 0.000 1.083 332 S CA -0.959 57.141 58.200 -0.167 0.000 0.978 332 S CB 2.088 65.208 63.200 -0.132 0.000 1.073 332 S HN 0.767 nan 8.310 nan 0.000 0.491 333 L N 0.925 121.994 121.223 -0.257 0.000 2.319 333 L HA 0.886 5.226 4.340 -0.000 0.000 0.267 333 L C -0.257 176.522 176.870 -0.151 0.000 1.011 333 L CA -1.126 53.555 54.840 -0.264 0.000 0.818 333 L CB 1.781 43.599 42.059 -0.402 0.000 1.316 333 L HN 0.846 nan 8.230 nan 0.000 0.432 334 A N 1.668 124.436 122.820 -0.087 0.000 2.330 334 A HA 0.720 5.040 4.320 -0.000 0.000 0.313 334 A C -0.898 176.691 177.584 0.009 0.000 1.124 334 A CA -0.471 51.550 52.037 -0.028 0.000 0.774 334 A CB 1.503 20.492 19.000 -0.017 0.000 1.198 334 A HN 0.369 nan 8.150 nan 0.000 0.465 335 V N 2.832 122.781 119.914 0.059 0.000 2.328 335 V HA 0.403 4.523 4.120 -0.000 0.000 0.278 335 V C 0.106 176.249 176.094 0.081 0.000 1.021 335 V CA -0.225 62.131 62.300 0.092 0.000 0.838 335 V CB 1.186 33.098 31.823 0.149 0.000 0.999 335 V HN 0.872 nan 8.190 nan 0.000 0.447 336 T N 7.027 121.569 114.554 -0.020 0.000 2.743 336 T HA 0.485 4.835 4.350 -0.000 0.000 0.292 336 T C -0.025 174.530 174.700 -0.243 0.000 0.972 336 T CA -0.148 61.880 62.100 -0.120 0.000 0.967 336 T CB 0.656 69.434 68.868 -0.150 0.000 0.926 336 T HN 0.615 nan 8.240 nan 0.000 0.459 337 I N 1.852 122.333 120.570 -0.148 0.000 2.312 337 I HA 0.407 4.577 4.170 -0.000 0.000 0.290 337 I C -0.249 175.785 176.117 -0.138 0.000 1.008 337 I CA -0.804 60.405 61.300 -0.151 0.000 1.226 337 I CB 0.698 38.714 38.000 0.027 0.000 1.371 337 I HN 0.547 nan 8.210 nan 0.000 0.468 338 H N 5.357 124.453 119.070 0.043 0.000 2.886 338 H HA 0.133 4.689 4.556 -0.000 0.000 0.329 338 H C 1.474 176.815 175.328 0.020 0.000 1.044 338 H CA 1.057 57.122 56.048 0.027 0.000 1.456 338 H CB 0.867 30.641 29.762 0.021 0.000 1.464 338 H HN 1.028 nan 8.280 nan 0.000 0.573 339 G N 2.689 111.570 108.800 0.134 0.000 2.180 339 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.263 339 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.263 339 G C 1.550 176.501 174.900 0.085 0.000 0.989 339 G CA 0.830 45.978 45.100 0.080 0.000 0.692 339 G HN 0.867 nan 8.290 nan 0.000 0.526 340 G N 0.114 108.954 108.800 0.065 0.000 2.450 340 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.220 340 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.220 340 G C 1.329 176.262 174.900 0.054 0.000 1.130 340 G CA 1.301 46.435 45.100 0.056 0.000 0.760 340 G HN 0.518 nan 8.290 nan 0.000 0.557 341 N N -0.863 117.862 118.700 0.042 0.000 2.336 341 N HA 0.061 4.801 4.740 -0.000 0.000 0.189 341 N C -0.276 175.263 175.510 0.047 0.000 1.113 341 N CA -0.475 52.586 53.050 0.019 0.000 0.858 341 N CB -0.111 38.364 38.487 -0.020 0.000 0.970 341 N HN 0.430 nan 8.380 nan 0.000 0.471 342 Y N 2.714 122.997 120.300 -0.029 0.000 2.605 342 Y HA 0.142 4.692 4.550 -0.000 0.000 0.336 342 Y C -2.104 173.771 175.900 -0.041 0.000 1.111 342 Y CA -2.015 56.063 58.100 -0.037 0.000 1.422 342 Y CB 0.496 38.926 38.460 -0.050 0.000 1.193 342 Y HN 0.004 nan 8.280 nan 0.000 0.526 343 P HA 0.078 nan 4.420 nan 0.000 0.260 343 P C 0.530 177.755 177.300 -0.125 0.000 1.185 343 P CA 1.950 64.903 63.100 -0.246 0.000 0.763 343 P CB 0.485 31.988 31.700 -0.329 0.000 0.776 344 G N 3.262 112.079 108.800 0.029 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 1.209 176.226 174.900 0.196 0.000 1.023 344 G CA 0.333 45.511 45.100 0.130 0.000 0.626 344 G HN 0.613 nan 8.290 nan 0.000 0.503 345 A N -0.210 122.709 122.820 0.164 0.000 1.969 345 A HA 0.539 4.859 4.320 -0.000 0.000 0.218 345 A C 2.185 179.891 177.584 0.203 0.000 1.169 345 A CA 2.044 54.139 52.037 0.097 0.000 0.635 345 A CB -0.196 18.840 19.000 0.060 0.000 0.810 345 A HN 0.980 nan 8.150 nan 0.000 0.445 346 L N -3.790 117.535 121.223 0.171 0.000 3.316 346 L HA 0.202 4.542 4.340 -0.000 0.000 0.300 346 L C 2.053 179.052 176.870 0.215 0.000 1.128 346 L CA 0.199 55.138 54.840 0.164 0.000 1.111 346 L CB 0.067 42.204 42.059 0.130 0.000 1.687 346 L HN 0.296 nan 8.230 nan 0.000 0.594 347 R N 1.737 122.334 120.500 0.160 0.000 2.072 347 R HA 0.080 4.420 4.340 -0.000 0.000 0.221 347 R C -1.771 174.595 176.300 0.111 0.000 1.166 347 R CA 0.689 56.848 56.100 0.098 0.000 0.917 347 R CB -0.903 29.410 30.300 0.022 0.000 0.815 347 R HN 0.018 nan 8.270 nan 0.000 0.444 348 P HA 0.123 nan 4.420 nan 0.000 0.275 348 P C -1.303 176.110 177.300 0.189 0.000 1.227 348 P CA 0.143 63.292 63.100 0.082 0.000 0.781 348 P CB 1.508 33.234 31.700 0.044 0.000 0.906 349 V N 3.312 123.342 119.914 0.194 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 0.126 0.000 1.042 349 V CA -0.287 62.120 62.300 0.179 0.000 0.877 349 V CB 2.242 34.191 31.823 0.209 0.000 0.996 349 V HN 0.468 nan 8.190 nan 0.000 0.425 350 T N 6.047 120.648 114.554 0.079 0.000 2.770 350 T HA 0.628 4.978 4.350 -0.000 0.000 0.283 350 T C -0.612 174.121 174.700 0.054 0.000 0.988 350 T CA -0.280 61.876 62.100 0.093 0.000 0.957 350 T CB 0.915 69.861 68.868 0.131 0.000 0.930 350 T HN 0.233 nan 8.240 nan 0.000 0.443 351 L N 4.099 125.327 121.223 0.008 0.000 2.295 351 L HA 0.555 4.895 4.340 -0.000 0.000 0.285 351 L C -0.352 176.525 176.870 0.011 0.000 1.035 351 L CA -0.419 54.387 54.840 -0.056 0.000 0.806 351 L CB 1.685 43.677 42.059 -0.110 0.000 1.214 351 L HN 0.384 nan 8.230 nan 0.000 0.426 352 V N 3.423 123.354 119.914 0.027 0.000 2.326 352 V HA 0.749 4.869 4.120 -0.000 0.000 0.281 352 V C 0.082 176.255 176.094 0.130 0.000 1.015 352 V CA -0.670 61.694 62.300 0.108 0.000 0.823 352 V CB 1.265 33.214 31.823 0.211 0.000 1.009 352 V HN 0.828 nan 8.190 nan 0.000 0.436 353 A N 5.570 128.464 122.820 0.123 0.000 2.317 353 A HA 0.915 5.235 4.320 -0.000 0.000 0.327 353 A C -0.898 176.919 177.584 0.388 0.000 1.178 353 A CA -0.482 51.662 52.037 0.179 0.000 0.817 353 A CB 0.845 19.926 19.000 0.134 0.000 1.189 353 A HN 0.977 nan 8.150 nan 0.000 0.489 354 Y N -0.019 120.476 120.300 0.324 0.000 2.524 354 Y HA 0.796 5.346 4.550 -0.000 0.000 0.344 354 Y C -0.307 175.660 175.900 0.112 0.000 1.012 354 Y CA -0.946 57.313 58.100 0.266 0.000 1.068 354 Y CB 1.362 39.916 38.460 0.156 0.000 1.249 354 Y HN 0.850 nan 8.280 nan 0.000 0.468 355 E N 0.765 120.979 120.200 0.023 0.000 2.412 355 E HA 0.565 4.915 4.350 -0.000 0.000 0.279 355 E C -0.561 175.990 176.600 -0.080 0.000 0.984 355 E CA -1.288 55.007 56.400 -0.176 0.000 0.788 355 E CB 1.523 30.884 29.700 -0.565 0.000 1.277 355 E HN 0.581 nan 8.360 nan 0.000 0.455 356 R N -0.893 119.572 120.500 -0.058 0.000 3.989 356 R HA -0.102 4.238 4.340 -0.000 0.000 0.377 356 R C -0.441 175.874 176.300 0.025 0.000 1.158 356 R CA 0.856 56.938 56.100 -0.028 0.000 1.035 356 R CB -2.821 27.445 30.300 -0.057 0.000 1.557 356 R HN 0.485 nan 8.270 nan 0.000 0.551 357 V N 1.408 121.371 119.914 0.081 0.000 2.614 357 V HA 0.436 4.556 4.120 -0.000 0.000 0.291 357 V C 1.452 177.580 176.094 0.057 0.000 1.049 357 V CA -0.041 62.305 62.300 0.077 0.000 1.038 357 V CB 1.531 33.418 31.823 0.107 0.000 0.980 357 V HN 0.365 nan 8.190 nan 0.000 0.481 358 A N 3.868 126.707 122.820 0.031 0.000 2.511 358 A HA 0.323 4.643 4.320 -0.000 0.000 0.242 358 A C 0.767 178.370 177.584 0.031 0.000 1.069 358 A CA -0.001 52.050 52.037 0.024 0.000 0.763 358 A CB -0.305 18.703 19.000 0.013 0.000 1.001 358 A HN 0.866 nan 8.150 nan 0.000 0.498 359 T N 1.873 116.446 114.554 0.031 0.000 2.908 359 T HA 0.400 4.750 4.350 -0.000 0.000 0.301 359 T C 1.546 176.261 174.700 0.026 0.000 1.019 359 T CA 1.619 63.740 62.100 0.036 0.000 1.152 359 T CB 0.409 69.293 68.868 0.027 0.000 0.966 359 T HN 2.026 nan 8.240 nan 0.000 0.540 360 G N 2.708 111.525 108.800 0.030 0.000 2.195 360 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.246 360 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.246 360 G C 0.377 175.282 174.900 0.009 0.000 0.984 360 G CA 0.113 45.225 45.100 0.019 0.000 0.633 360 G HN 1.133 nan 8.290 nan 0.000 0.525 361 S N -0.690 115.013 115.700 0.004 0.000 2.632 361 S HA 0.718 5.188 4.470 -0.000 0.000 0.267 361 S C 0.149 174.729 174.600 -0.034 0.000 1.276 361 S CA -0.269 57.923 58.200 -0.014 0.000 0.998 361 S CB 2.491 65.681 63.200 -0.017 0.000 0.953 361 S HN 0.983 nan 8.310 nan 0.000 0.547 362 V N 1.921 121.808 119.914 -0.045 0.000 2.394 362 V HA 0.348 4.468 4.120 -0.000 0.000 0.282 362 V C -0.256 175.775 176.094 -0.106 0.000 1.031 362 V CA -0.753 61.509 62.300 -0.063 0.000 0.881 362 V CB 1.292 33.092 31.823 -0.039 0.000 0.982 362 V HN 0.774 nan 8.190 nan 0.000 0.451 363 V N 4.629 124.441 119.914 -0.170 0.000 2.364 363 V HA 0.310 4.430 4.120 -0.000 0.000 0.272 363 V C 0.478 176.489 176.094 -0.138 0.000 1.036 363 V CA -0.086 62.082 62.300 -0.221 0.000 0.880 363 V CB 1.642 33.198 31.823 -0.444 0.000 0.991 363 V HN 0.970 nan 8.190 nan 0.000 0.460 364 T N 5.279 119.788 114.554 -0.076 0.000 2.767 364 T HA 0.535 4.885 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 -0.273 61.814 62.100 -0.022 0.000 1.019 364 T CB 1.424 70.283 68.868 -0.014 0.000 0.923 364 T HN 0.333 nan 8.240 nan 0.000 0.468 365 V N 2.640 122.593 119.914 0.066 0.000 2.459 365 V HA 0.837 4.957 4.120 -0.000 0.000 0.295 365 V C -0.099 176.062 176.094 0.112 0.000 1.029 365 V CA -0.817 61.560 62.300 0.129 0.000 0.874 365 V CB 1.421 33.383 31.823 0.230 0.000 0.985 365 V HN 1.070 nan 8.190 nan 0.000 0.438 366 A N 3.393 126.257 122.820 0.072 0.000 2.427 366 A HA 0.971 5.291 4.320 -0.000 0.000 0.298 366 A C -0.173 177.420 177.584 0.016 0.000 1.036 366 A CA -0.011 52.051 52.037 0.041 0.000 0.701 366 A CB 1.893 20.903 19.000 0.016 0.000 1.250 366 A HN 1.213 nan 8.150 nan 0.000 0.412 367 G N -0.316 108.497 108.800 0.022 0.000 2.690 367 G HA2 0.637 4.597 3.960 -0.000 0.000 0.291 367 G HA3 0.637 4.597 3.960 -0.000 0.000 0.291 367 G C -1.780 173.125 174.900 0.007 0.000 1.403 367 G CA -0.558 44.534 45.100 -0.013 0.000 0.864 367 G HN 1.129 nan 8.290 nan 0.000 0.480 368 V N 0.275 120.180 119.914 -0.015 0.000 2.638 368 V HA 0.687 4.807 4.120 -0.000 0.000 0.306 368 V C -0.255 175.820 176.094 -0.031 0.000 1.052 368 V CA -0.710 61.591 62.300 0.002 0.000 0.885 368 V CB 1.908 33.730 31.823 -0.001 0.000 0.999 368 V HN 0.757 nan 8.190 nan 0.000 0.424 369 S N 4.098 119.789 115.700 -0.015 0.000 2.482 369 S HA 0.582 5.052 4.470 -0.000 0.000 0.303 369 S C -0.642 173.766 174.600 -0.321 0.000 1.091 369 S CA -0.810 57.283 58.200 -0.177 0.000 1.057 369 S CB 1.184 64.352 63.200 -0.054 0.000 1.031 369 S HN 0.752 nan 8.310 nan 0.000 0.485 370 N N 1.703 120.087 118.700 -0.526 0.000 2.321 370 N HA 0.610 5.350 4.740 -0.000 0.000 0.299 370 N C -1.500 173.647 175.510 -0.605 0.000 1.048 370 N CA -0.229 52.601 53.050 -0.366 0.000 0.836 370 N CB 1.404 39.808 38.487 -0.137 0.000 1.269 370 N HN 0.405 nan 8.380 nan 0.000 0.486 371 F N 0.015 119.985 119.950 0.032 0.000 2.576 371 F HA 0.332 4.859 4.527 0.000 0.000 0.313 371 F C 0.487 176.293 175.800 0.011 0.000 1.078 371 F CA -0.876 57.126 58.000 0.002 0.000 0.921 371 F CB 1.904 40.877 39.000 -0.044 0.000 1.232 371 F HN 0.148 nan 8.300 nan 0.000 0.459 372 E N 2.986 123.291 120.200 0.175 0.000 2.227 372 E HA 0.606 4.956 4.350 -0.000 0.000 0.282 372 E C -1.149 175.583 176.600 0.221 0.000 1.015 372 E CA -0.430 56.056 56.400 0.143 0.000 0.823 372 E CB 1.567 31.167 29.700 -0.167 0.000 1.081 372 E HN 0.414 nan 8.360 nan 0.000 0.396 373 L N 3.681 125.060 121.223 0.260 0.000 2.388 373 L HA 0.556 4.896 4.340 -0.000 0.000 0.264 373 L C -0.656 176.389 176.870 0.291 0.000 0.998 373 L CA -0.825 54.107 54.840 0.152 0.000 0.817 373 L CB 1.859 43.682 42.059 -0.393 0.000 1.338 373 L HN 0.429 nan 8.230 nan 0.000 0.414 374 I N 3.398 124.171 120.570 0.338 0.000 2.362 374 I HA 0.355 4.525 4.170 -0.000 0.000 0.289 374 I C -2.218 174.135 176.117 0.393 0.000 0.994 374 I CA -2.010 59.465 61.300 0.292 0.000 1.158 374 I CB 1.973 40.089 38.000 0.193 0.000 1.315 374 I HN 0.245 nan 8.210 nan 0.000 0.451 375 P HA 0.059 nan 4.420 nan 0.000 0.272 375 P C -0.983 176.354 177.300 0.060 0.000 1.223 375 P CA -0.344 62.851 63.100 0.158 0.000 0.784 375 P CB 0.280 32.013 31.700 0.055 0.000 0.923 376 N N 2.406 121.072 118.700 -0.055 0.000 2.354 376 N HA 0.081 4.821 4.740 -0.000 0.000 0.246 376 N C -1.977 173.514 175.510 -0.032 0.000 1.285 376 N CA -1.619 51.408 53.050 -0.037 0.000 0.925 376 N CB -1.360 37.081 38.487 -0.077 0.000 1.174 376 N HN 0.152 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 1.505 64.597 63.100 -0.014 0.000 0.843 377 P CB 0.201 31.895 31.700 -0.010 0.000 0.787 378 E N -0.956 119.220 120.200 -0.041 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 0.737 57.111 56.400 -0.043 0.000 0.803 378 E CB -1.037 28.635 29.700 -0.047 0.000 0.755 378 E HN 0.016 nan 8.360 nan 0.000 0.453 379 L N -0.027 121.147 121.223 -0.081 0.000 2.156 379 L HA 0.117 4.457 4.340 -0.000 0.000 0.208 379 L C 2.034 178.873 176.870 -0.051 0.000 1.095 379 L CA 1.480 56.264 54.840 -0.093 0.000 0.770 379 L CB -0.667 41.276 42.059 -0.192 0.000 0.914 379 L HN 0.180 nan 8.230 nan 0.000 0.439 380 A N -0.873 121.925 122.820 -0.035 0.000 2.131 380 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 380 A C 2.176 179.753 177.584 -0.011 0.000 1.158 380 A CA 1.537 53.569 52.037 -0.010 0.000 0.665 380 A CB -0.525 18.474 19.000 -0.002 0.000 0.795 380 A HN 0.477 nan 8.150 nan 0.000 0.460 381 K N -0.799 119.591 120.400 -0.017 0.000 2.366 381 K HA 0.017 4.337 4.320 -0.000 0.000 0.198 381 K C 0.373 176.967 176.600 -0.010 0.000 1.044 381 K CA 0.844 57.123 56.287 -0.013 0.000 0.973 381 K CB 0.057 32.548 32.500 -0.015 0.000 0.767 381 K HN 0.389 nan 8.250 nan 0.000 0.475 382 N N -0.165 118.529 118.700 -0.010 0.000 2.118 382 N HA 0.047 4.787 4.740 -0.000 0.000 0.226 382 N C -1.014 174.499 175.510 0.004 0.000 1.305 382 N CA -0.049 52.998 53.050 -0.005 0.000 0.890 382 N CB 1.078 39.560 38.487 -0.008 0.000 1.118 382 N HN -0.017 nan 8.380 nan 0.000 0.511 383 L N 2.511 123.739 121.223 0.008 0.000 2.318 383 L HA 0.440 4.780 4.340 -0.000 0.000 0.277 383 L C -0.312 176.571 176.870 0.021 0.000 1.008 383 L CA -0.565 54.292 54.840 0.028 0.000 0.846 383 L CB 1.220 43.310 42.059 0.050 0.000 1.220 383 L HN -0.276 nan 8.230 nan 0.000 0.423 384 V N 4.107 124.029 119.914 0.013 0.000 2.585 384 V HA 0.240 4.360 4.120 -0.000 0.000 0.296 384 V C 0.847 176.932 176.094 -0.017 0.000 1.035 384 V CA 0.016 62.312 62.300 -0.006 0.000 1.084 384 V CB 1.238 33.056 31.823 -0.007 0.000 0.953 384 V HN 0.908 nan 8.190 nan 0.000 0.483 385 T N 2.493 117.017 114.554 -0.050 0.000 2.912 385 T HA 0.811 5.161 4.350 -0.000 0.000 0.288 385 T C -0.755 173.844 174.700 -0.168 0.000 1.030 385 T CA -0.904 61.139 62.100 -0.096 0.000 1.020 385 T CB 2.292 71.106 68.868 -0.091 0.000 1.056 385 T HN 0.679 nan 8.240 nan 0.000 0.480 386 E N 0.156 120.208 120.200 -0.248 0.000 2.408 386 E HA 0.361 4.711 4.350 -0.000 0.000 0.275 386 E C -1.276 175.117 176.600 -0.345 0.000 0.935 386 E CA -0.980 55.268 56.400 -0.254 0.000 0.775 386 E CB 1.835 31.454 29.700 -0.135 0.000 1.277 386 E HN 0.650 nan 8.360 nan 0.000 0.455 387 Y N 0.500 120.758 120.300 -0.069 0.000 2.480 387 Y HA 0.232 4.782 4.550 -0.000 0.000 0.338 387 Y C 1.426 177.323 175.900 -0.005 0.000 1.220 387 Y CA 0.192 58.291 58.100 -0.000 0.000 1.430 387 Y CB 0.526 39.002 38.460 0.026 0.000 1.311 387 Y HN 0.604 nan 8.280 nan 0.000 0.575 388 G N 2.796 111.781 108.800 0.309 0.000 2.559 388 G HA2 0.069 4.029 3.960 -0.000 0.000 0.235 388 G HA3 0.069 4.029 3.960 -0.000 0.000 0.235 388 G C -0.220 174.797 174.900 0.196 0.000 1.266 388 G CA -0.886 44.369 45.100 0.259 0.000 0.847 388 G HN 0.436 nan 8.290 nan 0.000 0.583 389 R N -0.143 120.448 120.500 0.152 0.000 2.538 389 R HA -0.009 4.331 4.340 -0.000 0.000 0.282 389 R C -0.334 176.076 176.300 0.183 0.000 1.009 389 R CA -0.440 55.745 56.100 0.142 0.000 1.063 389 R CB 0.014 30.370 30.300 0.093 0.000 0.945 389 R HN 0.381 nan 8.270 nan 0.000 0.414 390 F N 4.858 124.828 119.950 0.033 0.000 2.421 390 F HA 0.168 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 -1.401 56.610 58.000 0.017 0.000 1.160 390 F CB 0.462 39.466 39.000 0.007 0.000 1.123 390 F HN 0.482 nan 8.300 nan 0.000 0.508 391 D N 8.085 128.179 120.400 -0.509 0.000 2.620 391 D HA 0.323 4.963 4.640 -0.000 0.000 0.252 391 D C -3.290 172.593 176.300 -0.696 0.000 1.207 391 D CA -2.040 51.547 54.000 -0.689 0.000 0.884 391 D CB 1.744 42.365 40.800 -0.298 0.000 1.262 391 D HN 0.216 nan 8.370 nan 0.000 0.552 392 P HA 0.285 nan 4.420 nan 0.000 0.274 392 P C 1.010 178.199 177.300 -0.185 0.000 1.231 392 P CA 0.443 63.303 63.100 -0.401 0.000 0.790 392 P CB 1.094 32.644 31.700 -0.249 0.000 0.951 393 G N 1.402 110.164 108.800 -0.063 0.000 2.234 393 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.260 393 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.260 393 G C 1.124 176.047 174.900 0.038 0.000 0.987 393 G CA 0.712 45.812 45.100 0.000 0.000 0.625 393 G HN 0.737 nan 8.290 nan 0.000 0.532 394 A N -0.480 122.333 122.820 -0.013 0.000 1.877 394 A HA 0.203 4.523 4.320 -0.000 0.000 0.216 394 A C 2.274 179.923 177.584 0.109 0.000 1.186 394 A CA 2.836 54.903 52.037 0.050 0.000 0.620 394 A CB -0.371 18.624 19.000 -0.008 0.000 0.822 394 A HN 1.149 nan 8.150 nan 0.000 0.443 395 M N 0.854 120.468 119.600 0.023 0.000 2.132 395 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 395 M C 1.545 177.895 176.300 0.083 0.000 1.065 395 M CA 1.738 57.046 55.300 0.013 0.000 1.122 395 M CB -0.957 31.618 32.600 -0.041 0.000 1.365 395 M HN 0.513 nan 8.290 nan 0.000 0.411 396 N N -1.332 117.422 118.700 0.090 0.000 2.166 396 N HA -0.217 4.523 4.740 -0.000 0.000 0.186 396 N C 1.735 177.323 175.510 0.130 0.000 1.019 396 N CA 1.605 54.713 53.050 0.097 0.000 0.856 396 N CB -0.406 38.135 38.487 0.088 0.000 0.993 396 N HN 0.428 nan 8.380 nan 0.000 0.426 397 Y N 2.342 122.674 120.300 0.053 0.000 2.200 397 Y HA -0.161 4.389 4.550 -0.000 0.000 0.290 397 Y C 2.525 178.483 175.900 0.096 0.000 1.137 397 Y CA 1.410 59.552 58.100 0.070 0.000 1.163 397 Y CB -0.470 38.033 38.460 0.071 0.000 0.988 397 Y HN -0.034 nan 8.280 nan 0.000 0.518 398 T N 0.196 114.880 114.554 0.218 0.000 2.708 398 T HA -0.203 4.147 4.350 -0.000 0.000 0.266 398 T C 1.802 176.565 174.700 0.105 0.000 1.037 398 T CA 1.916 64.134 62.100 0.196 0.000 1.146 398 T CB -0.200 68.858 68.868 0.317 0.000 0.865 398 T HN 0.266 nan 8.240 nan 0.000 0.435 399 K N 0.379 120.835 120.400 0.094 0.000 2.057 399 K HA -0.015 4.306 4.320 -0.000 0.000 0.207 399 K C 2.200 178.802 176.600 0.003 0.000 1.049 399 K CA 0.855 57.179 56.287 0.062 0.000 0.931 399 K CB -0.346 32.191 32.500 0.062 0.000 0.714 399 K HN 0.138 nan 8.250 nan 0.000 0.440 400 L N 1.311 122.507 121.223 -0.045 0.000 1.994 400 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 400 L C 1.899 178.693 176.870 -0.127 0.000 1.071 400 L CA 1.577 56.359 54.840 -0.096 0.000 0.745 400 L CB -0.376 41.591 42.059 -0.154 0.000 0.892 400 L HN 0.083 nan 8.230 nan 0.000 0.431 401 I N -0.281 120.169 120.570 -0.200 0.000 2.127 401 I HA -0.319 3.851 4.170 -0.000 0.000 0.241 401 I C 2.599 178.682 176.117 -0.057 0.000 1.075 401 I CA 1.662 62.869 61.300 -0.155 0.000 1.334 401 I CB -1.270 36.630 38.000 -0.166 0.000 1.040 401 I HN 0.323 nan 8.210 nan 0.000 0.405 402 L N 0.026 121.236 121.223 -0.022 0.000 2.093 402 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 402 L C 2.698 179.557 176.870 -0.018 0.000 1.085 402 L CA 1.399 56.237 54.840 -0.004 0.000 0.755 402 L CB -0.606 41.470 42.059 0.028 0.000 0.904 402 L HN 0.276 nan 8.230 nan 0.000 0.435 403 S N -0.222 115.466 115.700 -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 1.195 59.382 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 0.635 120.818 120.200 -0.029 0.000 2.499 404 E HA 0.158 4.508 4.350 -0.000 0.000 0.199 404 E C 1.529 178.116 176.600 -0.022 0.000 1.016 404 E CA -0.270 56.116 56.400 -0.022 0.000 0.933 404 E CB -0.009 29.680 29.700 -0.018 0.000 1.050 404 E HN 0.505 nan 8.360 nan 0.000 0.462 405 R N 1.469 121.950 120.500 -0.031 0.000 2.112 405 R HA -0.199 4.141 4.340 -0.000 0.000 0.242 405 R C 0.896 177.159 176.300 -0.061 0.000 1.137 405 R CA 1.873 57.947 56.100 -0.043 0.000 0.944 405 R CB 0.106 30.374 30.300 -0.053 0.000 0.857 405 R HN 0.086 nan 8.270 nan 0.000 0.435 406 D N -0.270 120.094 120.400 -0.061 0.000 2.149 406 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 406 D C 2.027 178.293 176.300 -0.055 0.000 0.972 406 D CA 1.411 55.367 54.000 -0.073 0.000 0.835 406 D CB -0.218 40.543 40.800 -0.065 0.000 0.966 406 D HN 0.450 nan 8.370 nan 0.000 0.476 407 R N 0.784 121.266 120.500 -0.030 0.000 2.148 407 R HA 0.019 4.359 4.340 -0.000 0.000 0.223 407 R C 1.999 178.303 176.300 0.007 0.000 1.088 407 R CA 0.778 56.870 56.100 -0.012 0.000 0.985 407 R CB -0.432 29.867 30.300 -0.001 0.000 0.880 407 R HN 0.144 nan 8.270 nan 0.000 0.451 408 L N 0.338 121.571 121.223 0.016 0.000 2.446 408 L HA 0.278 4.618 4.340 -0.000 0.000 0.219 408 L C 0.911 177.805 176.870 0.041 0.000 1.116 408 L CA 0.514 55.397 54.840 0.071 0.000 0.844 408 L CB 0.008 42.131 42.059 0.107 0.000 0.970 408 L HN 0.630 nan 8.230 nan 0.000 0.457 409 G N 1.530 110.294 108.800 -0.060 0.000 2.272 409 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 409 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 409 G C 0.035 174.738 174.900 -0.329 0.000 1.067 409 G CA -0.203 44.793 45.100 -0.175 0.000 0.902 409 G HN 0.299 nan 8.290 nan 0.000 0.500 410 I N 0.817 121.237 120.570 -0.250 0.000 2.294 410 I HA 0.213 4.383 4.170 -0.000 0.000 0.295 410 I C 0.913 176.810 176.117 -0.365 0.000 1.098 410 I CA -0.041 61.105 61.300 -0.255 0.000 1.277 410 I CB 0.444 38.399 38.000 -0.074 0.000 1.434 410 I HN 0.083 nan 8.210 nan 0.000 0.498 411 K N 3.378 123.292 120.400 -0.809 0.000 2.087 411 K HA 0.337 4.657 4.320 -0.000 0.000 0.255 411 K C 1.145 177.511 176.600 -0.391 0.000 0.988 411 K CA -0.462 55.306 56.287 -0.864 0.000 0.915 411 K CB 1.234 32.774 32.500 -1.600 0.000 1.043 411 K HN 0.561 nan 8.250 nan 0.000 0.457 412 T N -3.110 111.289 114.554 -0.259 0.000 3.051 412 T HA 0.045 4.395 4.350 -0.000 0.000 0.255 412 T C 0.691 175.367 174.700 -0.039 0.000 1.085 412 T CA -0.110 61.947 62.100 -0.071 0.000 1.109 412 T CB -0.140 68.692 68.868 -0.060 0.000 0.921 412 T HN 0.372 nan 8.240 nan 0.000 0.488 413 V N -1.705 118.109 119.914 -0.168 0.000 2.577 413 V HA 0.811 4.931 4.120 -0.000 0.000 0.303 413 V C -1.808 174.200 176.094 -0.144 0.000 1.042 413 V CA -1.755 60.512 62.300 -0.055 0.000 0.872 413 V CB 0.894 32.694 31.823 -0.037 0.000 0.998 413 V HN 0.351 nan 8.190 nan 0.000 0.423 414 W N 3.584 124.839 121.300 -0.074 0.000 2.844 414 W HA 0.733 5.393 4.660 -0.000 0.000 0.340 414 W C -2.718 173.800 176.519 -0.002 0.000 1.093 414 W CA -2.510 54.816 57.345 -0.032 0.000 1.212 414 W CB 1.812 31.272 29.460 -0.000 0.000 1.422 414 W HN 0.344 nan 8.180 nan 0.000 0.515 415 P HA 0.073 nan 4.420 nan 0.000 0.271 415 P C 0.844 178.293 177.300 0.250 0.000 1.226 415 P CA 0.386 63.608 63.100 0.202 0.000 0.765 415 P CB 0.816 32.610 31.700 0.157 0.000 0.835 416 T N 2.810 117.469 114.554 0.175 0.000 2.699 416 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 416 T C 1.769 176.573 174.700 0.173 0.000 1.036 416 T CA 1.779 63.974 62.100 0.158 0.000 1.147 416 T CB -0.351 68.574 68.868 0.096 0.000 0.862 416 T HN 0.433 nan 8.240 nan 0.000 0.446 417 R N 1.463 122.047 120.500 0.141 0.000 2.091 417 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 417 R C 2.116 178.503 176.300 0.145 0.000 1.136 417 R CA 1.847 58.019 56.100 0.119 0.000 0.959 417 R CB -0.385 29.972 30.300 0.095 0.000 0.856 417 R HN 0.476 nan 8.270 nan 0.000 0.437 418 E N -1.170 119.155 120.200 0.210 0.000 2.152 418 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 418 E C 1.578 178.363 176.600 0.309 0.000 0.983 418 E CA 1.144 57.710 56.400 0.277 0.000 0.818 418 E CB -0.206 29.700 29.700 0.344 0.000 0.758 418 E HN 0.430 nan 8.360 nan 0.000 0.467 419 Y N 1.547 121.891 120.300 0.074 0.000 2.200 419 Y HA -0.182 4.368 4.550 0.000 0.000 0.290 419 Y C 2.357 178.160 175.900 -0.161 0.000 1.137 419 Y CA 1.638 59.490 58.100 -0.414 0.000 1.163 419 Y CB -0.338 37.726 38.460 -0.659 0.000 0.988 419 Y HN -0.110 nan 8.280 nan 0.000 0.518 420 T N 0.413 114.933 114.554 -0.058 0.000 2.684 420 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 420 T C 1.329 175.981 174.700 -0.080 0.000 1.036 420 T CA 1.754 63.800 62.100 -0.089 0.000 1.148 420 T CB -0.394 68.486 68.868 0.021 0.000 0.863 420 T HN 0.356 nan 8.240 nan 0.000 0.436 421 D N 0.445 120.853 120.400 0.013 0.000 2.123 421 D HA -0.067 4.573 4.640 -0.000 0.000 0.196 421 D C 1.664 178.012 176.300 0.081 0.000 0.992 421 D CA 0.736 54.771 54.000 0.058 0.000 0.833 421 D CB -0.500 40.358 40.800 0.097 0.000 0.954 421 D HN 0.366 nan 8.370 nan 0.000 0.455 422 F N 1.798 121.692 119.950 -0.094 0.000 2.095 422 F HA -0.158 4.369 4.527 0.000 0.000 0.298 422 F C 2.285 178.040 175.800 -0.074 0.000 1.104 422 F CA 1.446 59.404 58.000 -0.070 0.000 1.232 422 F CB -0.084 38.793 39.000 -0.204 0.000 0.987 422 F HN -0.204 nan 8.300 nan 0.000 0.475 423 R N 0.368 120.652 120.500 -0.360 0.000 2.096 423 R HA -0.242 4.098 4.340 -0.000 0.000 0.240 423 R C 2.364 178.537 176.300 -0.210 0.000 1.139 423 R CA 2.178 58.072 56.100 -0.343 0.000 0.952 423 R CB -0.791 29.303 30.300 -0.343 0.000 0.854 423 R HN 0.637 nan 8.270 nan 0.000 0.436 424 E N -0.612 119.506 120.200 -0.138 0.000 2.216 424 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 424 E C 1.649 178.199 176.600 -0.084 0.000 0.988 424 E CA 0.789 57.127 56.400 -0.103 0.000 0.834 424 E CB -0.295 29.371 29.700 -0.057 0.000 0.772 424 E HN 0.415 nan 8.360 nan 0.000 0.479 425 Y N 1.088 121.294 120.300 -0.155 0.000 2.130 425 Y HA -0.029 4.521 4.550 -0.000 0.000 0.287 425 Y C 1.112 176.928 175.900 -0.139 0.000 1.124 425 Y CA 0.951 58.984 58.100 -0.111 0.000 1.118 425 Y CB -0.260 38.176 38.460 -0.040 0.000 0.994 425 Y HN 0.091 nan 8.280 nan 0.000 0.497 426 F N 0.512 120.294 119.950 -0.279 0.000 2.521 426 F HA -0.006 4.521 4.527 0.000 0.000 0.298 426 F C 1.017 176.640 175.800 -0.295 0.000 1.289 426 F CA 0.205 57.982 58.000 -0.371 0.000 1.315 426 F CB 0.196 38.777 39.000 -0.699 0.000 1.257 426 F HN 0.134 nan 8.300 nan 0.000 0.541 427 M N 2.129 120.765 119.600 -1.608 0.000 2.212 427 M HA -0.258 4.222 4.480 -0.000 0.000 0.193 427 M C 0.276 176.261 176.300 -0.524 0.000 0.493 427 M CA 0.763 55.432 55.300 -1.052 0.000 0.427 427 M CB -1.117 31.082 32.600 -0.669 0.000 1.120 427 M HN 0.805 nan 8.290 nan 0.000 0.929 428 E N -1.085 118.840 120.200 -0.457 0.000 2.474 428 E HA 0.183 4.533 4.350 -0.000 0.000 0.195 428 E C -0.035 176.418 176.600 -0.245 0.000 1.039 428 E CA 0.133 56.352 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 0.401 nan 8.360 nan 0.000 0.486 429 V N 0.914 120.664 119.914 -0.273 0.000 2.483 429 V HA 0.573 4.693 4.120 -0.000 0.000 0.297 429 V C -0.666 175.309 176.094 -0.199 0.000 1.027 429 V CA -0.606 61.572 62.300 -0.203 0.000 0.855 429 V CB 1.625 33.348 31.823 -0.168 0.000 0.995 429 V HN 0.066 nan 8.190 nan 0.000 0.424 430 A N 3.060 125.791 122.820 -0.149 0.000 2.839 430 A HA 0.470 4.790 4.320 -0.000 0.000 0.303 430 A C -0.403 177.127 177.584 -0.090 0.000 1.181 430 A CA -0.308 51.658 52.037 -0.119 0.000 0.808 430 A CB 0.573 19.501 19.000 -0.121 0.000 1.391 430 A HN 0.635 nan 8.150 nan 0.000 0.433 431 D N 2.365 122.717 120.400 -0.080 0.000 2.615 431 D HA 0.409 5.049 4.640 -0.000 0.000 0.236 431 D C 1.153 177.421 176.300 -0.053 0.000 1.233 431 D CA 0.305 54.264 54.000 -0.068 0.000 0.829 431 D CB -0.485 40.273 40.800 -0.070 0.000 1.024 431 D HN 0.651 nan 8.370 nan 0.000 0.490 432 L N -1.490 119.704 121.223 -0.048 0.000 5.895 432 L HA -0.352 3.988 4.340 -0.000 0.000 0.053 432 L C 0.616 177.465 176.870 -0.035 0.000 2.741 432 L CA 1.243 56.061 54.840 -0.037 0.000 1.500 432 L CB -1.646 40.394 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 0.499 38.972 38.487 -0.023 0.000 1.563 433 N HN 1.150 nan 8.380 nan 0.000 0.613 434 S N 1.053 116.737 115.700 -0.027 0.000 2.560 434 S HA 0.501 4.971 4.470 -0.000 0.000 0.276 434 S C -1.252 173.337 174.600 -0.019 0.000 1.350 434 S CA -0.510 57.676 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 0.584 nan 8.310 nan 0.000 0.536 435 P HA -0.094 nan 4.420 nan 0.000 0.041 435 P C 0.190 177.483 177.300 -0.012 0.000 0.590 435 P CA 0.555 63.647 63.100 -0.014 0.000 1.019 435 P CB -0.687 31.006 31.700 -0.013 0.000 1.776 436 L N 0.570 121.786 121.223 -0.012 0.000 2.127 436 L HA -0.106 4.234 4.340 -0.000 0.000 0.203 436 L C 2.681 179.546 176.870 -0.009 0.000 1.080 436 L CA 1.645 56.479 54.840 -0.010 0.000 0.768 436 L CB -1.044 41.009 42.059 -0.010 0.000 0.924 436 L HN 0.071 nan 8.230 nan 0.000 0.444 437 K N 0.939 121.333 120.400 -0.010 0.000 2.362 437 K HA -0.114 4.206 4.320 -0.000 0.000 0.202 437 K C 1.524 178.119 176.600 -0.008 0.000 1.045 437 K CA 1.983 58.265 56.287 -0.009 0.000 0.936 437 K CB -0.822 31.672 32.500 -0.010 0.000 0.747 437 K HN 0.517 nan 8.250 nan 0.000 0.467 438 I N -1.858 118.707 120.570 -0.008 0.000 4.439 438 I HA 0.224 4.394 4.170 -0.000 0.000 0.331 438 I C 2.416 178.529 176.117 -0.007 0.000 1.345 438 I CA 0.419 61.714 61.300 -0.008 0.000 1.193 438 I CB 0.743 38.738 38.000 -0.008 0.000 1.221 438 I HN 0.219 nan 8.210 nan 0.000 0.429 439 A N 1.632 124.448 122.820 -0.007 0.000 1.862 439 A HA 0.025 4.345 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 2.139 54.172 52.037 -0.006 0.000 0.673 439 A CB -1.174 17.822 19.000 -0.005 0.000 0.843 439 A HN 0.416 nan 8.150 nan 0.000 0.458 440 G N 0.000 108.798 108.800 -0.004 0.000 5.446 440 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 440 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 440 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 440 G HN 0.000 nan 8.290 nan 0.000 0.925