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_E DATA FIRST_RESID 8 DATA SEQUENCE TQQIVPFIRS LLMPTTGPAS IPDDTLEKHT LRSETSTYNL TVGDTGSGLI DATA SEQUENCE VFFPGFPGSI VGAHYTLQGN GNYKFDQMLL TAQNLPASYN YCRLVSRSLT DATA SEQUENCE VRSSTLPGGV YALNGTINAV TFQGSLSELT DVSYNGLMSA TANINDKIGN DATA SEQUENCE VLVGEGVTVL SLPTSYDLGY VRLGDPIPAI GLDPKMVATC DSSDRPRVYT DATA SEQUENCE ITAADDYQFS SQYQPGGVTI TLFSANIDAI TSLSVGGELV FRTSVHGLVL DATA SEQUENCE GATIYLIGFD GTTVITRAVA ANNGLTTGTD NLMPFNLVIP TNEITQPITS DATA SEQUENCE IKLEIVTSKS GGQAGDQMSW SARGSLAVTI HGGNYPGALR PVTLVAYERV DATA SEQUENCE ATGSVVTVAG VSNFELIPNP ELAKNLVTEY GRFDPGAMNY TKLILSERDR DATA SEQUENCE LGIKTVWPTR EYTDFREYFM EVADLNSPLK IAG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.624 174.700 -0.127 0.000 1.109 8 T CA 0.000 62.013 62.100 -0.145 0.000 1.349 8 T CB 0.000 68.836 68.868 -0.053 0.000 0.612 9 Q N 0.455 120.161 119.800 -0.156 0.000 2.285 9 Q HA 0.865 5.205 4.340 -0.000 0.000 0.269 9 Q C 0.637 176.566 176.000 -0.117 0.000 1.030 9 Q CA 0.687 56.421 55.803 -0.115 0.000 0.788 9 Q CB 0.725 29.406 28.738 -0.095 0.000 1.266 9 Q HN 2.524 nan 8.270 nan 0.000 0.438 10 Q N 0.478 120.216 119.800 -0.102 0.000 2.363 10 Q HA -0.277 4.063 4.340 -0.000 0.000 0.409 10 Q C 1.120 177.044 176.000 -0.127 0.000 1.118 10 Q CA 4.429 60.171 55.803 -0.102 0.000 0.966 10 Q CB -2.634 26.056 28.738 -0.081 0.000 1.795 10 Q HN 2.313 nan 8.270 nan 0.000 0.941 11 I N -6.345 114.154 120.570 -0.118 0.000 3.519 11 I HA 0.733 4.903 4.170 -0.000 0.000 0.314 11 I C -0.590 175.458 176.117 -0.115 0.000 1.273 11 I CA -0.588 60.635 61.300 -0.129 0.000 1.108 11 I CB 1.741 39.672 38.000 -0.116 0.000 1.212 11 I HN 0.661 nan 8.210 nan 0.000 0.420 12 V N 1.737 121.613 119.914 -0.063 0.000 2.419 12 V HA 0.290 4.410 4.120 -0.000 0.000 0.287 12 V C -1.868 174.262 176.094 0.060 0.000 1.017 12 V CA -1.092 61.190 62.300 -0.030 0.000 0.844 12 V CB 1.095 32.879 31.823 -0.065 0.000 1.011 12 V HN 0.535 nan 8.190 nan 0.000 0.429 13 P HA -0.256 nan 4.420 nan 0.000 0.219 13 P C 1.584 178.959 177.300 0.125 0.000 1.158 13 P CA 1.685 64.833 63.100 0.081 0.000 0.895 13 P CB 0.115 31.863 31.700 0.081 0.000 0.792 14 F N -0.353 119.614 119.950 0.028 0.000 2.134 14 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 14 F C 2.041 177.882 175.800 0.067 0.000 1.097 14 F CA 1.292 59.309 58.000 0.029 0.000 1.264 14 F CB -0.721 38.273 39.000 -0.011 0.000 1.001 14 F HN -0.233 nan 8.300 nan 0.000 0.479 15 I N 0.638 121.219 120.570 0.018 0.000 2.226 15 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 15 I C 2.581 178.689 176.117 -0.016 0.000 1.100 15 I CA 1.410 62.706 61.300 -0.008 0.000 1.374 15 I CB -1.299 36.859 38.000 0.265 0.000 1.057 15 I HN 0.212 nan 8.210 nan 0.000 0.413 16 R N 0.256 120.820 120.500 0.107 0.000 2.083 16 R HA -0.192 4.148 4.340 -0.000 0.000 0.237 16 R C 2.595 178.911 176.300 0.026 0.000 1.137 16 R CA 2.102 58.295 56.100 0.156 0.000 0.951 16 R CB -0.221 30.148 30.300 0.115 0.000 0.851 16 R HN 0.224 nan 8.270 nan 0.000 0.434 17 S N 0.116 115.773 115.700 -0.071 0.000 2.368 17 S HA -0.120 4.350 4.470 -0.000 0.000 0.224 17 S C 1.854 176.339 174.600 -0.193 0.000 1.029 17 S CA 1.140 59.275 58.200 -0.109 0.000 0.988 17 S CB -0.258 62.886 63.200 -0.094 0.000 0.838 17 S HN 0.352 nan 8.310 nan 0.000 0.462 18 L N 1.344 122.330 121.223 -0.395 0.000 2.017 18 L HA 0.115 4.455 4.340 -0.000 0.000 0.208 18 L C 1.981 178.774 176.870 -0.130 0.000 1.073 18 L CA 1.821 56.448 54.840 -0.355 0.000 0.745 18 L CB -0.467 41.256 42.059 -0.560 0.000 0.894 18 L HN 0.379 nan 8.230 nan 0.000 0.432 19 L N -1.574 119.595 121.223 -0.090 0.000 2.375 19 L HA 0.076 4.416 4.340 -0.000 0.000 0.215 19 L C 0.697 177.651 176.870 0.140 0.000 1.108 19 L CA 0.322 55.177 54.840 0.026 0.000 0.830 19 L CB 0.001 41.992 42.059 -0.114 0.000 0.959 19 L HN 0.238 nan 8.230 nan 0.000 0.457 20 M N -0.543 119.114 119.600 0.096 0.000 2.389 20 M HA 0.238 4.718 4.480 -0.000 0.000 0.206 20 M C -1.976 174.362 176.300 0.064 0.000 0.976 20 M CA -1.277 54.104 55.300 0.135 0.000 0.648 20 M CB 1.566 34.241 32.600 0.124 0.000 1.474 20 M HN -0.262 nan 8.290 nan 0.000 0.398 21 P HA -0.158 nan 4.420 nan 0.000 0.219 21 P C 1.375 178.673 177.300 -0.003 0.000 1.146 21 P CA 1.482 64.572 63.100 -0.018 0.000 0.808 21 P CB -0.184 31.484 31.700 -0.054 0.000 0.779 22 T N -5.614 108.951 114.554 0.018 0.000 3.025 22 T HA -0.092 4.258 4.350 -0.000 0.000 0.270 22 T C 1.712 176.426 174.700 0.022 0.000 1.126 22 T CA 1.446 63.557 62.100 0.019 0.000 1.105 22 T CB -1.472 67.415 68.868 0.031 0.000 0.884 22 T HN 0.020 nan 8.240 nan 0.000 0.522 23 T N 0.866 115.435 114.554 0.025 0.000 3.023 23 T HA 0.443 4.793 4.350 -0.000 0.000 0.266 23 T C 0.938 175.651 174.700 0.022 0.000 1.093 23 T CA 1.079 63.192 62.100 0.022 0.000 1.129 23 T CB -0.693 68.192 68.868 0.029 0.000 0.899 23 T HN 1.000 nan 8.240 nan 0.000 0.491 24 G N 1.294 110.106 108.800 0.020 0.000 2.408 24 G HA2 0.074 4.034 3.960 -0.000 0.000 0.682 24 G HA3 0.074 4.034 3.960 -0.000 0.000 0.682 24 G C -3.331 171.585 174.900 0.028 0.000 1.303 24 G CA -0.954 44.163 45.100 0.028 0.000 0.966 24 G HN 0.076 nan 8.290 nan 0.000 0.560 25 P HA 0.714 nan 4.420 nan 0.000 0.283 25 P C -0.449 176.911 177.300 0.099 0.000 1.271 25 P CA 0.190 63.329 63.100 0.064 0.000 0.841 25 P CB 1.977 33.727 31.700 0.085 0.000 1.122 26 A N 0.575 123.484 122.820 0.148 0.000 2.572 26 A HA 0.603 4.923 4.320 -0.000 0.000 0.295 26 A C -0.515 177.222 177.584 0.256 0.000 1.072 26 A CA -0.549 51.608 52.037 0.201 0.000 0.691 26 A CB 0.739 19.873 19.000 0.224 0.000 1.291 26 A HN 0.384 nan 8.150 nan 0.000 0.404 27 S N 0.791 116.628 115.700 0.228 0.000 2.549 27 S HA 0.353 4.823 4.470 -0.000 0.000 0.279 27 S C 0.287 174.870 174.600 -0.029 0.000 1.321 27 S CA -0.148 58.157 58.200 0.176 0.000 1.054 27 S CB 0.044 63.412 63.200 0.280 0.000 0.899 27 S HN 0.460 nan 8.310 nan 0.000 0.497 28 I N 5.044 125.483 120.570 -0.219 0.000 2.598 28 I HA 0.103 4.273 4.170 -0.000 0.000 0.284 28 I C -1.551 174.229 176.117 -0.561 0.000 1.140 28 I CA -1.385 59.489 61.300 -0.711 0.000 1.420 28 I CB 0.382 38.065 38.000 -0.529 0.000 1.387 28 I HN 0.428 nan 8.210 nan 0.000 0.553 29 P HA 0.109 nan 4.420 nan 0.000 0.214 29 P C -1.047 176.088 177.300 -0.274 0.000 1.807 29 P CA -0.270 62.616 63.100 -0.356 0.000 0.921 29 P CB -0.400 31.112 31.700 -0.313 0.000 1.835 30 D N -0.989 119.263 120.400 -0.247 0.000 2.541 30 D HA 0.120 4.760 4.640 -0.000 0.000 0.276 30 D C 0.447 176.727 176.300 -0.033 0.000 1.190 30 D CA -0.363 53.562 54.000 -0.125 0.000 1.095 30 D CB -0.008 40.730 40.800 -0.104 0.000 1.173 30 D HN -0.172 nan 8.370 nan 0.000 0.604 31 D N -1.351 119.050 120.400 0.001 0.000 2.369 31 D HA 0.042 4.682 4.640 -0.000 0.000 0.211 31 D C -0.016 176.312 176.300 0.046 0.000 1.077 31 D CA 0.312 54.325 54.000 0.022 0.000 0.842 31 D CB 0.089 40.901 40.800 0.019 0.000 0.947 31 D HN 0.272 nan 8.370 nan 0.000 0.509 32 T N 2.126 116.717 114.554 0.062 0.000 4.104 32 T HA 0.183 4.533 4.350 -0.000 0.000 0.285 32 T C 0.894 175.697 174.700 0.172 0.000 1.346 32 T CA -0.102 62.069 62.100 0.118 0.000 1.158 32 T CB -0.326 68.621 68.868 0.132 0.000 1.290 32 T HN 0.032 nan 8.240 nan 0.000 0.975 33 L N 3.407 124.723 121.223 0.154 0.000 2.404 33 L HA 0.257 4.597 4.340 -0.000 0.000 0.277 33 L C 0.776 177.854 176.870 0.346 0.000 1.184 33 L CA 0.042 55.025 54.840 0.239 0.000 1.013 33 L CB -0.089 42.028 42.059 0.096 0.000 1.318 33 L HN 0.377 nan 8.230 nan 0.000 0.435 34 E N 2.933 123.324 120.200 0.317 0.000 2.207 34 E HA 0.316 4.666 4.350 -0.000 0.000 0.270 34 E C -0.605 176.013 176.600 0.029 0.000 0.927 34 E CA -0.956 55.499 56.400 0.091 0.000 0.799 34 E CB 2.430 31.963 29.700 -0.278 0.000 1.172 34 E HN 0.319 nan 8.360 nan 0.000 0.404 35 K N 3.476 123.643 120.400 -0.388 0.000 2.412 35 K HA 0.048 4.368 4.320 -0.000 0.000 0.284 35 K C 0.219 176.732 176.600 -0.144 0.000 1.046 35 K CA 0.316 56.316 56.287 -0.478 0.000 0.999 35 K CB 0.135 32.304 32.500 -0.552 0.000 0.941 35 K HN 0.523 nan 8.250 nan 0.000 0.474 36 H N -0.228 118.776 119.070 -0.108 0.000 2.943 36 H HA 0.482 5.038 4.556 -0.000 0.000 0.323 36 H C -1.088 174.272 175.328 0.052 0.000 1.296 36 H CA -0.799 55.259 56.048 0.017 0.000 1.155 36 H CB 1.941 31.805 29.762 0.170 0.000 1.882 36 H HN 0.401 nan 8.280 nan 0.000 0.553 37 T N 0.612 115.280 114.554 0.190 0.000 2.906 37 T HA 0.541 4.891 4.350 -0.000 0.000 0.295 37 T C -0.888 173.952 174.700 0.233 0.000 1.061 37 T CA -0.740 61.434 62.100 0.124 0.000 1.000 37 T CB 1.107 70.054 68.868 0.131 0.000 1.103 37 T HN 0.413 nan 8.240 nan 0.000 0.486 38 L N 3.518 124.847 121.223 0.177 0.000 2.296 38 L HA 0.737 5.077 4.340 -0.000 0.000 0.286 38 L C 0.031 176.981 176.870 0.134 0.000 1.023 38 L CA -0.746 54.206 54.840 0.187 0.000 0.812 38 L CB 1.577 43.743 42.059 0.178 0.000 1.223 38 L HN 0.503 nan 8.230 nan 0.000 0.421 39 R N 0.907 121.491 120.500 0.140 0.000 2.771 39 R HA 0.605 4.944 4.340 -0.000 0.000 0.274 39 R C -1.271 175.140 176.300 0.185 0.000 0.987 39 R CA -0.479 55.704 56.100 0.138 0.000 0.908 39 R CB 2.490 32.842 30.300 0.085 0.000 1.213 39 R HN 0.516 nan 8.270 nan 0.000 0.468 40 S N 1.178 116.971 115.700 0.155 0.000 2.472 40 S HA 0.494 4.964 4.470 -0.000 0.000 0.303 40 S C -1.097 173.615 174.600 0.187 0.000 1.099 40 S CA -0.849 57.439 58.200 0.146 0.000 1.077 40 S CB 1.459 64.710 63.200 0.085 0.000 1.031 40 S HN 0.313 nan 8.310 nan 0.000 0.487 41 E N 2.364 122.705 120.200 0.236 0.000 2.224 41 E HA 0.336 4.685 4.350 -0.000 0.000 0.265 41 E C -0.383 176.313 176.600 0.161 0.000 0.878 41 E CA -0.492 56.040 56.400 0.219 0.000 0.759 41 E CB 2.017 31.905 29.700 0.313 0.000 1.164 41 E HN 0.725 nan 8.360 nan 0.000 0.414 42 T N -0.546 114.073 114.554 0.108 0.000 2.882 42 T HA 0.502 4.852 4.350 -0.000 0.000 0.287 42 T C 0.314 175.067 174.700 0.087 0.000 1.014 42 T CA -0.605 61.540 62.100 0.075 0.000 1.049 42 T CB 0.964 69.855 68.868 0.039 0.000 1.001 42 T HN 0.115 nan 8.240 nan 0.000 0.525 43 S N 1.321 117.072 115.700 0.084 0.000 2.561 43 S HA 0.670 5.140 4.470 -0.000 0.000 0.303 43 S C -0.325 174.298 174.600 0.039 0.000 1.110 43 S CA -0.920 57.350 58.200 0.117 0.000 1.034 43 S CB 1.416 64.764 63.200 0.248 0.000 1.010 43 S HN 1.071 nan 8.310 nan 0.000 0.482 44 T N 1.177 115.632 114.554 -0.165 0.000 2.881 44 T HA 0.717 5.067 4.350 -0.000 0.000 0.291 44 T C -1.316 173.080 174.700 -0.506 0.000 0.990 44 T CA -0.520 61.464 62.100 -0.194 0.000 0.976 44 T CB 0.424 69.202 68.868 -0.150 0.000 0.970 44 T HN 0.420 nan 8.240 nan 0.000 0.438 45 Y N 1.447 121.749 120.300 0.004 0.000 2.492 45 Y HA 0.556 5.106 4.550 -0.000 0.000 0.346 45 Y C -0.168 175.704 175.900 -0.045 0.000 0.997 45 Y CA -1.235 56.853 58.100 -0.020 0.000 1.025 45 Y CB 2.340 40.783 38.460 -0.029 0.000 1.263 45 Y HN 0.570 nan 8.280 nan 0.000 0.454 46 N N 3.891 122.645 118.700 0.090 0.000 2.621 46 N HA 0.382 5.122 4.740 -0.000 0.000 0.237 46 N C -1.338 174.175 175.510 0.006 0.000 0.997 46 N CA -0.295 52.768 53.050 0.022 0.000 0.918 46 N CB 0.927 39.415 38.487 0.002 0.000 1.122 46 N HN 0.547 nan 8.380 nan 0.000 0.510 47 L N 0.999 122.182 121.223 -0.066 0.000 2.350 47 L HA 0.426 4.766 4.340 -0.000 0.000 0.275 47 L C 0.715 177.541 176.870 -0.072 0.000 1.099 47 L CA -0.418 54.347 54.840 -0.125 0.000 0.808 47 L CB 0.822 42.616 42.059 -0.441 0.000 1.149 47 L HN 0.169 nan 8.230 nan 0.000 0.442 48 T N 1.917 116.482 114.554 0.018 0.000 2.806 48 T HA 0.330 4.680 4.350 -0.000 0.000 0.290 48 T C 0.108 174.874 174.700 0.111 0.000 0.966 48 T CA -0.483 61.643 62.100 0.042 0.000 1.060 48 T CB 1.651 70.546 68.868 0.044 0.000 0.927 48 T HN 0.206 nan 8.240 nan 0.000 0.485 49 V N 3.483 123.446 119.914 0.082 0.000 2.530 49 V HA 0.462 4.582 4.120 -0.000 0.000 0.282 49 V C 1.211 177.385 176.094 0.132 0.000 1.048 49 V CA -0.280 62.114 62.300 0.156 0.000 0.997 49 V CB 1.029 32.919 31.823 0.110 0.000 0.987 49 V HN 1.048 nan 8.190 nan 0.000 0.477 50 G N 2.380 111.272 108.800 0.153 0.000 2.535 50 G HA2 0.172 4.132 3.960 -0.000 0.000 0.282 50 G HA3 0.172 4.132 3.960 -0.000 0.000 0.282 50 G C 0.543 175.479 174.900 0.059 0.000 1.350 50 G CA -0.234 44.917 45.100 0.085 0.000 1.039 50 G HN 0.673 nan 8.290 nan 0.000 0.509 51 D N -0.493 119.925 120.400 0.029 0.000 2.133 51 D HA -0.150 4.490 4.640 -0.000 0.000 0.195 51 D C 2.801 179.105 176.300 0.006 0.000 0.997 51 D CA 2.102 56.110 54.000 0.013 0.000 0.840 51 D CB -0.277 40.523 40.800 -0.000 0.000 0.947 51 D HN 0.450 nan 8.370 nan 0.000 0.452 52 T N -3.543 111.009 114.554 -0.004 0.000 3.085 52 T HA 0.218 4.568 4.350 -0.000 0.000 0.263 52 T C 1.673 176.370 174.700 -0.005 0.000 1.127 52 T CA 0.859 62.945 62.100 -0.024 0.000 1.103 52 T CB 0.134 68.964 68.868 -0.063 0.000 0.921 52 T HN 0.220 nan 8.240 nan 0.000 0.510 53 G N 0.233 109.059 108.800 0.043 0.000 2.153 53 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.252 53 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.252 53 G C 0.050 175.033 174.900 0.138 0.000 0.994 53 G CA 0.293 45.449 45.100 0.094 0.000 0.698 53 G HN 0.997 nan 8.290 nan 0.000 0.521 54 S N -1.301 114.431 115.700 0.055 0.000 2.546 54 S HA 0.931 5.401 4.470 -0.000 0.000 0.274 54 S C 0.106 174.489 174.600 -0.363 0.000 1.121 54 S CA 0.723 58.825 58.200 -0.164 0.000 0.887 54 S CB 1.860 64.960 63.200 -0.165 0.000 1.094 54 S HN 1.928 nan 8.310 nan 0.000 0.474 55 G N 1.098 109.354 108.800 -0.906 0.000 2.488 55 G HA2 0.560 4.520 3.960 -0.000 0.000 0.301 55 G HA3 0.560 4.520 3.960 -0.000 0.000 0.301 55 G C -2.476 172.162 174.900 -0.437 0.000 1.339 55 G CA -0.532 44.203 45.100 -0.610 0.000 0.803 55 G HN 0.989 nan 8.290 nan 0.000 0.482 56 L N -0.093 121.153 121.223 0.038 0.000 2.464 56 L HA 0.776 5.116 4.340 -0.000 0.000 0.266 56 L C -1.186 175.794 176.870 0.184 0.000 0.965 56 L CA -0.655 54.242 54.840 0.095 0.000 0.833 56 L CB 1.777 43.831 42.059 -0.008 0.000 1.296 56 L HN 0.514 nan 8.230 nan 0.000 0.405 57 I N 5.404 126.017 120.570 0.071 0.000 2.339 57 I HA 0.436 4.606 4.170 -0.000 0.000 0.290 57 I C -0.642 175.237 176.117 -0.397 0.000 0.994 57 I CA -0.904 60.287 61.300 -0.181 0.000 1.191 57 I CB 1.820 39.597 38.000 -0.372 0.000 1.343 57 I HN 0.251 nan 8.210 nan 0.000 0.458 58 V N 7.315 126.955 119.914 -0.458 0.000 2.350 58 V HA 0.358 4.478 4.120 -0.000 0.000 0.276 58 V C -0.266 175.352 176.094 -0.793 0.000 1.028 58 V CA -0.320 61.651 62.300 -0.549 0.000 0.860 58 V CB 0.779 32.305 31.823 -0.494 0.000 0.990 58 V HN 0.406 nan 8.190 nan 0.000 0.453 59 F N 4.109 123.779 119.950 -0.466 0.000 2.458 59 F HA 0.580 5.107 4.527 -0.000 0.000 0.330 59 F C -0.008 175.461 175.800 -0.553 0.000 1.082 59 F CA -0.632 57.113 58.000 -0.425 0.000 0.995 59 F CB 1.751 40.654 39.000 -0.161 0.000 1.170 59 F HN 0.370 nan 8.300 nan 0.000 0.478 60 F N 3.702 123.822 119.950 0.283 0.000 2.334 60 F HA 0.279 4.806 4.527 -0.000 0.000 0.343 60 F C -1.636 174.306 175.800 0.237 0.000 1.136 60 F CA -1.826 56.312 58.000 0.231 0.000 1.237 60 F CB 0.218 39.347 39.000 0.215 0.000 1.525 60 F HN 0.270 nan 8.300 nan 0.000 0.528 61 P HA -0.130 nan 4.420 nan 0.000 0.219 61 P C 1.386 178.788 177.300 0.170 0.000 1.146 61 P CA 1.244 64.433 63.100 0.148 0.000 0.808 61 P CB 0.320 32.060 31.700 0.068 0.000 0.779 62 G N -1.690 107.244 108.800 0.223 0.000 3.337 62 G HA2 0.049 4.009 3.960 -0.000 0.000 0.246 62 G HA3 0.049 4.009 3.960 -0.000 0.000 0.246 62 G C -0.166 174.890 174.900 0.259 0.000 1.131 62 G CA -0.390 44.822 45.100 0.186 0.000 0.773 62 G HN 0.148 nan 8.290 nan 0.000 0.544 63 F N 3.162 123.246 119.950 0.223 0.000 2.571 63 F HA 0.280 4.807 4.527 -0.000 0.000 0.384 63 F C -1.582 174.369 175.800 0.251 0.000 1.058 63 F CA -2.414 55.720 58.000 0.223 0.000 1.200 63 F CB 1.107 40.242 39.000 0.226 0.000 1.077 63 F HN -0.050 nan 8.300 nan 0.000 0.558 64 P HA 0.317 nan 4.420 nan 0.000 0.231 64 P C -0.054 177.170 177.300 -0.126 0.000 1.811 64 P CA 0.351 63.395 63.100 -0.094 0.000 1.051 64 P CB 0.224 31.788 31.700 -0.225 0.000 1.951 65 G N 0.336 109.319 108.800 0.305 0.000 2.368 65 G HA2 0.009 3.969 3.960 -0.000 0.000 0.269 65 G HA3 0.009 3.969 3.960 -0.000 0.000 0.269 65 G C 0.204 175.358 174.900 0.425 0.000 1.291 65 G CA -0.347 44.900 45.100 0.245 0.000 0.903 65 G HN -0.049 nan 8.290 nan 0.000 0.483 66 S N -0.428 115.452 115.700 0.300 0.000 2.593 66 S HA 0.294 4.764 4.470 -0.000 0.000 0.217 66 S C 0.917 175.609 174.600 0.152 0.000 0.966 66 S CA 0.058 58.375 58.200 0.195 0.000 0.914 66 S CB -0.254 63.010 63.200 0.107 0.000 0.776 66 S HN 0.347 nan 8.310 nan 0.000 0.523 67 I N 1.337 121.895 120.570 -0.021 0.000 2.337 67 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 67 I C 0.839 176.934 176.117 -0.036 0.000 1.046 67 I CA -0.130 61.006 61.300 -0.273 0.000 1.324 67 I CB 1.436 38.909 38.000 -0.878 0.000 1.409 67 I HN -0.058 nan 8.210 nan 0.000 0.494 68 V N 5.343 125.359 119.914 0.169 0.000 2.922 68 V HA 0.431 4.551 4.120 -0.000 0.000 0.242 68 V C 0.956 177.286 176.094 0.392 0.000 1.094 68 V CA 1.075 63.562 62.300 0.313 0.000 1.106 68 V CB 0.397 32.405 31.823 0.308 0.000 0.799 68 V HN 0.957 nan 8.190 nan 0.000 0.474 69 G N -1.156 107.790 108.800 0.243 0.000 2.348 69 G HA2 0.664 4.624 3.960 -0.000 0.000 0.296 69 G HA3 0.664 4.624 3.960 -0.000 0.000 0.296 69 G C -1.851 173.020 174.900 -0.049 0.000 1.258 69 G CA 0.147 45.234 45.100 -0.022 0.000 0.868 69 G HN 0.650 nan 8.290 nan 0.000 0.488 70 A N -0.598 122.093 122.820 -0.215 0.000 2.520 70 A HA 0.784 5.104 4.320 -0.000 0.000 0.298 70 A C -1.269 176.141 177.584 -0.288 0.000 1.051 70 A CA -0.449 51.491 52.037 -0.161 0.000 0.690 70 A CB 1.521 20.538 19.000 0.028 0.000 1.281 70 A HN 1.183 nan 8.150 nan 0.000 0.402 71 H N 1.286 120.054 119.070 -0.503 0.000 2.459 71 H HA 0.644 5.200 4.556 -0.000 0.000 0.332 71 H C -1.787 173.237 175.328 -0.506 0.000 1.094 71 H CA -0.283 55.529 56.048 -0.395 0.000 1.224 71 H CB 0.894 30.472 29.762 -0.306 0.000 1.449 71 H HN 0.613 nan 8.280 nan 0.000 0.484 72 Y N 2.139 122.222 120.300 -0.362 0.000 2.391 72 Y HA 0.168 4.718 4.550 -0.000 0.000 0.341 72 Y C 0.447 176.167 175.900 -0.300 0.000 0.965 72 Y CA -0.826 57.136 58.100 -0.231 0.000 1.067 72 Y CB 2.131 40.642 38.460 0.086 0.000 1.199 72 Y HN 0.583 nan 8.280 nan 0.000 0.450 73 T N 0.524 115.023 114.554 -0.092 0.000 2.922 73 T HA 0.570 4.920 4.350 -0.000 0.000 0.285 73 T C -0.758 173.989 174.700 0.079 0.000 1.005 73 T CA -0.750 61.344 62.100 -0.010 0.000 1.061 73 T CB 1.386 70.242 68.868 -0.019 0.000 1.007 73 T HN 0.443 nan 8.240 nan 0.000 0.502 74 L N 1.946 123.142 121.223 -0.045 0.000 2.312 74 L HA 0.427 4.767 4.340 -0.000 0.000 0.281 74 L C 0.039 176.823 176.870 -0.143 0.000 1.070 74 L CA 0.007 54.705 54.840 -0.237 0.000 0.805 74 L CB 1.158 43.007 42.059 -0.350 0.000 1.174 74 L HN 0.761 nan 8.230 nan 0.000 0.434 75 Q N 2.235 121.941 119.800 -0.156 0.000 2.297 75 Q HA 0.355 4.695 4.340 -0.000 0.000 0.269 75 Q C 0.974 176.916 176.000 -0.097 0.000 1.051 75 Q CA -0.154 55.595 55.803 -0.091 0.000 0.869 75 Q CB 1.368 30.069 28.738 -0.063 0.000 1.346 75 Q HN 0.887 nan 8.270 nan 0.000 0.457 76 G N 1.209 109.970 108.800 -0.064 0.000 2.547 76 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.221 76 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.221 76 G C 0.756 175.614 174.900 -0.070 0.000 1.140 76 G CA 1.505 46.570 45.100 -0.058 0.000 0.760 76 G HN 0.714 nan 8.290 nan 0.000 0.583 77 N N 0.233 118.889 118.700 -0.072 0.000 2.515 77 N HA 0.275 5.015 4.740 -0.000 0.000 0.185 77 N C 1.527 176.978 175.510 -0.098 0.000 1.109 77 N CA 0.507 53.514 53.050 -0.073 0.000 0.903 77 N CB 0.130 38.581 38.487 -0.060 0.000 0.969 77 N HN 0.488 nan 8.380 nan 0.000 0.450 78 G N 0.836 109.555 108.800 -0.136 0.000 2.159 78 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.227 78 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.227 78 G C -0.427 174.326 174.900 -0.247 0.000 0.986 78 G CA -0.056 44.934 45.100 -0.182 0.000 0.651 78 G HN 0.503 nan 8.290 nan 0.000 0.523 79 N N -0.100 118.469 118.700 -0.218 0.000 2.430 79 N HA 0.605 5.345 4.740 -0.000 0.000 0.298 79 N C -0.426 174.936 175.510 -0.245 0.000 1.130 79 N CA -0.941 51.983 53.050 -0.210 0.000 0.894 79 N CB 1.042 39.466 38.487 -0.105 0.000 1.209 79 N HN 0.152 nan 8.380 nan 0.000 0.503 80 Y N -0.280 119.965 120.300 -0.092 0.000 2.301 80 Y HA 0.322 4.872 4.550 -0.000 0.000 0.328 80 Y C 0.913 176.840 175.900 0.045 0.000 1.242 80 Y CA -0.066 58.017 58.100 -0.029 0.000 1.323 80 Y CB 1.153 39.564 38.460 -0.082 0.000 1.266 80 Y HN 0.418 nan 8.280 nan 0.000 0.527 81 K N 3.251 123.843 120.400 0.320 0.000 2.535 81 K HA 0.239 4.559 4.320 -0.000 0.000 0.250 81 K C -1.532 175.271 176.600 0.339 0.000 0.948 81 K CA -0.801 55.648 56.287 0.269 0.000 0.796 81 K CB 0.992 33.566 32.500 0.124 0.000 1.216 81 K HN 0.554 nan 8.250 nan 0.000 0.432 82 F N 3.808 123.898 119.950 0.233 0.000 2.607 82 F HA -0.023 4.504 4.527 -0.000 0.000 0.374 82 F C 0.895 176.626 175.800 -0.114 0.000 1.104 82 F CA 0.711 58.699 58.000 -0.019 0.000 1.296 82 F CB 0.803 39.818 39.000 0.025 0.000 1.085 82 F HN 0.818 nan 8.300 nan 0.000 0.584 83 D N 2.342 122.151 120.400 -0.985 0.000 2.805 83 D HA 0.105 4.745 4.640 -0.000 0.000 0.271 83 D C -0.611 175.007 176.300 -1.137 0.000 1.166 83 D CA 0.918 54.458 54.000 -0.766 0.000 1.004 83 D CB 0.219 40.758 40.800 -0.434 0.000 1.136 83 D HN 0.677 nan 8.370 nan 0.000 0.444 84 Q N -0.872 118.161 119.800 -1.279 0.000 2.578 84 Q HA 0.328 4.668 4.340 -0.000 0.000 0.284 84 Q C -1.078 174.650 176.000 -0.453 0.000 0.960 84 Q CA -1.039 54.272 55.803 -0.819 0.000 0.809 84 Q CB 1.136 29.672 28.738 -0.336 0.000 1.462 84 Q HN -0.046 nan 8.270 nan 0.000 0.392 85 M N 1.813 121.399 119.600 -0.023 0.000 2.238 85 M HA 0.349 4.829 4.480 -0.000 0.000 0.347 85 M C -0.522 175.649 176.300 -0.216 0.000 1.173 85 M CA -0.007 55.305 55.300 0.019 0.000 1.147 85 M CB 0.001 32.668 32.600 0.111 0.000 1.547 85 M HN 0.613 nan 8.290 nan 0.000 0.455 86 L N 4.787 125.858 121.223 -0.254 0.000 2.272 86 L HA 0.544 4.884 4.340 -0.000 0.000 0.289 86 L C -0.423 176.440 176.870 -0.012 0.000 1.032 86 L CA -0.364 54.197 54.840 -0.466 0.000 0.810 86 L CB 0.623 42.450 42.059 -0.385 0.000 1.205 86 L HN 0.567 nan 8.230 nan 0.000 0.422 87 L N 1.317 122.682 121.223 0.237 0.000 2.256 87 L HA 0.569 4.909 4.340 -0.000 0.000 0.261 87 L C 0.527 177.601 176.870 0.340 0.000 1.022 87 L CA -0.798 54.208 54.840 0.277 0.000 0.828 87 L CB 1.909 44.104 42.059 0.227 0.000 1.374 87 L HN 0.379 nan 8.230 nan 0.000 0.436 88 T N 0.235 114.936 114.554 0.245 0.000 2.903 88 T HA 0.095 4.445 4.350 -0.000 0.000 0.314 88 T C 1.135 175.926 174.700 0.152 0.000 1.078 88 T CA 0.512 62.740 62.100 0.213 0.000 1.114 88 T CB 1.405 70.396 68.868 0.206 0.000 0.987 88 T HN 0.725 nan 8.240 nan 0.000 0.548 89 A N 2.605 125.491 122.820 0.111 0.000 1.908 89 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 89 A C 1.026 178.647 177.584 0.061 0.000 1.181 89 A CA 1.454 53.523 52.037 0.054 0.000 0.627 89 A CB -0.369 18.656 19.000 0.041 0.000 0.818 89 A HN 0.850 nan 8.150 nan 0.000 0.445 90 Q N -1.511 118.337 119.800 0.080 0.000 2.433 90 Q HA 0.491 4.831 4.340 -0.000 0.000 0.279 90 Q C -1.221 174.825 176.000 0.076 0.000 1.105 90 Q CA -0.981 54.865 55.803 0.072 0.000 0.815 90 Q CB 0.787 29.567 28.738 0.069 0.000 1.403 90 Q HN 0.137 nan 8.270 nan 0.000 0.435 91 N N 1.650 120.389 118.700 0.065 0.000 2.415 91 N HA 0.128 4.868 4.740 -0.000 0.000 0.250 91 N C 0.491 176.038 175.510 0.061 0.000 1.127 91 N CA -0.006 53.080 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 0.768 nan 8.380 nan 0.000 0.499 92 L N 4.491 125.745 121.223 0.053 0.000 2.043 92 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 92 L C -0.662 176.275 176.870 0.112 0.000 1.075 92 L CA 1.287 56.179 54.840 0.087 0.000 0.752 92 L CB -1.074 40.926 42.059 -0.097 0.000 0.891 92 L HN 0.520 nan 8.230 nan 0.000 0.432 93 P HA -0.134 nan 4.420 nan 0.000 0.228 93 P C 1.102 178.403 177.300 0.002 0.000 1.151 93 P CA 1.297 64.410 63.100 0.022 0.000 0.770 93 P CB -0.022 31.684 31.700 0.009 0.000 0.786 94 A N -1.300 121.523 122.820 0.005 0.000 2.119 94 A HA 0.000 4.320 4.320 -0.000 0.000 0.216 94 A C 2.018 179.557 177.584 -0.076 0.000 1.152 94 A CA 1.559 53.581 52.037 -0.024 0.000 0.708 94 A CB -0.565 18.429 19.000 -0.010 0.000 0.805 94 A HN 0.141 nan 8.150 nan 0.000 0.460 95 S N -2.785 112.846 115.700 -0.116 0.000 2.631 95 S HA 0.338 4.808 4.470 -0.000 0.000 0.246 95 S C -0.424 173.821 174.600 -0.592 0.000 1.068 95 S CA -0.240 57.741 58.200 -0.366 0.000 0.995 95 S CB 0.150 63.063 63.200 -0.478 0.000 0.944 95 S HN 0.497 nan 8.310 nan 0.000 0.529 96 Y N 1.066 121.352 120.300 -0.023 0.000 2.536 96 Y HA 0.520 5.070 4.550 -0.000 0.000 0.347 96 Y C 0.708 176.579 175.900 -0.049 0.000 1.000 96 Y CA -1.080 57.013 58.100 -0.012 0.000 1.051 96 Y CB 1.049 39.507 38.460 -0.004 0.000 1.259 96 Y HN -0.147 nan 8.280 nan 0.000 0.468 97 N N 0.029 118.795 118.700 0.111 0.000 2.414 97 N HA 0.079 4.819 4.740 -0.000 0.000 0.177 97 N C -1.124 174.182 175.510 -0.341 0.000 1.062 97 N CA 0.549 53.521 53.050 -0.130 0.000 0.890 97 N CB 0.424 38.827 38.487 -0.141 0.000 1.070 97 N HN 0.532 nan 8.380 nan 0.000 0.454 98 Y N -1.024 119.351 120.300 0.125 0.000 2.545 98 Y HA 0.549 5.099 4.550 -0.000 0.000 0.348 98 Y C -0.145 175.883 175.900 0.212 0.000 1.002 98 Y CA -1.151 57.043 58.100 0.156 0.000 1.039 98 Y CB 2.213 40.775 38.460 0.169 0.000 1.271 98 Y HN -0.111 nan 8.280 nan 0.000 0.467 99 C N 2.430 121.943 119.300 0.355 0.000 3.284 99 C HA 0.841 5.301 4.460 -0.000 0.000 0.338 99 C C -1.789 173.180 174.990 -0.035 0.000 1.237 99 C CA -0.723 58.377 59.018 0.137 0.000 1.276 99 C CB 1.772 29.500 27.740 -0.021 0.000 1.601 99 C HN 1.031 nan 8.230 nan 0.000 0.494 100 R N 2.744 123.202 120.500 -0.070 0.000 2.548 100 R HA 0.665 5.005 4.340 -0.000 0.000 0.280 100 R C -1.731 174.622 176.300 0.089 0.000 1.061 100 R CA -0.652 55.369 56.100 -0.131 0.000 0.915 100 R CB 1.688 31.654 30.300 -0.558 0.000 1.210 100 R HN 0.814 nan 8.270 nan 0.000 0.442 101 L N 4.727 126.025 121.223 0.124 0.000 2.319 101 L HA 0.225 4.565 4.340 -0.000 0.000 0.280 101 L C 0.156 177.049 176.870 0.038 0.000 1.099 101 L CA 0.389 55.261 54.840 0.053 0.000 0.828 101 L CB 1.600 43.702 42.059 0.073 0.000 1.150 101 L HN 0.635 nan 8.230 nan 0.000 0.442 102 V N 2.583 122.478 119.914 -0.033 0.000 2.436 102 V HA 0.251 4.371 4.120 -0.000 0.000 0.240 102 V C 0.579 176.730 176.094 0.095 0.000 1.040 102 V CA 1.146 63.510 62.300 0.106 0.000 1.052 102 V CB 0.028 31.906 31.823 0.091 0.000 0.707 102 V HN 0.942 nan 8.190 nan 0.000 0.469 103 S N -0.325 115.337 115.700 -0.063 0.000 2.597 103 S HA 0.719 5.189 4.470 -0.000 0.000 0.274 103 S C -0.940 173.576 174.600 -0.140 0.000 1.132 103 S CA -0.914 57.237 58.200 -0.080 0.000 0.835 103 S CB 2.630 65.766 63.200 -0.107 0.000 1.092 103 S HN 0.488 nan 8.310 nan 0.000 0.457 104 R N 0.450 120.886 120.500 -0.108 0.000 2.563 104 R HA 0.661 5.001 4.340 -0.000 0.000 0.262 104 R C -1.697 174.529 176.300 -0.124 0.000 1.128 104 R CA -0.006 56.022 56.100 -0.120 0.000 0.969 104 R CB 1.689 31.925 30.300 -0.106 0.000 1.251 104 R HN 1.295 nan 8.270 nan 0.000 0.442 105 S N 4.000 119.615 115.700 -0.141 0.000 2.549 105 S HA 0.774 5.244 4.470 -0.000 0.000 0.280 105 S C -1.145 173.324 174.600 -0.219 0.000 1.109 105 S CA -0.807 57.271 58.200 -0.203 0.000 0.905 105 S CB 1.752 64.817 63.200 -0.225 0.000 1.081 105 S HN 0.430 nan 8.310 nan 0.000 0.477 106 L N 1.334 122.376 121.223 -0.301 0.000 2.388 106 L HA 0.675 5.015 4.340 -0.000 0.000 0.264 106 L C -0.230 176.500 176.870 -0.234 0.000 0.998 106 L CA -0.472 54.189 54.840 -0.298 0.000 0.817 106 L CB 2.706 44.413 42.059 -0.588 0.000 1.338 106 L HN 0.753 nan 8.230 nan 0.000 0.414 107 T N 1.461 115.941 114.554 -0.123 0.000 2.823 107 T HA 0.691 5.041 4.350 -0.000 0.000 0.279 107 T C -0.922 173.779 174.700 0.002 0.000 0.998 107 T CA -0.363 61.696 62.100 -0.068 0.000 0.994 107 T CB 1.594 70.433 68.868 -0.049 0.000 0.960 107 T HN 0.236 nan 8.240 nan 0.000 0.448 108 V N 5.715 125.640 119.914 0.018 0.000 2.447 108 V HA 0.639 4.759 4.120 -0.000 0.000 0.292 108 V C -0.061 176.032 176.094 -0.003 0.000 1.021 108 V CA -0.845 61.483 62.300 0.047 0.000 0.850 108 V CB 1.265 33.165 31.823 0.129 0.000 1.005 108 V HN 0.925 nan 8.190 nan 0.000 0.426 109 R N 2.719 123.197 120.500 -0.036 0.000 2.870 109 R HA 0.912 5.252 4.340 -0.000 0.000 0.262 109 R C -1.041 175.211 176.300 -0.080 0.000 1.112 109 R CA -0.741 55.320 56.100 -0.064 0.000 0.976 109 R CB 2.008 32.261 30.300 -0.079 0.000 1.261 109 R HN 0.467 nan 8.270 nan 0.000 0.453 110 S N -0.688 114.967 115.700 -0.074 0.000 2.671 110 S HA 0.622 5.092 4.470 -0.000 0.000 0.277 110 S C -1.582 173.008 174.600 -0.017 0.000 1.165 110 S CA 0.418 58.583 58.200 -0.059 0.000 0.822 110 S CB 1.500 64.651 63.200 -0.082 0.000 1.150 110 S HN 1.263 nan 8.310 nan 0.000 0.479 111 S N 0.692 116.394 115.700 0.004 0.000 3.027 111 S HA -0.019 4.451 4.470 -0.000 0.000 0.857 111 S C -0.905 173.738 174.600 0.071 0.000 0.980 111 S CA 0.530 58.756 58.200 0.043 0.000 1.337 111 S CB -1.499 61.744 63.200 0.072 0.000 0.952 111 S HN 1.128 nan 8.310 nan 0.000 0.241 112 T N 5.592 120.183 114.554 0.061 0.000 2.933 112 T HA 0.739 5.089 4.350 -0.000 0.000 0.305 112 T C -0.688 174.041 174.700 0.048 0.000 1.092 112 T CA -0.749 61.389 62.100 0.064 0.000 1.008 112 T CB 1.389 70.282 68.868 0.041 0.000 1.102 112 T HN 0.781 nan 8.240 nan 0.000 0.469 113 L N 2.299 123.549 121.223 0.044 0.000 2.434 113 L HA 0.512 4.852 4.340 -0.000 0.000 0.260 113 L C -2.561 174.317 176.870 0.014 0.000 0.983 113 L CA -2.548 52.305 54.840 0.021 0.000 0.820 113 L CB 2.508 44.572 42.059 0.009 0.000 1.361 113 L HN 0.390 nan 8.230 nan 0.000 0.410 114 P HA 0.124 nan 4.420 nan 0.000 0.258 114 P C 0.547 177.846 177.300 -0.002 0.000 1.172 114 P CA 0.778 63.880 63.100 0.004 0.000 0.762 114 P CB 0.422 32.123 31.700 0.002 0.000 0.764 115 G N 2.652 111.453 108.800 0.001 0.000 2.148 115 G HA2 0.081 4.041 3.960 -0.000 0.000 0.157 115 G HA3 0.081 4.041 3.960 -0.000 0.000 0.157 115 G C 0.744 175.644 174.900 -0.000 0.000 1.012 115 G CA 0.138 45.236 45.100 -0.004 0.000 0.677 115 G HN 0.943 nan 8.290 nan 0.000 0.506 116 G N -1.945 106.863 108.800 0.014 0.000 2.175 116 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.265 116 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.265 116 G C 0.591 175.516 174.900 0.041 0.000 0.979 116 G CA 0.909 46.029 45.100 0.033 0.000 0.663 116 G HN 1.615 nan 8.290 nan 0.000 0.533 117 V N 0.709 120.624 119.914 0.001 0.000 2.743 117 V HA 0.723 4.843 4.120 -0.000 0.000 0.301 117 V C 0.388 176.477 176.094 -0.008 0.000 1.057 117 V CA -0.432 61.820 62.300 -0.080 0.000 1.006 117 V CB 1.306 33.056 31.823 -0.121 0.000 1.024 117 V HN 0.519 nan 8.190 nan 0.000 0.473 118 Y N 2.148 122.456 120.300 0.014 0.000 2.587 118 Y HA 0.922 5.472 4.550 -0.000 0.000 0.337 118 Y C -0.029 175.879 175.900 0.014 0.000 1.065 118 Y CA -1.256 56.852 58.100 0.014 0.000 1.126 118 Y CB 1.167 39.637 38.460 0.017 0.000 1.279 118 Y HN 0.671 nan 8.280 nan 0.000 0.489 119 A N 1.894 124.855 122.820 0.235 0.000 2.261 119 A HA 0.722 5.042 4.320 -0.000 0.000 0.323 119 A C -0.968 176.732 177.584 0.193 0.000 1.107 119 A CA -1.193 50.926 52.037 0.137 0.000 0.883 119 A CB 0.598 19.646 19.000 0.080 0.000 1.251 119 A HN 0.824 nan 8.150 nan 0.000 0.502 120 L N 1.150 122.443 121.223 0.117 0.000 2.315 120 L HA 0.313 4.653 4.340 -0.000 0.000 0.283 120 L C 0.161 177.077 176.870 0.077 0.000 1.089 120 L CA -0.026 54.878 54.840 0.106 0.000 0.833 120 L CB 0.205 42.309 42.059 0.074 0.000 1.170 120 L HN 0.768 nan 8.230 nan 0.000 0.442 121 N N 2.320 121.064 118.700 0.074 0.000 2.595 121 N HA 0.336 5.076 4.740 -0.000 0.000 0.291 121 N C -0.140 175.399 175.510 0.048 0.000 1.706 121 N CA 0.697 53.778 53.050 0.051 0.000 0.867 121 N CB 0.861 39.374 38.487 0.042 0.000 1.414 121 N HN 0.851 nan 8.380 nan 0.000 0.492 122 G N -0.155 108.676 108.800 0.052 0.000 2.660 122 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.247 122 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.247 122 G C -0.491 174.455 174.900 0.078 0.000 1.328 122 G CA -0.303 44.829 45.100 0.053 0.000 0.884 122 G HN 0.714 nan 8.290 nan 0.000 0.531 123 T N -2.288 112.326 114.554 0.099 0.000 2.916 123 T HA 0.793 5.143 4.350 -0.000 0.000 0.292 123 T C -0.253 174.624 174.700 0.296 0.000 1.064 123 T CA -0.693 61.510 62.100 0.172 0.000 1.011 123 T CB 2.221 71.207 68.868 0.197 0.000 1.152 123 T HN 1.091 nan 8.240 nan 0.000 0.510 124 I N 1.796 122.545 120.570 0.299 0.000 2.498 124 I HA 0.422 4.592 4.170 -0.000 0.000 0.290 124 I C -0.978 175.229 176.117 0.151 0.000 1.032 124 I CA -1.003 60.478 61.300 0.302 0.000 1.073 124 I CB 2.147 40.258 38.000 0.185 0.000 1.251 124 I HN 0.576 nan 8.210 nan 0.000 0.426 125 N N 4.417 123.076 118.700 -0.068 0.000 2.362 125 N HA 0.811 5.551 4.740 -0.000 0.000 0.298 125 N C -1.028 174.393 175.510 -0.149 0.000 1.048 125 N CA -0.434 52.437 53.050 -0.298 0.000 0.858 125 N CB 2.275 40.264 38.487 -0.830 0.000 1.218 125 N HN 0.698 nan 8.380 nan 0.000 0.488 126 A N 0.765 123.528 122.820 -0.097 0.000 2.486 126 A HA 0.783 5.103 4.320 -0.000 0.000 0.300 126 A C -1.138 176.416 177.584 -0.051 0.000 1.048 126 A CA -0.597 51.415 52.037 -0.042 0.000 0.696 126 A CB 1.002 20.011 19.000 0.016 0.000 1.278 126 A HN 0.380 nan 8.150 nan 0.000 0.405 127 V N -1.032 118.865 119.914 -0.028 0.000 3.049 127 V HA 0.802 4.922 4.120 -0.000 0.000 0.309 127 V C -0.287 175.823 176.094 0.026 0.000 1.148 127 V CA -0.717 61.575 62.300 -0.012 0.000 0.990 127 V CB 1.606 33.427 31.823 -0.003 0.000 1.039 127 V HN 0.801 nan 8.190 nan 0.000 0.430 128 T N 3.888 118.459 114.554 0.029 0.000 2.749 128 T HA 0.593 4.943 4.350 -0.000 0.000 0.287 128 T C -0.905 173.863 174.700 0.112 0.000 0.970 128 T CA 0.099 62.233 62.100 0.057 0.000 0.980 128 T CB 0.705 69.578 68.868 0.008 0.000 0.924 128 T HN 0.653 nan 8.240 nan 0.000 0.456 129 F N 2.771 122.708 119.950 -0.021 0.000 2.436 129 F HA 0.337 4.864 4.527 -0.000 0.000 0.340 129 F C 0.865 176.665 175.800 -0.001 0.000 1.113 129 F CA -0.938 57.053 58.000 -0.016 0.000 1.022 129 F CB 1.418 40.409 39.000 -0.015 0.000 1.128 129 F HN 0.464 nan 8.300 nan 0.000 0.466 130 Q N 4.596 124.014 119.800 -0.635 0.000 2.404 130 Q HA 0.303 4.643 4.340 -0.000 0.000 0.272 130 Q C 0.049 175.629 176.000 -0.700 0.000 0.939 130 Q CA -0.122 55.373 55.803 -0.513 0.000 0.945 130 Q CB 0.018 28.552 28.738 -0.341 0.000 1.195 130 Q HN 0.888 nan 8.270 nan 0.000 0.415 131 G N -0.626 107.632 108.800 -0.904 0.000 2.687 131 G HA2 0.387 4.347 3.960 -0.000 0.000 0.291 131 G HA3 0.387 4.347 3.960 -0.000 0.000 0.291 131 G C -0.878 174.104 174.900 0.136 0.000 1.420 131 G CA -0.641 44.203 45.100 -0.426 0.000 0.796 131 G HN 0.205 nan 8.290 nan 0.000 0.485 132 S N -0.634 115.228 115.700 0.270 0.000 2.669 132 S HA 0.368 4.838 4.470 -0.000 0.000 0.270 132 S C 1.432 176.247 174.600 0.359 0.000 1.225 132 S CA -0.433 57.952 58.200 0.309 0.000 0.991 132 S CB 1.464 64.807 63.200 0.238 0.000 0.987 132 S HN 0.874 nan 8.310 nan 0.000 0.552 133 L N 1.714 123.100 121.223 0.271 0.000 2.013 133 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 133 L C 2.550 179.483 176.870 0.105 0.000 1.073 133 L CA 2.696 57.617 54.840 0.135 0.000 0.753 133 L CB -1.487 40.629 42.059 0.095 0.000 0.890 133 L HN 0.989 nan 8.230 nan 0.000 0.432 134 S N -1.910 113.880 115.700 0.150 0.000 2.507 134 S HA -0.118 4.352 4.470 -0.000 0.000 0.235 134 S C 1.603 176.265 174.600 0.103 0.000 0.988 134 S CA 0.961 59.234 58.200 0.122 0.000 0.944 134 S CB -0.609 62.648 63.200 0.097 0.000 0.762 134 S HN 0.677 nan 8.310 nan 0.000 0.526 135 E N 0.435 120.733 120.200 0.164 0.000 2.371 135 E HA 0.214 4.564 4.350 -0.000 0.000 0.194 135 E C -0.154 176.480 176.600 0.057 0.000 1.012 135 E CA -0.145 56.380 56.400 0.208 0.000 0.860 135 E CB -0.088 29.848 29.700 0.393 0.000 0.811 135 E HN 0.521 nan 8.360 nan 0.000 0.502 136 L N 2.028 123.097 121.223 -0.257 0.000 2.513 136 L HA -0.044 4.296 4.340 -0.000 0.000 0.272 136 L C 1.770 178.512 176.870 -0.213 0.000 1.187 136 L CA 0.124 54.636 54.840 -0.547 0.000 0.895 136 L CB 0.710 42.407 42.059 -0.603 0.000 1.147 136 L HN 0.174 nan 8.230 nan 0.000 0.483 137 T N -1.848 112.606 114.554 -0.167 0.000 2.985 137 T HA -0.026 4.324 4.350 -0.000 0.000 0.266 137 T C 0.438 175.095 174.700 -0.073 0.000 1.076 137 T CA 0.332 62.387 62.100 -0.075 0.000 1.135 137 T CB 0.120 68.967 68.868 -0.035 0.000 0.890 137 T HN 0.512 nan 8.240 nan 0.000 0.480 138 D N 0.790 121.129 120.400 -0.100 0.000 2.736 138 D HA 0.309 4.949 4.640 -0.000 0.000 0.243 138 D C 0.257 176.513 176.300 -0.073 0.000 1.304 138 D CA -0.694 53.268 54.000 -0.063 0.000 0.934 138 D CB 2.235 43.008 40.800 -0.045 0.000 1.382 138 D HN 0.098 nan 8.370 nan 0.000 0.571 139 V N 1.425 121.326 119.914 -0.021 0.000 3.319 139 V HA 0.300 4.420 4.120 -0.000 0.000 0.317 139 V C 0.768 176.918 176.094 0.092 0.000 1.411 139 V CA -0.023 62.276 62.300 -0.002 0.000 1.112 139 V CB -0.497 31.350 31.823 0.040 0.000 1.031 139 V HN 0.451 nan 8.190 nan 0.000 0.448 140 S N -0.696 115.065 115.700 0.102 0.000 2.584 140 S HA 0.247 4.717 4.470 -0.000 0.000 0.270 140 S C 0.864 175.542 174.600 0.129 0.000 1.346 140 S CA 0.257 58.547 58.200 0.150 0.000 1.018 140 S CB 0.611 63.866 63.200 0.092 0.000 0.899 140 S HN 0.473 nan 8.310 nan 0.000 0.542 141 Y N 2.704 123.031 120.300 0.046 0.000 2.062 141 Y HA -0.311 4.239 4.550 -0.000 0.000 0.276 141 Y C 2.095 178.003 175.900 0.012 0.000 1.189 141 Y CA 2.699 60.812 58.100 0.022 0.000 1.130 141 Y CB -0.516 37.948 38.460 0.007 0.000 0.959 141 Y HN 0.718 nan 8.280 nan 0.000 0.499 142 N N -0.221 118.564 118.700 0.142 0.000 2.216 142 N HA -0.079 4.661 4.740 -0.000 0.000 0.183 142 N C 2.039 177.534 175.510 -0.025 0.000 1.017 142 N CA 1.287 54.365 53.050 0.046 0.000 0.861 142 N CB -1.009 37.542 38.487 0.106 0.000 0.986 142 N HN 0.544 nan 8.380 nan 0.000 0.428 143 G N 1.824 110.619 108.800 -0.007 0.000 2.432 143 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.219 143 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.219 143 G C 1.659 176.525 174.900 -0.057 0.000 1.135 143 G CA 0.200 45.285 45.100 -0.025 0.000 0.767 143 G HN 0.201 nan 8.290 nan 0.000 0.550 144 L N 0.114 121.288 121.223 -0.083 0.000 2.064 144 L HA -0.209 4.131 4.340 -0.000 0.000 0.216 144 L C 2.939 179.757 176.870 -0.087 0.000 1.077 144 L CA 1.225 56.002 54.840 -0.105 0.000 0.766 144 L CB -0.452 41.520 42.059 -0.145 0.000 0.890 144 L HN 0.217 nan 8.230 nan 0.000 0.435 145 M N -0.610 118.933 119.600 -0.094 0.000 2.530 145 M HA -0.114 4.366 4.480 -0.000 0.000 0.261 145 M C 1.711 177.985 176.300 -0.042 0.000 1.067 145 M CA 1.284 56.539 55.300 -0.075 0.000 1.071 145 M CB -0.965 31.588 32.600 -0.078 0.000 1.405 145 M HN 0.301 nan 8.290 nan 0.000 0.478 146 S N -1.195 114.486 115.700 -0.031 0.000 2.593 146 S HA 0.419 4.889 4.470 -0.000 0.000 0.236 146 S C 1.632 176.241 174.600 0.014 0.000 0.991 146 S CA 0.174 58.368 58.200 -0.010 0.000 0.963 146 S CB 0.031 63.225 63.200 -0.009 0.000 0.865 146 S HN 0.391 nan 8.310 nan 0.000 0.488 147 A N 1.930 124.761 122.820 0.019 0.000 2.015 147 A HA 0.170 4.490 4.320 -0.000 0.000 0.219 147 A C 1.218 178.920 177.584 0.198 0.000 1.163 147 A CA 1.024 53.119 52.037 0.098 0.000 0.646 147 A CB -0.429 18.600 19.000 0.048 0.000 0.806 147 A HN 0.512 nan 8.150 nan 0.000 0.448 148 T N -3.732 110.880 114.554 0.097 0.000 2.906 148 T HA 0.629 4.979 4.350 -0.000 0.000 0.295 148 T C 0.660 175.368 174.700 0.013 0.000 1.075 148 T CA -0.138 61.994 62.100 0.053 0.000 1.005 148 T CB 1.878 70.757 68.868 0.019 0.000 1.136 148 T HN 0.304 nan 8.240 nan 0.000 0.498 149 A N 0.739 123.558 122.820 -0.003 0.000 2.132 149 A HA 0.213 4.533 4.320 -0.000 0.000 0.213 149 A C 0.719 178.283 177.584 -0.033 0.000 1.154 149 A CA -0.065 51.962 52.037 -0.016 0.000 0.753 149 A CB -0.727 18.263 19.000 -0.016 0.000 0.826 149 A HN 0.847 nan 8.150 nan 0.000 0.469 150 N N 0.483 119.158 118.700 -0.041 0.000 2.427 150 N HA 0.159 4.899 4.740 -0.000 0.000 0.269 150 N C 0.661 176.126 175.510 -0.075 0.000 1.235 150 N CA -0.391 52.622 53.050 -0.060 0.000 0.934 150 N CB 0.864 39.309 38.487 -0.069 0.000 1.121 150 N HN 0.258 nan 8.380 nan 0.000 0.480 151 I N 2.833 123.354 120.570 -0.081 0.000 2.454 151 I HA -0.207 3.963 4.170 -0.000 0.000 0.254 151 I C 1.074 177.107 176.117 -0.139 0.000 1.156 151 I CA 1.365 62.607 61.300 -0.096 0.000 1.433 151 I CB -0.086 37.862 38.000 -0.086 0.000 1.082 151 I HN 0.546 nan 8.210 nan 0.000 0.432 152 N N 0.438 119.040 118.700 -0.164 0.000 2.314 152 N HA 0.011 4.751 4.740 -0.000 0.000 0.200 152 N C 0.198 175.565 175.510 -0.237 0.000 1.135 152 N CA 0.382 53.285 53.050 -0.244 0.000 0.835 152 N CB 0.054 38.383 38.487 -0.262 0.000 0.989 152 N HN 0.410 nan 8.380 nan 0.000 0.478 153 D N 0.338 120.642 120.400 -0.160 0.000 2.479 153 D HA 0.078 4.718 4.640 -0.000 0.000 0.218 153 D C 0.081 176.324 176.300 -0.094 0.000 1.177 153 D CA 0.211 54.138 54.000 -0.122 0.000 0.830 153 D CB 0.870 41.621 40.800 -0.082 0.000 1.014 153 D HN 0.394 nan 8.370 nan 0.000 0.503 154 K N -0.080 120.253 120.400 -0.112 0.000 2.502 154 K HA 0.660 4.980 4.320 -0.000 0.000 0.257 154 K C -1.431 175.106 176.600 -0.105 0.000 0.938 154 K CA -0.892 55.341 56.287 -0.090 0.000 0.819 154 K CB 2.653 35.110 32.500 -0.071 0.000 1.333 154 K HN -0.179 nan 8.250 nan 0.000 0.434 155 I N 0.680 121.199 120.570 -0.085 0.000 2.656 155 I HA 0.532 4.702 4.170 -0.000 0.000 0.292 155 I C -1.221 174.862 176.117 -0.057 0.000 1.144 155 I CA -0.092 61.166 61.300 -0.069 0.000 1.038 155 I CB 2.470 40.436 38.000 -0.056 0.000 1.244 155 I HN 0.874 nan 8.210 nan 0.000 0.420 156 G N 4.218 112.994 108.800 -0.039 0.000 2.530 156 G HA2 0.420 4.380 3.960 -0.000 0.000 0.316 156 G HA3 0.420 4.380 3.960 -0.000 0.000 0.316 156 G C -0.533 174.380 174.900 0.021 0.000 1.298 156 G CA -0.472 44.607 45.100 -0.034 0.000 0.948 156 G HN 0.673 nan 8.290 nan 0.000 0.486 157 N N -0.196 118.542 118.700 0.064 0.000 2.738 157 N HA -0.167 4.573 4.740 -0.000 0.000 0.249 157 N C 0.327 175.900 175.510 0.104 0.000 1.047 157 N CA 0.667 53.798 53.050 0.136 0.000 0.707 157 N CB -1.036 37.527 38.487 0.127 0.000 0.937 157 N HN 0.416 nan 8.380 nan 0.000 0.545 158 V N 1.129 121.099 119.914 0.094 0.000 2.614 158 V HA 0.106 4.226 4.120 -0.000 0.000 0.291 158 V C 1.460 177.604 176.094 0.084 0.000 1.049 158 V CA -0.527 61.819 62.300 0.077 0.000 1.038 158 V CB 1.017 32.879 31.823 0.065 0.000 0.980 158 V HN 0.177 nan 8.190 nan 0.000 0.481 159 L N 4.757 126.019 121.223 0.065 0.000 2.499 159 L HA 0.052 4.392 4.340 -0.000 0.000 0.273 159 L C 1.464 178.343 176.870 0.015 0.000 1.195 159 L CA -0.022 54.853 54.840 0.058 0.000 0.882 159 L CB 0.606 42.711 42.059 0.077 0.000 1.133 159 L HN 0.505 nan 8.230 nan 0.000 0.483 160 V N 3.499 123.431 119.914 0.031 0.000 2.407 160 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 160 V C 2.268 178.319 176.094 -0.072 0.000 1.055 160 V CA 2.165 64.465 62.300 0.000 0.000 1.049 160 V CB -0.717 31.117 31.823 0.020 0.000 0.662 160 V HN 1.114 nan 8.190 nan 0.000 0.455 161 G N -0.702 108.056 108.800 -0.070 0.000 2.418 161 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 161 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 161 G C 1.554 176.048 174.900 -0.677 0.000 1.158 161 G CA 0.963 45.973 45.100 -0.150 0.000 0.771 161 G HN 0.572 nan 8.290 nan 0.000 0.545 162 E N 0.125 119.879 120.200 -0.744 0.000 2.051 162 E HA 0.263 4.613 4.350 -0.000 0.000 0.189 162 E C 1.344 177.748 176.600 -0.327 0.000 0.979 162 E CA 0.786 56.727 56.400 -0.766 0.000 0.803 162 E CB -0.132 29.344 29.700 -0.374 0.000 0.761 162 E HN 0.476 nan 8.360 nan 0.000 0.451 163 G N -0.101 108.596 108.800 -0.173 0.000 2.712 163 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.683 163 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.683 163 G C -0.948 173.944 174.900 -0.015 0.000 1.320 163 G CA -0.311 44.743 45.100 -0.076 0.000 0.847 163 G HN 0.286 nan 8.290 nan 0.000 0.553 164 V N 0.275 120.197 119.914 0.013 0.000 2.769 164 V HA 0.823 4.943 4.120 -0.000 0.000 0.312 164 V C 0.368 176.468 176.094 0.009 0.000 1.061 164 V CA -0.104 62.222 62.300 0.044 0.000 0.931 164 V CB 2.343 34.207 31.823 0.069 0.000 1.010 164 V HN 1.157 nan 8.190 nan 0.000 0.433 165 T N 3.719 118.278 114.554 0.009 0.000 2.792 165 T HA 0.523 4.872 4.350 -0.000 0.000 0.280 165 T C -0.576 174.080 174.700 -0.074 0.000 0.990 165 T CA -0.309 61.708 62.100 -0.139 0.000 0.960 165 T CB 1.453 70.066 68.868 -0.425 0.000 0.939 165 T HN 0.339 nan 8.240 nan 0.000 0.439 166 V N 4.745 124.557 119.914 -0.169 0.000 2.370 166 V HA 0.478 4.598 4.120 -0.000 0.000 0.279 166 V C -0.357 175.622 176.094 -0.191 0.000 1.029 166 V CA -0.751 61.460 62.300 -0.148 0.000 0.870 166 V CB 1.225 32.876 31.823 -0.287 0.000 0.984 166 V HN 0.649 nan 8.190 nan 0.000 0.451 167 L N 4.902 126.087 121.223 -0.062 0.000 2.333 167 L HA 0.587 4.927 4.340 -0.000 0.000 0.280 167 L C 0.248 177.104 176.870 -0.023 0.000 1.004 167 L CA 0.258 55.064 54.840 -0.056 0.000 0.820 167 L CB 2.032 44.142 42.059 0.086 0.000 1.247 167 L HN 0.632 nan 8.230 nan 0.000 0.416 168 S N 5.978 121.650 115.700 -0.046 0.000 2.422 168 S HA 0.530 5.000 4.470 -0.000 0.000 0.283 168 S C -0.403 174.195 174.600 -0.004 0.000 1.163 168 S CA -0.523 57.663 58.200 -0.023 0.000 1.054 168 S CB -0.317 62.869 63.200 -0.024 0.000 0.967 168 S HN 0.602 nan 8.310 nan 0.000 0.499 169 L N 6.517 127.736 121.223 -0.007 0.000 2.334 169 L HA 0.567 4.907 4.340 -0.000 0.000 0.275 169 L C -1.736 175.106 176.870 -0.046 0.000 1.036 169 L CA -2.355 52.479 54.840 -0.011 0.000 0.807 169 L CB 1.480 43.527 42.059 -0.020 0.000 1.231 169 L HN 0.525 nan 8.230 nan 0.000 0.438 170 P HA 0.081 nan 4.420 nan 0.000 0.271 170 P C -0.559 176.597 177.300 -0.241 0.000 1.218 170 P CA -0.198 62.762 63.100 -0.234 0.000 0.780 170 P CB 0.661 32.025 31.700 -0.561 0.000 0.901 171 T N -2.158 112.244 114.554 -0.253 0.000 3.327 171 T HA 0.491 4.841 4.350 -0.000 0.000 0.373 171 T C -0.269 174.266 174.700 -0.276 0.000 1.589 171 T CA -0.672 61.298 62.100 -0.218 0.000 1.497 171 T CB -0.817 67.964 68.868 -0.146 0.000 1.032 171 T HN 0.635 nan 8.240 nan 0.000 0.640 172 S N 1.236 116.729 115.700 -0.346 0.000 2.912 172 S HA -0.100 4.370 4.470 -0.000 0.000 0.857 172 S C -0.784 173.565 174.600 -0.419 0.000 0.919 172 S CA -0.692 57.321 58.200 -0.311 0.000 1.424 172 S CB -1.053 62.016 63.200 -0.218 0.000 1.019 172 S HN 0.713 nan 8.310 nan 0.000 0.231 173 Y N 2.127 122.394 120.300 -0.055 0.000 2.645 173 Y HA 0.462 5.012 4.550 -0.000 0.000 0.341 173 Y C 1.334 177.196 175.900 -0.064 0.000 1.234 173 Y CA -0.253 57.811 58.100 -0.060 0.000 1.352 173 Y CB 0.415 38.842 38.460 -0.056 0.000 1.556 173 Y HN 0.773 nan 8.280 nan 0.000 0.607 174 D N 0.761 121.254 120.400 0.155 0.000 2.737 174 D HA -0.187 4.453 4.640 -0.000 0.000 0.233 174 D C -1.059 175.267 176.300 0.044 0.000 1.155 174 D CA 0.759 54.801 54.000 0.069 0.000 0.667 174 D CB -1.106 39.725 40.800 0.051 0.000 1.060 174 D HN 0.265 nan 8.370 nan 0.000 0.427 175 L N -0.106 121.139 121.223 0.037 0.000 2.395 175 L HA 0.405 4.745 4.340 -0.000 0.000 0.269 175 L C 1.826 178.773 176.870 0.129 0.000 1.133 175 L CA -0.144 54.706 54.840 0.017 0.000 0.812 175 L CB 0.869 42.881 42.059 -0.078 0.000 1.125 175 L HN 0.033 nan 8.230 nan 0.000 0.452 176 G N 0.593 109.536 108.800 0.238 0.000 2.606 176 G HA2 0.167 4.127 3.960 -0.000 0.000 0.252 176 G HA3 0.167 4.127 3.960 -0.000 0.000 0.252 176 G C -0.876 174.181 174.900 0.262 0.000 1.206 176 G CA -0.333 44.926 45.100 0.264 0.000 0.861 176 G HN 0.343 nan 8.290 nan 0.000 0.561 177 Y N -0.500 119.866 120.300 0.109 0.000 2.511 177 Y HA 0.235 4.785 4.550 -0.000 0.000 0.332 177 Y C 0.886 176.845 175.900 0.098 0.000 1.177 177 Y CA 0.206 58.368 58.100 0.104 0.000 1.422 177 Y CB 1.060 39.557 38.460 0.063 0.000 1.271 177 Y HN 0.149 nan 8.280 nan 0.000 0.550 178 V N 5.373 125.328 119.914 0.067 0.000 2.439 178 V HA 0.311 4.430 4.120 -0.000 0.000 0.282 178 V C 0.135 176.230 176.094 0.002 0.000 1.039 178 V CA -1.190 61.021 62.300 -0.149 0.000 0.913 178 V CB 1.353 32.853 31.823 -0.538 0.000 0.983 178 V HN 0.633 nan 8.190 nan 0.000 0.460 179 R N 3.952 124.412 120.500 -0.067 0.000 2.401 179 R HA 0.364 4.704 4.340 -0.000 0.000 0.299 179 R C -0.420 175.746 176.300 -0.224 0.000 1.064 179 R CA -0.336 55.574 56.100 -0.318 0.000 1.000 179 R CB 0.282 30.357 30.300 -0.374 0.000 0.973 179 R HN 0.625 nan 8.270 nan 0.000 0.438 180 L N 2.218 123.313 121.223 -0.213 0.000 2.475 180 L HA 0.221 4.561 4.340 -0.000 0.000 0.250 180 L C 1.517 178.329 176.870 -0.097 0.000 1.224 180 L CA -0.057 54.714 54.840 -0.115 0.000 0.821 180 L CB 0.520 42.537 42.059 -0.071 0.000 1.141 180 L HN 0.804 nan 8.230 nan 0.000 0.494 181 G N 0.214 108.993 108.800 -0.035 0.000 3.455 181 G HA2 0.033 3.993 3.960 -0.000 0.000 0.250 181 G HA3 0.033 3.993 3.960 -0.000 0.000 0.250 181 G C -0.033 174.846 174.900 -0.036 0.000 1.071 181 G CA -0.404 44.679 45.100 -0.027 0.000 1.812 181 G HN 0.716 nan 8.290 nan 0.000 0.643 182 D N 1.110 121.470 120.400 -0.067 0.000 2.382 182 D HA 0.130 4.770 4.640 -0.000 0.000 0.245 182 D C -2.472 173.799 176.300 -0.049 0.000 1.120 182 D CA -1.545 52.420 54.000 -0.059 0.000 0.890 182 D CB 1.867 42.617 40.800 -0.084 0.000 1.201 182 D HN 0.070 nan 8.370 nan 0.000 0.433 183 P HA 0.154 nan 4.420 nan 0.000 0.268 183 P C -0.444 176.836 177.300 -0.033 0.000 1.205 183 P CA -0.410 62.672 63.100 -0.029 0.000 0.771 183 P CB 0.831 32.518 31.700 -0.022 0.000 0.858 184 I N 5.109 125.662 120.570 -0.029 0.000 2.562 184 I HA 0.405 4.575 4.170 -0.000 0.000 0.301 184 I C -2.227 173.878 176.117 -0.020 0.000 1.003 184 I CA -3.092 58.192 61.300 -0.027 0.000 1.127 184 I CB 1.243 39.225 38.000 -0.029 0.000 1.304 184 I HN 0.210 nan 8.210 nan 0.000 0.446 185 P HA 0.435 nan 4.420 nan 0.000 0.267 185 P C -1.555 175.738 177.300 -0.012 0.000 1.209 185 P CA -0.155 62.937 63.100 -0.014 0.000 0.763 185 P CB 0.479 32.171 31.700 -0.012 0.000 0.816 186 A N 3.469 126.282 122.820 -0.010 0.000 2.566 186 A HA 0.686 5.006 4.320 -0.000 0.000 0.297 186 A C -0.791 176.789 177.584 -0.007 0.000 1.059 186 A CA -0.694 51.338 52.037 -0.009 0.000 0.691 186 A CB 0.962 19.957 19.000 -0.009 0.000 1.282 186 A HN 0.568 nan 8.150 nan 0.000 0.401 187 I N -0.493 120.073 120.570 -0.006 0.000 2.603 187 I HA 1.006 5.176 4.170 -0.000 0.000 0.300 187 I C 0.122 176.236 176.117 -0.004 0.000 1.017 187 I CA -0.857 60.440 61.300 -0.005 0.000 1.098 187 I CB 2.432 40.429 38.000 -0.005 0.000 1.279 187 I HN 0.964 nan 8.210 nan 0.000 0.437 188 G N 3.862 112.660 108.800 -0.004 0.000 2.673 188 G HA2 0.420 4.380 3.960 -0.000 0.000 0.292 188 G HA3 0.420 4.380 3.960 -0.000 0.000 0.292 188 G C -0.206 174.693 174.900 -0.003 0.000 1.450 188 G CA -0.876 44.221 45.100 -0.003 0.000 0.837 188 G HN 0.726 nan 8.290 nan 0.000 0.505 189 L N -0.347 120.875 121.223 -0.003 0.000 2.201 189 L HA 0.061 4.401 4.340 -0.000 0.000 0.212 189 L C 0.821 177.690 176.870 -0.002 0.000 1.105 189 L CA 0.677 55.515 54.840 -0.002 0.000 0.775 189 L CB 0.086 42.144 42.059 -0.002 0.000 0.913 189 L HN 0.379 nan 8.230 nan 0.000 0.440 190 D N -0.273 120.126 120.400 -0.002 0.000 2.295 190 D HA 0.115 4.755 4.640 -0.000 0.000 0.248 190 D C -1.535 174.765 176.300 -0.001 0.000 1.154 190 D CA -2.015 51.984 54.000 -0.001 0.000 0.857 190 D CB 1.756 42.555 40.800 -0.002 0.000 1.117 190 D HN -0.170 nan 8.370 nan 0.000 0.468 191 P HA -0.142 nan 4.420 nan 0.000 0.216 191 P C 0.481 177.781 177.300 0.001 0.000 1.154 191 P CA 1.338 64.438 63.100 0.001 0.000 0.865 191 P CB 0.262 31.963 31.700 0.002 0.000 0.789 192 K N -1.389 119.012 120.400 0.002 0.000 2.504 192 K HA 0.124 4.444 4.320 -0.000 0.000 0.199 192 K C 0.764 177.365 176.600 0.002 0.000 1.028 192 K CA -0.242 56.047 56.287 0.003 0.000 1.164 192 K CB -0.302 32.200 32.500 0.004 0.000 0.877 192 K HN 0.195 nan 8.250 nan 0.000 0.508 193 M N 1.945 121.546 119.600 0.000 0.000 2.219 193 M HA 0.084 4.564 4.480 -0.000 0.000 0.353 193 M C -1.061 175.239 176.300 -0.001 0.000 1.304 193 M CA 0.345 55.645 55.300 -0.001 0.000 1.115 193 M CB 0.701 33.299 32.600 -0.002 0.000 1.664 193 M HN -0.207 nan 8.290 nan 0.000 0.459 194 V N 4.683 124.597 119.914 -0.001 0.000 2.623 194 V HA 0.718 4.838 4.120 -0.000 0.000 0.304 194 V C -0.680 175.411 176.094 -0.005 0.000 1.054 194 V CA -0.836 61.463 62.300 -0.002 0.000 0.882 194 V CB 1.678 33.502 31.823 0.002 0.000 1.002 194 V HN 0.950 nan 8.190 nan 0.000 0.424 195 A N 3.469 126.284 122.820 -0.009 0.000 2.332 195 A HA 0.908 5.228 4.320 -0.000 0.000 0.300 195 A C -0.100 177.472 177.584 -0.020 0.000 1.153 195 A CA -0.286 51.742 52.037 -0.014 0.000 0.764 195 A CB 1.451 20.442 19.000 -0.014 0.000 1.174 195 A HN 0.938 nan 8.150 nan 0.000 0.467 196 T N -1.911 112.628 114.554 -0.025 0.000 2.907 196 T HA 0.612 4.962 4.350 -0.000 0.000 0.290 196 T C -0.629 174.041 174.700 -0.050 0.000 1.066 196 T CA -0.802 61.278 62.100 -0.035 0.000 1.012 196 T CB 1.475 70.326 68.868 -0.027 0.000 1.184 196 T HN 1.033 nan 8.240 nan 0.000 0.522 197 C N 2.284 121.544 119.300 -0.067 0.000 2.293 197 C HA 0.645 5.105 4.460 -0.000 0.000 0.323 197 C C -0.872 174.057 174.990 -0.101 0.000 1.240 197 C CA -0.483 58.483 59.018 -0.086 0.000 1.497 197 C CB -1.009 26.673 27.740 -0.097 0.000 2.171 197 C HN 0.885 nan 8.230 nan 0.000 0.465 198 D N 2.898 123.239 120.400 -0.097 0.000 2.277 198 D HA 0.311 4.951 4.640 -0.000 0.000 0.250 198 D C -0.057 176.194 176.300 -0.080 0.000 1.032 198 D CA 0.001 53.953 54.000 -0.080 0.000 0.947 198 D CB 1.569 42.328 40.800 -0.069 0.000 1.159 198 D HN 0.548 nan 8.370 nan 0.000 0.460 199 S N 0.037 115.699 115.700 -0.064 0.000 2.555 199 S HA 0.124 4.594 4.470 -0.000 0.000 0.293 199 S C 1.063 175.660 174.600 -0.006 0.000 1.248 199 S CA -0.120 58.035 58.200 -0.074 0.000 1.096 199 S CB 0.152 63.287 63.200 -0.107 0.000 0.881 199 S HN 0.523 nan 8.310 nan 0.000 0.498 200 S N 1.293 116.992 115.700 -0.002 0.000 3.019 200 S HA 0.120 4.590 4.470 -0.000 0.000 0.258 200 S C -0.364 174.280 174.600 0.074 0.000 1.082 200 S CA -0.531 57.697 58.200 0.048 0.000 0.836 200 S CB -0.464 62.732 63.200 -0.008 0.000 0.834 200 S HN 0.569 nan 8.310 nan 0.000 0.457 201 D N 3.476 123.913 120.400 0.061 0.000 2.571 201 D HA 0.229 4.869 4.640 -0.000 0.000 0.231 201 D C 0.104 176.475 176.300 0.119 0.000 1.133 201 D CA 0.640 54.695 54.000 0.092 0.000 0.862 201 D CB -0.063 40.806 40.800 0.115 0.000 1.179 201 D HN 0.182 nan 8.370 nan 0.000 0.474 202 R N -0.446 120.117 120.500 0.105 0.000 3.144 202 R HA -0.103 4.237 4.340 -0.000 0.000 0.255 202 R C -2.478 173.868 176.300 0.075 0.000 0.949 202 R CA -0.022 56.134 56.100 0.094 0.000 0.649 202 R CB -1.841 28.546 30.300 0.144 0.000 1.229 202 R HN 0.451 nan 8.270 nan 0.000 0.440 203 P HA 0.093 nan 4.420 nan 0.000 0.272 203 P C -0.279 177.009 177.300 -0.021 0.000 1.230 203 P CA -0.144 62.978 63.100 0.038 0.000 0.788 203 P CB 0.746 32.476 31.700 0.051 0.000 0.949 204 R N 1.093 121.556 120.500 -0.062 0.000 2.407 204 R HA 0.523 4.863 4.340 -0.000 0.000 0.303 204 R C -1.381 174.796 176.300 -0.205 0.000 0.981 204 R CA -0.738 55.267 56.100 -0.159 0.000 0.905 204 R CB 0.905 31.093 30.300 -0.186 0.000 1.099 204 R HN 0.257 nan 8.270 nan 0.000 0.459 205 V N 5.471 125.229 119.914 -0.261 0.000 2.444 205 V HA 0.362 4.482 4.120 -0.000 0.000 0.294 205 V C -1.202 174.721 176.094 -0.284 0.000 1.022 205 V CA -0.702 61.481 62.300 -0.194 0.000 0.850 205 V CB 1.448 33.213 31.823 -0.097 0.000 0.992 205 V HN 0.689 nan 8.190 nan 0.000 0.426 206 Y N 1.844 122.123 120.300 -0.035 0.000 2.342 206 Y HA 0.594 5.144 4.550 -0.000 0.000 0.334 206 Y C 0.772 176.633 175.900 -0.064 0.000 1.067 206 Y CA -0.505 57.571 58.100 -0.040 0.000 1.128 206 Y CB 2.018 40.460 38.460 -0.030 0.000 1.200 206 Y HN 0.498 nan 8.280 nan 0.000 0.464 207 T N 5.199 119.798 114.554 0.075 0.000 2.786 207 T HA 0.579 4.929 4.350 -0.000 0.000 0.283 207 T C -0.567 174.086 174.700 -0.077 0.000 0.992 207 T CA -0.520 61.568 62.100 -0.020 0.000 0.954 207 T CB 0.317 69.163 68.868 -0.036 0.000 0.934 207 T HN 0.376 nan 8.240 nan 0.000 0.440 208 I N 2.874 123.337 120.570 -0.178 0.000 2.411 208 I HA 0.244 4.414 4.170 -0.000 0.000 0.284 208 I C 0.259 176.165 176.117 -0.352 0.000 1.012 208 I CA -0.640 60.461 61.300 -0.333 0.000 1.119 208 I CB 1.711 39.351 38.000 -0.600 0.000 1.261 208 I HN 0.478 nan 8.210 nan 0.000 0.448 209 T N 5.786 120.182 114.554 -0.263 0.000 2.863 209 T HA 0.204 4.554 4.350 -0.000 0.000 0.299 209 T C 1.221 175.767 174.700 -0.256 0.000 0.973 209 T CA -0.226 61.747 62.100 -0.211 0.000 0.994 209 T CB 1.051 69.845 68.868 -0.122 0.000 0.961 209 T HN 0.753 nan 8.240 nan 0.000 0.552 210 A N 2.904 125.537 122.820 -0.312 0.000 2.014 210 A HA 0.554 4.874 4.320 -0.000 0.000 0.218 210 A C 1.224 178.772 177.584 -0.060 0.000 1.163 210 A CA 0.606 52.486 52.037 -0.260 0.000 0.652 210 A CB 0.104 19.020 19.000 -0.140 0.000 0.808 210 A HN 0.885 nan 8.150 nan 0.000 0.449 211 A N -0.860 121.935 122.820 -0.042 0.000 2.540 211 A HA 0.543 4.863 4.320 -0.000 0.000 0.297 211 A C -1.982 175.621 177.584 0.031 0.000 1.056 211 A CA -0.351 51.713 52.037 0.045 0.000 0.700 211 A CB 1.057 20.128 19.000 0.118 0.000 1.280 211 A HN 0.026 nan 8.150 nan 0.000 0.398 212 D N 2.180 122.625 120.400 0.075 0.000 2.375 212 D HA 0.428 5.067 4.640 -0.000 0.000 0.259 212 D C -0.788 175.566 176.300 0.090 0.000 1.235 212 D CA 0.255 54.288 54.000 0.054 0.000 0.924 212 D CB 0.431 41.249 40.800 0.031 0.000 1.143 212 D HN 0.470 nan 8.370 nan 0.000 0.529 213 D N 2.040 122.494 120.400 0.089 0.000 2.686 213 D HA -0.296 4.344 4.640 -0.000 0.000 0.235 213 D C -0.503 175.883 176.300 0.143 0.000 1.160 213 D CA 0.567 54.627 54.000 0.101 0.000 0.645 213 D CB -1.821 39.016 40.800 0.062 0.000 1.039 213 D HN 0.457 nan 8.370 nan 0.000 0.423 214 Y N 1.304 121.667 120.300 0.105 0.000 2.537 214 Y HA 0.146 4.696 4.550 -0.000 0.000 0.339 214 Y C 0.495 176.488 175.900 0.155 0.000 1.066 214 Y CA -0.095 58.084 58.100 0.131 0.000 1.357 214 Y CB 0.528 39.092 38.460 0.174 0.000 1.175 214 Y HN -0.022 nan 8.280 nan 0.000 0.525 215 Q N 7.381 126.799 119.800 -0.637 0.000 2.288 215 Q HA 0.160 4.500 4.340 -0.000 0.000 0.258 215 Q C -1.201 174.205 176.000 -0.990 0.000 0.957 215 Q CA -0.267 55.196 55.803 -0.566 0.000 0.919 215 Q CB 1.476 30.012 28.738 -0.337 0.000 1.185 215 Q HN 0.753 nan 8.270 nan 0.000 0.408 216 F N 1.213 120.624 119.950 -0.899 0.000 2.469 216 F HA 0.510 5.037 4.527 -0.000 0.000 0.332 216 F C -0.570 174.870 175.800 -0.599 0.000 1.103 216 F CA -0.510 56.938 58.000 -0.920 0.000 0.979 216 F CB 1.765 39.720 39.000 -1.742 0.000 1.137 216 F HN 0.372 nan 8.300 nan 0.000 0.463 217 S N 4.044 118.982 115.700 -1.271 0.000 2.603 217 S HA 0.667 5.137 4.470 -0.000 0.000 0.274 217 S C -1.458 172.596 174.600 -0.910 0.000 1.168 217 S CA -0.389 57.292 58.200 -0.865 0.000 0.963 217 S CB 1.224 64.157 63.200 -0.446 0.000 1.078 217 S HN 0.950 nan 8.310 nan 0.000 0.477 218 S N 2.797 118.113 115.700 -0.641 0.000 2.565 218 S HA 0.403 4.873 4.470 -0.000 0.000 0.274 218 S C -1.826 172.700 174.600 -0.123 0.000 1.144 218 S CA -0.617 57.361 58.200 -0.370 0.000 0.849 218 S CB 1.438 64.407 63.200 -0.385 0.000 1.103 218 S HN 0.747 nan 8.310 nan 0.000 0.455 219 Q N 1.582 121.350 119.800 -0.054 0.000 2.354 219 Q HA 0.205 4.545 4.340 -0.000 0.000 0.244 219 Q C -0.726 175.328 176.000 0.091 0.000 0.969 219 Q CA -0.207 55.611 55.803 0.025 0.000 0.885 219 Q CB 0.509 29.255 28.738 0.013 0.000 1.241 219 Q HN 0.722 nan 8.270 nan 0.000 0.461 220 Y N 1.801 122.115 120.300 0.022 0.000 2.788 220 Y HA -0.078 4.472 4.550 -0.000 0.000 0.341 220 Y C -0.480 175.443 175.900 0.037 0.000 1.258 220 Y CA 0.653 58.777 58.100 0.040 0.000 1.503 220 Y CB 0.467 38.946 38.460 0.030 0.000 1.325 220 Y HN 0.481 nan 8.280 nan 0.000 0.614 221 Q N 6.934 126.209 119.800 -0.875 0.000 2.268 221 Q HA 0.419 4.759 4.340 -0.000 0.000 0.266 221 Q C -2.966 172.446 176.000 -0.979 0.000 1.006 221 Q CA -2.541 52.779 55.803 -0.806 0.000 0.824 221 Q CB 2.063 30.629 28.738 -0.286 0.000 1.306 221 Q HN 0.413 nan 8.270 nan 0.000 0.424 222 P HA 0.151 nan 4.420 nan 0.000 0.263 222 P C 0.510 177.721 177.300 -0.148 0.000 1.195 222 P CA 1.333 64.271 63.100 -0.271 0.000 0.762 222 P CB 0.762 32.395 31.700 -0.112 0.000 0.799 223 G N 2.170 110.935 108.800 -0.059 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 0.463 175.350 174.900 -0.022 0.000 1.010 223 G CA 0.237 45.319 45.100 -0.030 0.000 0.618 223 G HN 1.065 nan 8.290 nan 0.000 0.516 224 G N -2.281 106.489 108.800 -0.051 0.000 2.655 224 G HA2 0.318 4.278 3.960 -0.000 0.000 0.680 224 G HA3 0.318 4.278 3.960 -0.000 0.000 0.680 224 G C -0.584 174.326 174.900 0.017 0.000 1.302 224 G CA 0.083 45.184 45.100 0.003 0.000 0.872 224 G HN 1.548 nan 8.290 nan 0.000 0.540 225 V N 0.875 120.842 119.914 0.089 0.000 2.407 225 V HA 0.644 4.764 4.120 -0.000 0.000 0.291 225 V C 0.426 176.605 176.094 0.141 0.000 1.018 225 V CA -0.219 62.163 62.300 0.136 0.000 0.842 225 V CB 1.557 33.530 31.823 0.250 0.000 0.996 225 V HN 0.997 nan 8.190 nan 0.000 0.426 226 T N 6.892 121.509 114.554 0.106 0.000 2.799 226 T HA 0.723 5.073 4.350 -0.000 0.000 0.286 226 T C -0.171 174.603 174.700 0.123 0.000 0.973 226 T CA -0.078 62.077 62.100 0.092 0.000 1.035 226 T CB 0.876 69.780 68.868 0.059 0.000 0.932 226 T HN 0.650 nan 8.240 nan 0.000 0.469 227 I N -0.667 119.983 120.570 0.133 0.000 2.785 227 I HA 0.666 4.836 4.170 -0.000 0.000 0.302 227 I C -0.441 175.735 176.117 0.100 0.000 1.069 227 I CA -0.929 60.461 61.300 0.151 0.000 1.045 227 I CB 2.329 40.481 38.000 0.254 0.000 1.236 227 I HN 0.300 nan 8.210 nan 0.000 0.429 228 T N 5.002 119.593 114.554 0.063 0.000 2.832 228 T HA 0.240 4.590 4.350 -0.000 0.000 0.313 228 T C 0.739 175.448 174.700 0.014 0.000 1.035 228 T CA -0.273 61.832 62.100 0.009 0.000 0.950 228 T CB 1.046 69.895 68.868 -0.031 0.000 0.984 228 T HN 0.596 nan 8.240 nan 0.000 0.486 229 L N 4.503 125.741 121.223 0.026 0.000 2.046 229 L HA 0.233 4.573 4.340 -0.000 0.000 0.208 229 L C 0.220 177.162 176.870 0.119 0.000 1.077 229 L CA 1.765 56.649 54.840 0.074 0.000 0.747 229 L CB -0.279 41.895 42.059 0.192 0.000 0.896 229 L HN 0.709 nan 8.230 nan 0.000 0.432 230 F N -3.293 116.652 119.950 -0.008 0.000 2.713 230 F HA 0.653 5.180 4.527 -0.000 0.000 0.311 230 F C -0.716 175.077 175.800 -0.011 0.000 1.141 230 F CA -0.914 57.069 58.000 -0.028 0.000 0.939 230 F CB 0.753 39.726 39.000 -0.044 0.000 1.325 230 F HN -0.307 nan 8.300 nan 0.000 0.453 231 S N 1.151 116.967 115.700 0.194 0.000 2.575 231 S HA 0.891 5.361 4.470 -0.000 0.000 0.278 231 S C -1.519 173.203 174.600 0.203 0.000 1.139 231 S CA 0.076 58.329 58.200 0.089 0.000 0.954 231 S CB 1.250 64.448 63.200 -0.002 0.000 1.054 231 S HN 1.654 nan 8.310 nan 0.000 0.483 232 A N 3.909 126.832 122.820 0.173 0.000 2.455 232 A HA 0.704 5.024 4.320 -0.000 0.000 0.300 232 A C -1.156 176.415 177.584 -0.022 0.000 1.040 232 A CA -0.885 51.201 52.037 0.081 0.000 0.697 232 A CB 1.045 20.093 19.000 0.081 0.000 1.265 232 A HN 0.715 nan 8.150 nan 0.000 0.407 233 N N 1.475 120.145 118.700 -0.051 0.000 2.452 233 N HA 0.523 5.263 4.740 -0.000 0.000 0.266 233 N C -0.204 175.175 175.510 -0.219 0.000 1.175 233 N CA 0.297 53.300 53.050 -0.077 0.000 0.945 233 N CB 0.502 38.978 38.487 -0.018 0.000 1.063 233 N HN 0.745 nan 8.380 nan 0.000 0.472 234 I N -2.167 118.249 120.570 -0.257 0.000 3.264 234 I HA 0.611 4.781 4.170 -0.000 0.000 0.315 234 I C -1.070 174.992 176.117 -0.091 0.000 1.154 234 I CA -0.967 60.036 61.300 -0.495 0.000 0.962 234 I CB 2.677 40.211 38.000 -0.776 0.000 1.265 234 I HN 0.028 nan 8.210 nan 0.000 0.463 235 D N 2.064 122.518 120.400 0.090 0.000 2.646 235 D HA 0.716 5.356 4.640 -0.000 0.000 0.245 235 D C -1.174 175.209 176.300 0.138 0.000 1.099 235 D CA -0.223 53.861 54.000 0.142 0.000 0.849 235 D CB 2.405 43.321 40.800 0.192 0.000 1.448 235 D HN 0.901 nan 8.370 nan 0.000 0.489 236 A N 2.018 124.884 122.820 0.077 0.000 2.517 236 A HA 0.534 4.854 4.320 -0.000 0.000 0.297 236 A C -0.183 177.402 177.584 0.002 0.000 1.050 236 A CA -0.518 51.550 52.037 0.052 0.000 0.694 236 A CB 0.923 19.953 19.000 0.050 0.000 1.277 236 A HN 0.551 nan 8.150 nan 0.000 0.400 237 I N 0.535 121.091 120.570 -0.024 0.000 4.124 237 I HA 0.120 4.290 4.170 -0.000 0.000 0.311 237 I C 1.262 177.367 176.117 -0.020 0.000 1.259 237 I CA 1.057 62.304 61.300 -0.089 0.000 1.315 237 I CB 0.653 38.500 38.000 -0.255 0.000 1.223 237 I HN 0.787 nan 8.210 nan 0.000 0.441 238 T N -1.464 113.117 114.554 0.045 0.000 2.762 238 T HA 0.411 4.761 4.350 -0.000 0.000 0.272 238 T C 0.322 175.072 174.700 0.084 0.000 0.982 238 T CA -0.489 61.656 62.100 0.076 0.000 1.013 238 T CB 1.151 70.094 68.868 0.125 0.000 1.309 238 T HN 0.123 nan 8.240 nan 0.000 0.572 239 S N 0.630 116.398 115.700 0.112 0.000 2.558 239 S HA 0.370 4.840 4.470 -0.000 0.000 0.291 239 S C 0.039 174.748 174.600 0.182 0.000 1.306 239 S CA -0.439 57.855 58.200 0.156 0.000 1.056 239 S CB -0.985 62.327 63.200 0.188 0.000 0.836 239 S HN 1.184 nan 8.310 nan 0.000 0.504 240 L N -0.461 120.830 121.223 0.114 0.000 2.491 240 L HA 0.950 5.290 4.340 -0.000 0.000 0.254 240 L C -0.655 176.218 176.870 0.005 0.000 1.048 240 L CA -1.003 53.802 54.840 -0.058 0.000 0.855 240 L CB 1.885 43.927 42.059 -0.027 0.000 1.466 240 L HN 0.852 nan 8.230 nan 0.000 0.409 241 S N -0.157 115.502 115.700 -0.068 0.000 2.569 241 S HA 0.882 5.352 4.470 -0.000 0.000 0.280 241 S C -1.069 173.556 174.600 0.041 0.000 1.111 241 S CA -0.684 57.543 58.200 0.044 0.000 0.887 241 S CB 1.977 65.251 63.200 0.123 0.000 1.095 241 S HN 0.659 nan 8.310 nan 0.000 0.476 242 V N 1.596 121.562 119.914 0.087 0.000 2.444 242 V HA 0.839 4.959 4.120 -0.000 0.000 0.294 242 V C 0.712 176.889 176.094 0.139 0.000 1.022 242 V CA 0.002 62.367 62.300 0.108 0.000 0.850 242 V CB 1.175 33.096 31.823 0.163 0.000 0.992 242 V HN 1.239 nan 8.190 nan 0.000 0.426 243 G N 1.837 110.692 108.800 0.092 0.000 2.714 243 G HA2 0.905 4.865 3.960 -0.000 0.000 0.292 243 G HA3 0.905 4.865 3.960 -0.000 0.000 0.292 243 G C -0.142 174.793 174.900 0.057 0.000 1.308 243 G CA -0.222 44.941 45.100 0.106 0.000 0.964 243 G HN 1.476 nan 8.290 nan 0.000 0.484 244 G N -1.124 107.727 108.800 0.085 0.000 2.373 244 G HA2 0.348 4.308 3.960 -0.000 0.000 0.634 244 G HA3 0.348 4.308 3.960 -0.000 0.000 0.634 244 G C -0.994 173.993 174.900 0.145 0.000 1.267 244 G CA 0.049 45.169 45.100 0.033 0.000 1.008 244 G HN 0.929 nan 8.290 nan 0.000 0.497 245 E N -1.151 119.101 120.200 0.087 0.000 2.354 245 E HA 0.547 4.897 4.350 -0.000 0.000 0.283 245 E C -0.954 175.704 176.600 0.097 0.000 0.938 245 E CA -0.762 55.750 56.400 0.186 0.000 0.777 245 E CB 1.580 31.348 29.700 0.113 0.000 1.222 245 E HN 0.601 nan 8.360 nan 0.000 0.423 246 L N 2.929 124.262 121.223 0.185 0.000 2.334 246 L HA 0.637 4.977 4.340 -0.000 0.000 0.275 246 L C -0.665 176.149 176.870 -0.093 0.000 1.036 246 L CA -1.109 53.715 54.840 -0.028 0.000 0.807 246 L CB 1.788 43.826 42.059 -0.034 0.000 1.231 246 L HN 0.296 nan 8.230 nan 0.000 0.438 247 V N 2.568 122.324 119.914 -0.263 0.000 2.487 247 V HA 0.444 4.564 4.120 -0.000 0.000 0.298 247 V C -0.703 175.197 176.094 -0.322 0.000 1.028 247 V CA -0.442 61.769 62.300 -0.148 0.000 0.860 247 V CB 1.632 33.423 31.823 -0.052 0.000 0.991 247 V HN 0.371 nan 8.190 nan 0.000 0.427 248 F N 4.339 124.283 119.950 -0.010 0.000 2.469 248 F HA 0.717 5.244 4.527 -0.000 0.000 0.332 248 F C 0.558 176.389 175.800 0.052 0.000 1.103 248 F CA -0.683 57.311 58.000 -0.010 0.000 0.979 248 F CB 1.693 40.587 39.000 -0.176 0.000 1.137 248 F HN 0.250 nan 8.300 nan 0.000 0.463 249 R N 1.151 121.824 120.500 0.288 0.000 2.803 249 R HA 0.763 5.103 4.340 -0.000 0.000 0.276 249 R C -0.840 175.625 176.300 0.275 0.000 0.978 249 R CA -0.812 55.421 56.100 0.221 0.000 0.939 249 R CB 2.161 32.556 30.300 0.159 0.000 1.179 249 R HN 0.696 nan 8.270 nan 0.000 0.472 250 T N -1.053 113.626 114.554 0.209 0.000 2.886 250 T HA 0.228 4.577 4.350 -0.000 0.000 0.330 250 T C -0.124 174.663 174.700 0.146 0.000 1.488 250 T CA -0.375 61.852 62.100 0.210 0.000 1.054 250 T CB 1.446 70.465 68.868 0.253 0.000 1.348 250 T HN 0.430 nan 8.240 nan 0.000 0.489 251 S N 1.022 116.798 115.700 0.127 0.000 2.523 251 S HA 0.261 4.731 4.470 -0.000 0.000 0.217 251 S C 0.246 174.909 174.600 0.104 0.000 0.996 251 S CA -0.133 58.126 58.200 0.098 0.000 0.921 251 S CB 0.410 63.654 63.200 0.072 0.000 0.829 251 S HN 0.580 nan 8.310 nan 0.000 0.495 252 V N 3.035 123.023 119.914 0.122 0.000 2.407 252 V HA 0.324 4.444 4.120 -0.000 0.000 0.278 252 V C -0.087 176.089 176.094 0.138 0.000 1.037 252 V CA -0.819 61.553 62.300 0.120 0.000 0.900 252 V CB 0.628 32.517 31.823 0.110 0.000 0.983 252 V HN 0.399 nan 8.190 nan 0.000 0.459 253 H N 3.342 122.437 119.070 0.043 0.000 2.562 253 H HA 0.544 5.100 4.556 -0.000 0.000 0.352 253 H C 0.924 176.267 175.328 0.025 0.000 1.125 253 H CA 0.759 56.826 56.048 0.031 0.000 1.379 253 H CB 1.247 31.020 29.762 0.018 0.000 1.464 253 H HN 0.970 nan 8.280 nan 0.000 0.563 254 G N 3.858 112.208 108.800 -0.749 0.000 2.142 254 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.225 254 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.225 254 G C -0.430 174.347 174.900 -0.205 0.000 1.015 254 G CA 0.125 44.893 45.100 -0.553 0.000 0.716 254 G HN 0.612 nan 8.290 nan 0.000 0.508 255 L N 0.226 121.380 121.223 -0.115 0.000 2.289 255 L HA 0.666 5.006 4.340 -0.000 0.000 0.285 255 L C 0.306 177.138 176.870 -0.063 0.000 1.049 255 L CA -1.073 53.753 54.840 -0.024 0.000 0.804 255 L CB 1.793 43.895 42.059 0.071 0.000 1.195 255 L HN -0.047 nan 8.230 nan 0.000 0.428 256 V N 4.929 124.811 119.914 -0.053 0.000 2.448 256 V HA 0.440 4.560 4.120 -0.000 0.000 0.295 256 V C 0.010 176.028 176.094 -0.127 0.000 1.025 256 V CA -0.475 61.771 62.300 -0.090 0.000 0.859 256 V CB 2.196 33.982 31.823 -0.062 0.000 0.988 256 V HN 0.526 nan 8.190 nan 0.000 0.431 257 L N 3.943 125.035 121.223 -0.219 0.000 2.317 257 L HA 0.811 5.151 4.340 -0.000 0.000 0.281 257 L C 0.586 177.312 176.870 -0.239 0.000 1.024 257 L CA -0.321 54.332 54.840 -0.312 0.000 0.810 257 L CB 1.920 43.614 42.059 -0.609 0.000 1.240 257 L HN 0.774 nan 8.230 nan 0.000 0.427 258 G N 1.717 110.401 108.800 -0.193 0.000 2.452 258 G HA2 0.769 4.729 3.960 -0.000 0.000 0.324 258 G HA3 0.769 4.729 3.960 -0.000 0.000 0.324 258 G C -1.403 173.408 174.900 -0.148 0.000 1.214 258 G CA -0.394 44.618 45.100 -0.148 0.000 0.947 258 G HN 0.736 nan 8.290 nan 0.000 0.478 259 A N 1.168 123.902 122.820 -0.142 0.000 2.459 259 A HA 0.863 5.183 4.320 -0.000 0.000 0.296 259 A C -0.455 177.049 177.584 -0.132 0.000 1.039 259 A CA -0.572 51.399 52.037 -0.110 0.000 0.698 259 A CB 1.843 20.781 19.000 -0.104 0.000 1.261 259 A HN 0.784 nan 8.150 nan 0.000 0.405 260 T N 2.500 116.984 114.554 -0.117 0.000 2.886 260 T HA 0.551 4.901 4.350 -0.000 0.000 0.292 260 T C -0.554 173.977 174.700 -0.282 0.000 1.012 260 T CA -0.236 61.708 62.100 -0.260 0.000 0.982 260 T CB 1.116 69.750 68.868 -0.390 0.000 1.018 260 T HN 0.508 nan 8.240 nan 0.000 0.451 261 I N 3.074 123.465 120.570 -0.298 0.000 2.359 261 I HA 0.394 4.564 4.170 -0.000 0.000 0.294 261 I C -1.050 174.855 176.117 -0.352 0.000 0.987 261 I CA -0.775 60.413 61.300 -0.186 0.000 1.225 261 I CB 1.049 39.059 38.000 0.018 0.000 1.366 261 I HN 0.631 nan 8.210 nan 0.000 0.466 262 Y N 6.260 126.534 120.300 -0.042 0.000 2.364 262 Y HA 0.488 5.038 4.550 -0.000 0.000 0.340 262 Y C -0.279 175.599 175.900 -0.037 0.000 0.975 262 Y CA -0.728 57.348 58.100 -0.040 0.000 1.089 262 Y CB 1.547 39.975 38.460 -0.054 0.000 1.192 262 Y HN 0.301 nan 8.280 nan 0.000 0.454 263 L N 5.298 126.588 121.223 0.112 0.000 2.265 263 L HA 0.455 4.795 4.340 -0.000 0.000 0.289 263 L C -0.813 176.091 176.870 0.058 0.000 1.033 263 L CA -0.570 54.307 54.840 0.063 0.000 0.814 263 L CB 0.671 42.752 42.059 0.036 0.000 1.203 263 L HN 0.478 nan 8.230 nan 0.000 0.423 264 I N 2.403 122.994 120.570 0.035 0.000 2.392 264 I HA 0.405 4.575 4.170 -0.000 0.000 0.295 264 I C 0.912 177.038 176.117 0.014 0.000 0.985 264 I CA -0.217 61.092 61.300 0.015 0.000 1.221 264 I CB 1.413 39.405 38.000 -0.013 0.000 1.366 264 I HN 0.551 nan 8.210 nan 0.000 0.467 265 G N 3.275 112.084 108.800 0.014 0.000 2.562 265 G HA2 0.182 4.142 3.960 -0.000 0.000 0.275 265 G HA3 0.182 4.142 3.960 -0.000 0.000 0.275 265 G C 0.450 175.392 174.900 0.071 0.000 1.196 265 G CA -0.345 44.782 45.100 0.045 0.000 0.908 265 G HN 0.592 nan 8.290 nan 0.000 0.524 266 F N 0.680 120.608 119.950 -0.037 0.000 2.192 266 F HA -0.167 4.360 4.527 -0.000 0.000 0.301 266 F C 2.163 177.868 175.800 -0.159 0.000 1.079 266 F CA 2.052 59.955 58.000 -0.161 0.000 1.303 266 F CB 0.239 39.020 39.000 -0.365 0.000 1.024 266 F HN 0.436 nan 8.300 nan 0.000 0.494 267 D N -1.031 119.351 120.400 -0.031 0.000 2.336 267 D HA 0.154 4.794 4.640 -0.000 0.000 0.228 267 D C 1.771 178.040 176.300 -0.053 0.000 1.120 267 D CA 0.669 54.647 54.000 -0.036 0.000 0.839 267 D CB -0.598 40.348 40.800 0.243 0.000 0.932 267 D HN 0.402 nan 8.370 nan 0.000 0.509 268 G N -0.588 108.158 108.800 -0.090 0.000 2.184 268 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.264 268 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.264 268 G C 0.471 175.346 174.900 -0.042 0.000 0.975 268 G CA 0.500 45.553 45.100 -0.079 0.000 0.642 268 G HN 0.512 nan 8.290 nan 0.000 0.536 269 T N 1.686 116.237 114.554 -0.005 0.000 2.910 269 T HA 0.503 4.853 4.350 -0.000 0.000 0.293 269 T C 0.720 175.423 174.700 0.006 0.000 1.015 269 T CA 0.626 62.731 62.100 0.009 0.000 1.094 269 T CB 0.822 69.718 68.868 0.047 0.000 0.968 269 T HN 0.198 nan 8.240 nan 0.000 0.521 270 T N 3.677 118.238 114.554 0.011 0.000 2.769 270 T HA 0.148 4.498 4.350 -0.000 0.000 0.293 270 T C 1.457 176.182 174.700 0.042 0.000 0.931 270 T CA -0.471 61.655 62.100 0.044 0.000 1.139 270 T CB 0.691 69.609 68.868 0.083 0.000 0.881 270 T HN 0.365 nan 8.240 nan 0.000 0.532 271 V N 4.098 124.032 119.914 0.033 0.000 2.492 271 V HA 0.275 4.395 4.120 -0.000 0.000 0.241 271 V C 0.698 176.804 176.094 0.021 0.000 1.041 271 V CA 0.892 63.196 62.300 0.006 0.000 1.057 271 V CB -0.020 31.790 31.823 -0.021 0.000 0.711 271 V HN 0.723 nan 8.190 nan 0.000 0.468 272 I N -0.346 120.246 120.570 0.037 0.000 2.619 272 I HA 0.431 4.601 4.170 -0.000 0.000 0.292 272 I C -0.576 175.556 176.117 0.025 0.000 1.100 272 I CA -0.056 61.258 61.300 0.024 0.000 1.043 272 I CB 2.435 40.441 38.000 0.010 0.000 1.239 272 I HN 0.045 nan 8.210 nan 0.000 0.420 273 T N 5.719 120.261 114.554 -0.019 0.000 2.840 273 T HA 0.582 4.932 4.350 -0.000 0.000 0.287 273 T C -0.988 173.610 174.700 -0.170 0.000 0.991 273 T CA -0.663 61.353 62.100 -0.140 0.000 0.964 273 T CB 0.713 69.542 68.868 -0.064 0.000 0.954 273 T HN 0.419 nan 8.240 nan 0.000 0.438 274 R N 3.329 123.685 120.500 -0.241 0.000 2.483 274 R HA 0.588 4.928 4.340 -0.000 0.000 0.303 274 R C -0.297 175.876 176.300 -0.212 0.000 0.987 274 R CA -0.684 55.313 56.100 -0.171 0.000 0.881 274 R CB 1.523 31.762 30.300 -0.101 0.000 1.177 274 R HN 0.850 nan 8.270 nan 0.000 0.451 275 A N 2.796 125.508 122.820 -0.180 0.000 2.491 275 A HA 0.185 4.505 4.320 -0.000 0.000 0.261 275 A C 1.093 178.569 177.584 -0.181 0.000 1.101 275 A CA -0.170 51.762 52.037 -0.176 0.000 0.772 275 A CB 0.359 19.279 19.000 -0.133 0.000 1.043 275 A HN 0.524 nan 8.150 nan 0.000 0.501 276 V N 2.025 121.802 119.914 -0.227 0.000 2.949 276 V HA 0.344 4.464 4.120 -0.000 0.000 0.245 276 V C 1.124 177.030 176.094 -0.312 0.000 1.086 276 V CA 1.713 63.815 62.300 -0.330 0.000 1.097 276 V CB -0.135 31.362 31.823 -0.544 0.000 0.762 276 V HN 1.180 nan 8.190 nan 0.000 0.470 277 A N -0.266 122.405 122.820 -0.247 0.000 2.485 277 A HA 0.821 5.141 4.320 -0.000 0.000 0.285 277 A C -0.700 176.784 177.584 -0.166 0.000 1.045 277 A CA 0.198 52.114 52.037 -0.201 0.000 0.792 277 A CB 1.084 19.952 19.000 -0.220 0.000 1.307 277 A HN 0.408 nan 8.150 nan 0.000 0.406 278 A N 2.281 125.022 122.820 -0.132 0.000 2.337 278 A HA 0.782 5.102 4.320 -0.000 0.000 0.331 278 A C 0.352 177.876 177.584 -0.100 0.000 1.137 278 A CA -0.116 51.856 52.037 -0.108 0.000 0.807 278 A CB 0.288 19.236 19.000 -0.086 0.000 1.250 278 A HN 2.285 nan 8.150 nan 0.000 0.468 279 N N 1.014 119.659 118.700 -0.090 0.000 2.558 279 N HA -0.225 4.515 4.740 -0.000 0.000 0.302 279 N C -0.907 174.547 175.510 -0.092 0.000 1.322 279 N CA 1.028 54.030 53.050 -0.080 0.000 0.687 279 N CB -0.387 38.066 38.487 -0.057 0.000 0.992 279 N HN 0.772 nan 8.380 nan 0.000 0.524 280 N N 2.501 121.132 118.700 -0.116 0.000 2.621 280 N HA 0.312 5.052 4.740 -0.000 0.000 0.271 280 N C -0.362 175.068 175.510 -0.132 0.000 1.181 280 N CA 0.149 53.123 53.050 -0.127 0.000 0.805 280 N CB 1.015 39.401 38.487 -0.169 0.000 1.351 280 N HN 0.579 nan 8.380 nan 0.000 0.539 281 G N 2.361 111.106 108.800 -0.092 0.000 2.398 281 G HA2 0.361 4.321 3.960 -0.000 0.000 0.246 281 G HA3 0.361 4.321 3.960 -0.000 0.000 0.246 281 G C -0.020 174.837 174.900 -0.073 0.000 1.289 281 G CA -0.115 44.937 45.100 -0.080 0.000 0.869 281 G HN 0.542 nan 8.290 nan 0.000 0.543 282 L N 1.932 123.115 121.223 -0.067 0.000 2.295 282 L HA 0.342 4.682 4.340 -0.000 0.000 0.285 282 L C 0.437 177.325 176.870 0.030 0.000 1.035 282 L CA -0.698 54.126 54.840 -0.027 0.000 0.806 282 L CB 1.715 43.755 42.059 -0.031 0.000 1.214 282 L HN 0.393 nan 8.230 nan 0.000 0.426 283 T N 0.715 115.301 114.554 0.054 0.000 2.882 283 T HA 0.214 4.564 4.350 -0.000 0.000 0.287 283 T C 0.334 175.092 174.700 0.097 0.000 0.992 283 T CA -0.454 61.697 62.100 0.085 0.000 1.076 283 T CB 1.239 70.147 68.868 0.066 0.000 0.961 283 T HN 0.483 nan 8.240 nan 0.000 0.490 284 T N 2.312 116.933 114.554 0.112 0.000 2.919 284 T HA 0.418 4.768 4.350 -0.000 0.000 0.302 284 T C 1.436 176.182 174.700 0.076 0.000 1.031 284 T CA 0.686 62.847 62.100 0.101 0.000 1.127 284 T CB 0.441 69.369 68.868 0.100 0.000 0.952 284 T HN 1.005 nan 8.240 nan 0.000 0.540 285 G N 2.878 111.723 108.800 0.076 0.000 2.203 285 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.263 285 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.263 285 G C 0.197 175.131 174.900 0.057 0.000 1.012 285 G CA 0.374 45.511 45.100 0.061 0.000 0.749 285 G HN 0.913 nan 8.290 nan 0.000 0.512 286 T N -0.252 114.342 114.554 0.066 0.000 2.883 286 T HA 0.487 4.837 4.350 -0.000 0.000 0.301 286 T C -0.885 173.858 174.700 0.071 0.000 1.158 286 T CA -0.850 61.286 62.100 0.059 0.000 1.007 286 T CB 1.866 70.766 68.868 0.052 0.000 1.186 286 T HN 0.071 nan 8.240 nan 0.000 0.499 287 D N 2.218 122.655 120.400 0.062 0.000 2.425 287 D HA 0.171 4.811 4.640 -0.000 0.000 0.247 287 D C -0.308 176.038 176.300 0.077 0.000 1.147 287 D CA 0.317 54.358 54.000 0.068 0.000 0.879 287 D CB 0.335 41.164 40.800 0.050 0.000 1.179 287 D HN 0.380 nan 8.370 nan 0.000 0.456 288 N N 1.718 120.484 118.700 0.109 0.000 2.476 288 N HA 0.281 5.021 4.740 -0.000 0.000 0.257 288 N C -0.595 175.003 175.510 0.148 0.000 0.970 288 N CA -0.478 52.638 53.050 0.110 0.000 0.938 288 N CB 1.274 39.825 38.487 0.107 0.000 1.144 288 N HN 0.163 nan 8.380 nan 0.000 0.500 289 L N 1.753 123.033 121.223 0.096 0.000 2.326 289 L HA 0.457 4.797 4.340 -0.000 0.000 0.278 289 L C 0.107 177.041 176.870 0.107 0.000 1.092 289 L CA -0.172 54.728 54.840 0.099 0.000 0.810 289 L CB 0.911 43.007 42.059 0.062 0.000 1.153 289 L HN 0.467 nan 8.230 nan 0.000 0.439 290 M N 5.602 125.295 119.600 0.154 0.000 1.987 290 M HA 0.396 4.876 4.480 -0.000 0.000 0.298 290 M C -2.615 173.757 176.300 0.121 0.000 0.892 290 M CA -1.609 53.758 55.300 0.112 0.000 0.885 290 M CB 1.567 34.306 32.600 0.232 0.000 1.469 290 M HN 0.198 nan 8.290 nan 0.000 0.389 291 P HA 0.318 nan 4.420 nan 0.000 0.276 291 P C -1.350 175.957 177.300 0.012 0.000 1.244 291 P CA -0.031 63.134 63.100 0.109 0.000 0.801 291 P CB 0.499 32.227 31.700 0.048 0.000 1.006 292 F N 1.315 121.279 119.950 0.024 0.000 2.427 292 F HA 0.369 4.896 4.527 -0.000 0.000 0.348 292 F C 0.786 176.598 175.800 0.021 0.000 1.125 292 F CA -0.137 57.878 58.000 0.024 0.000 0.989 292 F CB 0.951 39.973 39.000 0.036 0.000 1.165 292 F HN 0.128 nan 8.300 nan 0.000 0.442 293 N N 5.296 124.056 118.700 0.100 0.000 2.642 293 N HA 0.245 4.985 4.740 -0.000 0.000 0.308 293 N C -1.095 174.452 175.510 0.061 0.000 1.914 293 N CA -0.049 53.046 53.050 0.075 0.000 0.893 293 N CB 1.104 39.610 38.487 0.032 0.000 1.322 293 N HN 0.437 nan 8.380 nan 0.000 0.490 294 L N 0.947 122.227 121.223 0.095 0.000 2.289 294 L HA 0.529 4.869 4.340 -0.000 0.000 0.285 294 L C -0.031 176.886 176.870 0.078 0.000 1.049 294 L CA -0.755 54.129 54.840 0.073 0.000 0.804 294 L CB 1.693 43.808 42.059 0.092 0.000 1.195 294 L HN -0.208 nan 8.230 nan 0.000 0.428 295 V N 4.880 124.831 119.914 0.063 0.000 2.444 295 V HA 0.391 4.510 4.120 -0.000 0.000 0.294 295 V C -0.247 175.884 176.094 0.063 0.000 1.022 295 V CA -0.378 61.969 62.300 0.080 0.000 0.850 295 V CB 2.100 33.968 31.823 0.075 0.000 0.992 295 V HN 0.459 nan 8.190 nan 0.000 0.426 296 I N 8.537 129.151 120.570 0.073 0.000 2.328 296 I HA 0.422 4.592 4.170 -0.000 0.000 0.287 296 I C -2.123 174.033 176.117 0.065 0.000 1.012 296 I CA -1.887 59.446 61.300 0.055 0.000 1.195 296 I CB 1.927 39.954 38.000 0.045 0.000 1.350 296 I HN 0.437 nan 8.210 nan 0.000 0.464 297 P HA 0.138 nan 4.420 nan 0.000 0.274 297 P C 0.651 177.976 177.300 0.041 0.000 1.231 297 P CA -0.224 62.903 63.100 0.044 0.000 0.790 297 P CB 0.799 32.515 31.700 0.027 0.000 0.951 298 T N 1.058 115.638 114.554 0.044 0.000 2.653 298 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 298 T C 1.614 176.329 174.700 0.025 0.000 1.035 298 T CA 2.108 64.231 62.100 0.038 0.000 1.154 298 T CB -0.922 67.972 68.868 0.042 0.000 0.862 298 T HN 0.647 nan 8.240 nan 0.000 0.441 299 N N 1.387 120.101 118.700 0.022 0.000 2.443 299 N HA -0.161 4.579 4.740 -0.000 0.000 0.184 299 N C 1.381 176.901 175.510 0.016 0.000 1.037 299 N CA 1.035 54.097 53.050 0.019 0.000 0.896 299 N CB -0.218 38.280 38.487 0.018 0.000 0.959 299 N HN 0.514 nan 8.380 nan 0.000 0.442 300 E N 0.166 120.375 120.200 0.015 0.000 2.371 300 E HA 0.158 4.508 4.350 -0.000 0.000 0.194 300 E C 0.174 176.775 176.600 0.001 0.000 1.012 300 E CA 0.071 56.477 56.400 0.010 0.000 0.860 300 E CB 0.221 29.928 29.700 0.012 0.000 0.811 300 E HN 0.441 nan 8.360 nan 0.000 0.502 301 I N 2.398 122.967 120.570 -0.002 0.000 2.260 301 I HA -0.023 4.147 4.170 -0.000 0.000 0.297 301 I C 1.414 177.503 176.117 -0.047 0.000 1.143 301 I CA -0.061 61.226 61.300 -0.023 0.000 1.271 301 I CB 0.695 38.686 38.000 -0.015 0.000 1.461 301 I HN 0.036 nan 8.210 nan 0.000 0.530 302 T N 1.609 116.122 114.554 -0.069 0.000 3.055 302 T HA -0.014 4.336 4.350 -0.000 0.000 0.265 302 T C 0.533 175.075 174.700 -0.263 0.000 1.111 302 T CA 0.331 62.381 62.100 -0.082 0.000 1.118 302 T CB -0.078 68.768 68.868 -0.037 0.000 0.909 302 T HN 0.693 nan 8.240 nan 0.000 0.501 303 Q N -0.564 119.016 119.800 -0.366 0.000 2.522 303 Q HA 0.551 4.891 4.340 -0.000 0.000 0.285 303 Q C -3.478 172.392 176.000 -0.215 0.000 0.982 303 Q CA -2.589 52.867 55.803 -0.578 0.000 0.805 303 Q CB 0.819 28.728 28.738 -1.382 0.000 1.457 303 Q HN -0.122 nan 8.270 nan 0.000 0.394 304 P HA -0.026 nan 4.420 nan 0.000 0.261 304 P C -0.586 176.742 177.300 0.047 0.000 1.173 304 P CA 0.235 63.358 63.100 0.039 0.000 0.760 304 P CB 0.242 32.058 31.700 0.192 0.000 0.783 305 I N 3.190 123.779 120.570 0.032 0.000 2.441 305 I HA 0.069 4.239 4.170 -0.000 0.000 0.287 305 I C 1.533 177.687 176.117 0.061 0.000 1.049 305 I CA 0.696 62.018 61.300 0.036 0.000 1.381 305 I CB 0.390 38.403 38.000 0.021 0.000 1.409 305 I HN 0.352 nan 8.210 nan 0.000 0.523 306 T N 3.300 117.889 114.554 0.058 0.000 2.954 306 T HA 0.127 4.477 4.350 -0.000 0.000 0.252 306 T C 0.447 175.153 174.700 0.011 0.000 0.983 306 T CA 0.293 62.434 62.100 0.068 0.000 0.941 306 T CB 0.367 69.310 68.868 0.126 0.000 1.141 306 T HN 0.806 nan 8.240 nan 0.000 0.500 307 S N 0.108 115.803 115.700 -0.008 0.000 2.588 307 S HA 0.723 5.193 4.470 -0.000 0.000 0.269 307 S C -1.493 173.097 174.600 -0.015 0.000 1.157 307 S CA -0.941 57.241 58.200 -0.029 0.000 0.824 307 S CB 1.853 65.038 63.200 -0.025 0.000 1.126 307 S HN 0.275 nan 8.310 nan 0.000 0.464 308 I N 1.210 121.776 120.570 -0.007 0.000 2.545 308 I HA 0.712 4.882 4.170 -0.000 0.000 0.292 308 I C -1.351 174.752 176.117 -0.024 0.000 1.040 308 I CA -0.701 60.611 61.300 0.019 0.000 1.068 308 I CB 1.755 39.788 38.000 0.055 0.000 1.251 308 I HN 1.019 nan 8.210 nan 0.000 0.424 309 K N 6.343 126.691 120.400 -0.086 0.000 2.477 309 K HA 0.661 4.981 4.320 -0.000 0.000 0.255 309 K C -2.029 174.392 176.600 -0.299 0.000 0.952 309 K CA -0.968 55.142 56.287 -0.294 0.000 0.826 309 K CB 2.441 34.842 32.500 -0.165 0.000 1.331 309 K HN 0.465 nan 8.250 nan 0.000 0.437 310 L N 1.108 121.973 121.223 -0.596 0.000 2.349 310 L HA 0.435 4.775 4.340 -0.000 0.000 0.278 310 L C -1.177 175.628 176.870 -0.108 0.000 0.996 310 L CA -0.004 54.658 54.840 -0.296 0.000 0.825 310 L CB 1.762 43.607 42.059 -0.358 0.000 1.243 310 L HN 0.776 nan 8.230 nan 0.000 0.412 311 E N 5.138 125.378 120.200 0.065 0.000 2.214 311 E HA 0.574 4.924 4.350 -0.000 0.000 0.274 311 E C -1.135 175.509 176.600 0.074 0.000 0.977 311 E CA -0.620 55.840 56.400 0.099 0.000 0.827 311 E CB 2.337 32.162 29.700 0.208 0.000 1.130 311 E HN 0.540 nan 8.360 nan 0.000 0.394 312 I N 2.197 122.811 120.570 0.074 0.000 2.466 312 I HA 0.251 4.421 4.170 -0.000 0.000 0.289 312 I C -0.806 175.320 176.117 0.015 0.000 1.026 312 I CA -1.007 60.308 61.300 0.025 0.000 1.078 312 I CB 1.925 39.953 38.000 0.047 0.000 1.249 312 I HN 0.170 nan 8.210 nan 0.000 0.429 313 V N 4.195 124.091 119.914 -0.030 0.000 2.394 313 V HA 0.422 4.542 4.120 -0.000 0.000 0.282 313 V C 0.052 176.124 176.094 -0.037 0.000 1.031 313 V CA -0.429 61.865 62.300 -0.010 0.000 0.881 313 V CB 1.376 33.195 31.823 -0.007 0.000 0.982 313 V HN 0.729 nan 8.190 nan 0.000 0.451 314 T N 3.741 118.311 114.554 0.026 0.000 2.788 314 T HA 0.530 4.880 4.350 -0.000 0.000 0.296 314 T C 0.128 174.904 174.700 0.127 0.000 1.009 314 T CA -0.450 61.700 62.100 0.083 0.000 0.949 314 T CB 1.018 70.004 68.868 0.196 0.000 0.946 314 T HN 0.895 nan 8.240 nan 0.000 0.453 315 S N 2.486 118.243 115.700 0.094 0.000 2.726 315 S HA 0.669 5.138 4.470 -0.000 0.000 0.308 315 S C 0.463 175.154 174.600 0.151 0.000 1.115 315 S CA -0.935 57.346 58.200 0.134 0.000 0.965 315 S CB 2.802 66.052 63.200 0.083 0.000 1.145 315 S HN 0.568 nan 8.310 nan 0.000 0.532 316 K N -0.753 119.777 120.400 0.217 0.000 2.548 316 K HA 0.186 4.506 4.320 -0.000 0.000 0.209 316 K C 1.090 177.694 176.600 0.006 0.000 1.420 316 K CA 0.786 57.128 56.287 0.091 0.000 0.985 316 K CB 0.346 32.871 32.500 0.042 0.000 1.249 316 K HN 0.847 nan 8.250 nan 0.000 0.557 317 S N -1.220 114.533 115.700 0.089 0.000 1.480 317 S HA -0.211 4.259 4.470 -0.000 0.000 0.244 317 S C 1.140 175.719 174.600 -0.036 0.000 0.702 317 S CA 1.932 60.156 58.200 0.039 0.000 1.288 317 S CB -1.971 61.227 63.200 -0.002 0.000 1.411 317 S HN 0.498 nan 8.310 nan 0.000 0.505 318 G N 2.341 111.059 108.800 -0.136 0.000 3.189 318 G HA2 0.519 4.479 3.960 -0.000 0.000 0.225 318 G HA3 0.519 4.479 3.960 -0.000 0.000 0.225 318 G C 0.666 175.365 174.900 -0.336 0.000 1.159 318 G CA 0.720 45.720 45.100 -0.166 0.000 0.763 318 G HN 1.171 nan 8.290 nan 0.000 0.549 319 G N -0.389 107.955 108.800 -0.760 0.000 2.559 319 G HA2 0.431 4.391 3.960 -0.000 0.000 0.235 319 G HA3 0.431 4.391 3.960 -0.000 0.000 0.235 319 G C -0.122 174.285 174.900 -0.821 0.000 1.266 319 G CA -0.055 44.270 45.100 -1.292 0.000 0.847 319 G HN 0.393 nan 8.290 nan 0.000 0.583 320 Q N -0.349 119.247 119.800 -0.340 0.000 3.156 320 Q HA 0.587 4.927 4.340 -0.000 0.000 0.301 320 Q C 1.695 177.773 176.000 0.130 0.000 1.026 320 Q CA -0.469 55.325 55.803 -0.015 0.000 0.827 320 Q CB 1.332 30.052 28.738 -0.029 0.000 1.490 320 Q HN 0.649 nan 8.270 nan 0.000 0.492 321 A N 0.318 123.196 122.820 0.096 0.000 2.261 321 A HA -0.255 4.065 4.320 -0.000 0.000 0.271 321 A C 0.834 178.484 177.584 0.110 0.000 2.785 321 A CA 2.340 54.430 52.037 0.088 0.000 1.014 321 A CB -1.504 17.524 19.000 0.047 0.000 0.645 321 A HN 0.725 nan 8.150 nan 0.000 0.482 322 G N -2.891 105.957 108.800 0.079 0.000 3.171 322 G HA2 0.494 4.454 3.960 -0.000 0.000 0.305 322 G HA3 0.494 4.454 3.960 -0.000 0.000 0.305 322 G C -0.426 174.511 174.900 0.061 0.000 1.584 322 G CA 0.472 45.617 45.100 0.075 0.000 1.070 322 G HN 0.223 nan 8.290 nan 0.000 0.535 323 D N 0.518 120.972 120.400 0.091 0.000 2.259 323 D HA 0.074 4.714 4.640 -0.000 0.000 0.216 323 D C 0.702 177.027 176.300 0.042 0.000 0.961 323 D CA 0.990 55.021 54.000 0.052 0.000 0.878 323 D CB 0.241 41.056 40.800 0.025 0.000 1.009 323 D HN 0.397 nan 8.370 nan 0.000 0.490 324 Q N -0.398 119.436 119.800 0.056 0.000 2.375 324 Q HA -0.110 4.230 4.340 -0.000 0.000 0.245 324 Q C -1.098 174.932 176.000 0.049 0.000 1.129 324 Q CA 0.449 56.265 55.803 0.021 0.000 0.513 324 Q CB -1.001 27.732 28.738 -0.007 0.000 0.631 324 Q HN 0.303 nan 8.270 nan 0.000 0.320 325 M N 2.095 121.732 119.600 0.060 0.000 2.243 325 M HA 0.598 5.078 4.480 -0.000 0.000 0.324 325 M C -0.061 176.295 176.300 0.094 0.000 1.031 325 M CA -0.615 54.772 55.300 0.144 0.000 0.949 325 M CB 2.210 34.977 32.600 0.279 0.000 1.615 325 M HN 0.539 nan 8.290 nan 0.000 0.430 326 S N 2.648 118.426 115.700 0.130 0.000 2.541 326 S HA 0.876 5.346 4.470 -0.000 0.000 0.280 326 S C -1.522 173.224 174.600 0.243 0.000 1.112 326 S CA -0.791 57.444 58.200 0.059 0.000 0.925 326 S CB 1.794 64.979 63.200 -0.025 0.000 1.067 326 S HN 0.937 nan 8.310 nan 0.000 0.479 327 W N 0.199 121.694 121.300 0.325 0.000 3.118 327 W HA 0.724 5.384 4.660 -0.000 0.000 0.328 327 W C -1.217 175.444 176.519 0.237 0.000 1.239 327 W CA -0.877 56.627 57.345 0.264 0.000 1.176 327 W CB 1.255 30.886 29.460 0.285 0.000 1.433 327 W HN 0.710 nan 8.180 nan 0.000 0.562 328 S N 1.056 117.123 115.700 0.612 0.000 2.475 328 S HA 0.805 5.275 4.470 -0.000 0.000 0.298 328 S C -0.719 174.168 174.600 0.478 0.000 1.119 328 S CA -0.223 58.234 58.200 0.429 0.000 1.085 328 S CB 1.001 64.330 63.200 0.216 0.000 1.028 328 S HN 0.830 nan 8.310 nan 0.000 0.489 329 A N 4.454 127.502 122.820 0.380 0.000 2.414 329 A HA 0.878 5.198 4.320 -0.000 0.000 0.306 329 A C -0.586 176.989 177.584 -0.015 0.000 1.054 329 A CA -0.784 51.243 52.037 -0.017 0.000 0.724 329 A CB 1.440 20.408 19.000 -0.054 0.000 1.267 329 A HN 0.750 nan 8.150 nan 0.000 0.418 330 R N 0.720 121.122 120.500 -0.164 0.000 2.626 330 R HA 0.671 5.011 4.340 -0.000 0.000 0.274 330 R C -0.624 175.603 176.300 -0.120 0.000 1.031 330 R CA 0.329 56.381 56.100 -0.079 0.000 0.898 330 R CB 2.198 32.475 30.300 -0.038 0.000 1.222 330 R HN 2.078 nan 8.270 nan 0.000 0.455 331 G N 0.939 109.688 108.800 -0.086 0.000 2.321 331 G HA2 0.101 4.061 3.960 -0.000 0.000 0.339 331 G HA3 0.101 4.061 3.960 -0.000 0.000 0.339 331 G C -1.713 173.117 174.900 -0.116 0.000 1.518 331 G CA -0.631 44.415 45.100 -0.090 0.000 0.994 331 G HN 0.569 nan 8.290 nan 0.000 0.668 332 S N -0.485 115.142 115.700 -0.121 0.000 2.566 332 S HA 0.884 5.354 4.470 -0.000 0.000 0.298 332 S C -0.283 174.200 174.600 -0.195 0.000 1.083 332 S CA -0.968 57.132 58.200 -0.167 0.000 0.978 332 S CB 2.101 65.222 63.200 -0.132 0.000 1.073 332 S HN 0.773 nan 8.310 nan 0.000 0.491 333 L N 0.893 121.962 121.223 -0.257 0.000 2.319 333 L HA 0.884 5.224 4.340 -0.000 0.000 0.267 333 L C -0.269 176.510 176.870 -0.151 0.000 1.011 333 L CA -1.137 53.544 54.840 -0.265 0.000 0.818 333 L CB 1.792 43.608 42.059 -0.404 0.000 1.316 333 L HN 0.848 nan 8.230 nan 0.000 0.432 334 A N 1.675 124.442 122.820 -0.087 0.000 2.330 334 A HA 0.714 5.034 4.320 -0.000 0.000 0.313 334 A C -0.872 176.717 177.584 0.009 0.000 1.124 334 A CA -0.471 51.549 52.037 -0.028 0.000 0.774 334 A CB 1.465 20.455 19.000 -0.017 0.000 1.198 334 A HN 0.370 nan 8.150 nan 0.000 0.465 335 V N 2.874 122.823 119.914 0.059 0.000 2.328 335 V HA 0.394 4.514 4.120 -0.000 0.000 0.278 335 V C 0.119 176.263 176.094 0.083 0.000 1.021 335 V CA -0.210 62.145 62.300 0.092 0.000 0.838 335 V CB 1.147 33.057 31.823 0.146 0.000 0.999 335 V HN 0.868 nan 8.190 nan 0.000 0.447 336 T N 7.021 121.564 114.554 -0.018 0.000 2.743 336 T HA 0.477 4.827 4.350 -0.000 0.000 0.292 336 T C -0.007 174.547 174.700 -0.243 0.000 0.972 336 T CA -0.149 61.880 62.100 -0.117 0.000 0.967 336 T CB 0.623 69.403 68.868 -0.146 0.000 0.926 336 T HN 0.615 nan 8.240 nan 0.000 0.459 337 I N 1.857 122.341 120.570 -0.144 0.000 2.312 337 I HA 0.403 4.573 4.170 -0.000 0.000 0.290 337 I C -0.236 175.798 176.117 -0.138 0.000 1.008 337 I CA -0.788 60.423 61.300 -0.148 0.000 1.226 337 I CB 0.654 38.671 38.000 0.029 0.000 1.371 337 I HN 0.543 nan 8.210 nan 0.000 0.468 338 H N 5.359 124.455 119.070 0.043 0.000 2.886 338 H HA 0.136 4.692 4.556 -0.000 0.000 0.329 338 H C 1.472 176.812 175.328 0.020 0.000 1.044 338 H CA 1.032 57.097 56.048 0.027 0.000 1.456 338 H CB 0.885 30.659 29.762 0.021 0.000 1.464 338 H HN 1.027 nan 8.280 nan 0.000 0.573 339 G N 2.653 111.534 108.800 0.135 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 1.550 176.502 174.900 0.087 0.000 0.989 339 G CA 0.835 45.983 45.100 0.081 0.000 0.692 339 G HN 0.867 nan 8.290 nan 0.000 0.526 340 G N 0.163 109.003 108.800 0.067 0.000 2.450 340 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 340 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 340 G C 1.332 176.265 174.900 0.054 0.000 1.130 340 G CA 1.309 46.443 45.100 0.057 0.000 0.760 340 G HN 0.518 nan 8.290 nan 0.000 0.557 341 N N -0.836 117.889 118.700 0.041 0.000 2.398 341 N HA 0.058 4.798 4.740 -0.000 0.000 0.188 341 N C -0.263 175.275 175.510 0.046 0.000 1.122 341 N CA -0.458 52.603 53.050 0.018 0.000 0.866 341 N CB -0.123 38.352 38.487 -0.020 0.000 0.970 341 N HN 0.431 nan 8.380 nan 0.000 0.462 342 Y N 2.669 122.952 120.300 -0.028 0.000 2.605 342 Y HA 0.142 4.692 4.550 -0.000 0.000 0.336 342 Y C -2.106 173.771 175.900 -0.039 0.000 1.111 342 Y CA -2.024 56.055 58.100 -0.036 0.000 1.422 342 Y CB 0.507 38.938 38.460 -0.049 0.000 1.193 342 Y HN 0.003 nan 8.280 nan 0.000 0.526 343 P HA 0.084 nan 4.420 nan 0.000 0.260 343 P C 0.514 177.739 177.300 -0.126 0.000 1.185 343 P CA 1.932 64.885 63.100 -0.244 0.000 0.763 343 P CB 0.484 31.988 31.700 -0.327 0.000 0.776 344 G N 3.284 112.101 108.800 0.029 0.000 2.284 344 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.216 344 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.216 344 G C 1.206 176.227 174.900 0.201 0.000 1.009 344 G CA 0.323 45.502 45.100 0.132 0.000 0.625 344 G HN 0.609 nan 8.290 nan 0.000 0.501 345 A N -0.211 122.711 122.820 0.170 0.000 1.969 345 A HA 0.538 4.858 4.320 -0.000 0.000 0.218 345 A C 2.182 179.892 177.584 0.210 0.000 1.169 345 A CA 2.043 54.145 52.037 0.108 0.000 0.635 345 A CB -0.196 18.845 19.000 0.068 0.000 0.810 345 A HN 0.982 nan 8.150 nan 0.000 0.445 346 L N -3.806 117.520 121.223 0.173 0.000 3.316 346 L HA 0.202 4.542 4.340 -0.000 0.000 0.300 346 L C 2.048 179.046 176.870 0.213 0.000 1.128 346 L CA 0.189 55.126 54.840 0.163 0.000 1.111 346 L CB 0.058 42.194 42.059 0.128 0.000 1.687 346 L HN 0.289 nan 8.230 nan 0.000 0.594 347 R N 1.756 122.351 120.500 0.158 0.000 2.072 347 R HA 0.071 4.411 4.340 -0.000 0.000 0.221 347 R C -1.767 174.597 176.300 0.107 0.000 1.166 347 R CA 0.740 56.897 56.100 0.095 0.000 0.917 347 R CB -0.916 29.396 30.300 0.020 0.000 0.815 347 R HN 0.022 nan 8.270 nan 0.000 0.444 348 P HA 0.124 nan 4.420 nan 0.000 0.275 348 P C -1.308 176.103 177.300 0.185 0.000 1.227 348 P CA 0.140 63.287 63.100 0.078 0.000 0.781 348 P CB 1.514 33.239 31.700 0.040 0.000 0.906 349 V N 3.343 123.370 119.914 0.189 0.000 2.656 349 V HA 0.397 4.517 4.120 -0.000 0.000 0.307 349 V C 0.093 176.260 176.094 0.122 0.000 1.051 349 V CA -0.290 62.115 62.300 0.175 0.000 0.893 349 V CB 2.240 34.187 31.823 0.207 0.000 0.999 349 V HN 0.466 nan 8.190 nan 0.000 0.426 350 T N 5.986 120.584 114.554 0.074 0.000 2.770 350 T HA 0.629 4.979 4.350 -0.000 0.000 0.283 350 T C -0.621 174.109 174.700 0.050 0.000 0.988 350 T CA -0.280 61.873 62.100 0.088 0.000 0.957 350 T CB 0.920 69.862 68.868 0.123 0.000 0.930 350 T HN 0.234 nan 8.240 nan 0.000 0.443 351 L N 4.097 125.322 121.223 0.004 0.000 2.282 351 L HA 0.553 4.893 4.340 -0.000 0.000 0.288 351 L C -0.354 176.519 176.870 0.006 0.000 1.033 351 L CA -0.421 54.383 54.840 -0.059 0.000 0.807 351 L CB 1.680 43.671 42.059 -0.113 0.000 1.209 351 L HN 0.385 nan 8.230 nan 0.000 0.423 352 V N 3.441 123.367 119.914 0.021 0.000 2.326 352 V HA 0.749 4.869 4.120 -0.000 0.000 0.281 352 V C 0.096 176.262 176.094 0.121 0.000 1.015 352 V CA -0.668 61.691 62.300 0.098 0.000 0.823 352 V CB 1.261 33.203 31.823 0.198 0.000 1.009 352 V HN 0.828 nan 8.190 nan 0.000 0.436 353 A N 5.580 128.468 122.820 0.114 0.000 2.317 353 A HA 0.919 5.239 4.320 -0.000 0.000 0.327 353 A C -0.893 176.919 177.584 0.381 0.000 1.178 353 A CA -0.479 51.661 52.037 0.172 0.000 0.817 353 A CB 0.856 19.931 19.000 0.125 0.000 1.189 353 A HN 0.978 nan 8.150 nan 0.000 0.489 354 Y N -0.034 120.455 120.300 0.315 0.000 2.562 354 Y HA 0.813 5.363 4.550 -0.000 0.000 0.343 354 Y C -0.278 175.682 175.900 0.100 0.000 1.025 354 Y CA -0.882 57.372 58.100 0.255 0.000 1.082 354 Y CB 1.350 39.897 38.460 0.145 0.000 1.264 354 Y HN 0.876 nan 8.280 nan 0.000 0.478 355 E N -0.002 120.226 120.200 0.046 0.000 2.447 355 E HA 0.540 4.890 4.350 -0.000 0.000 0.279 355 E C -0.724 175.841 176.600 -0.058 0.000 1.053 355 E CA -1.352 54.966 56.400 -0.137 0.000 0.840 355 E CB 1.108 30.512 29.700 -0.493 0.000 1.409 355 E HN 0.483 nan 8.360 nan 0.000 0.461 356 R N -1.262 119.204 120.500 -0.057 0.000 3.875 356 R HA -0.100 4.240 4.340 -0.000 0.000 0.321 356 R C -0.599 175.719 176.300 0.030 0.000 1.196 356 R CA 0.782 56.868 56.100 -0.023 0.000 0.868 356 R CB -3.090 27.183 30.300 -0.045 0.000 1.333 356 R HN 0.440 nan 8.270 nan 0.000 0.522 357 V N 1.071 121.032 119.914 0.077 0.000 2.461 357 V HA 0.503 4.623 4.120 -0.000 0.000 0.275 357 V C 1.348 177.475 176.094 0.055 0.000 1.047 357 V CA -0.407 61.939 62.300 0.076 0.000 0.955 357 V CB 1.609 33.498 31.823 0.109 0.000 0.988 357 V HN 0.393 nan 8.190 nan 0.000 0.471 358 A N 4.122 126.962 122.820 0.034 0.000 2.548 358 A HA 0.267 4.587 4.320 -0.000 0.000 0.247 358 A C 0.823 178.424 177.584 0.029 0.000 1.067 358 A CA 0.120 52.173 52.037 0.027 0.000 0.757 358 A CB -0.402 18.611 19.000 0.022 0.000 0.996 358 A HN 0.849 nan 8.150 nan 0.000 0.504 359 T N 2.206 116.777 114.554 0.029 0.000 2.908 359 T HA 0.398 4.748 4.350 -0.000 0.000 0.301 359 T C 1.536 176.250 174.700 0.023 0.000 1.019 359 T CA 1.594 63.712 62.100 0.031 0.000 1.152 359 T CB 0.396 69.279 68.868 0.025 0.000 0.966 359 T HN 2.031 nan 8.240 nan 0.000 0.540 360 G N 2.714 111.528 108.800 0.025 0.000 2.176 360 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.253 360 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.253 360 G C 0.352 175.258 174.900 0.010 0.000 0.979 360 G CA 0.159 45.270 45.100 0.017 0.000 0.641 360 G HN 1.146 nan 8.290 nan 0.000 0.530 361 S N -1.123 114.580 115.700 0.006 0.000 2.669 361 S HA 0.785 5.255 4.470 -0.000 0.000 0.270 361 S C -0.084 174.500 174.600 -0.026 0.000 1.225 361 S CA -0.313 57.883 58.200 -0.008 0.000 0.991 361 S CB 2.694 65.889 63.200 -0.009 0.000 0.987 361 S HN 1.007 nan 8.310 nan 0.000 0.552 362 V N 1.729 121.619 119.914 -0.041 0.000 2.444 362 V HA 0.376 4.495 4.120 -0.000 0.000 0.294 362 V C -0.472 175.561 176.094 -0.102 0.000 1.022 362 V CA -0.814 61.450 62.300 -0.060 0.000 0.850 362 V CB 1.637 33.439 31.823 -0.034 0.000 0.992 362 V HN 0.815 nan 8.190 nan 0.000 0.426 363 V N 4.558 124.368 119.914 -0.174 0.000 2.408 363 V HA 0.268 4.388 4.120 -0.000 0.000 0.267 363 V C 0.582 176.587 176.094 -0.149 0.000 1.047 363 V CA 0.087 62.249 62.300 -0.231 0.000 0.937 363 V CB 1.451 32.998 31.823 -0.460 0.000 0.999 363 V HN 0.960 nan 8.190 nan 0.000 0.472 364 T N 5.436 119.936 114.554 -0.089 0.000 2.767 364 T HA 0.512 4.862 4.350 -0.000 0.000 0.288 364 T C -0.213 174.488 174.700 0.001 0.000 0.963 364 T CA -0.275 61.805 62.100 -0.033 0.000 1.019 364 T CB 1.379 70.234 68.868 -0.023 0.000 0.923 364 T HN 0.339 nan 8.240 nan 0.000 0.468 365 V N 2.695 122.642 119.914 0.055 0.000 2.459 365 V HA 0.831 4.951 4.120 -0.000 0.000 0.295 365 V C -0.071 176.086 176.094 0.105 0.000 1.029 365 V CA -0.813 61.558 62.300 0.118 0.000 0.874 365 V CB 1.381 33.335 31.823 0.220 0.000 0.985 365 V HN 1.069 nan 8.190 nan 0.000 0.438 366 A N 3.443 126.301 122.820 0.064 0.000 2.427 366 A HA 0.969 5.289 4.320 -0.000 0.000 0.298 366 A C -0.163 177.427 177.584 0.009 0.000 1.036 366 A CA -0.009 52.049 52.037 0.035 0.000 0.701 366 A CB 1.886 20.892 19.000 0.010 0.000 1.250 366 A HN 1.199 nan 8.150 nan 0.000 0.412 367 G N -0.333 108.478 108.800 0.018 0.000 2.695 367 G HA2 0.639 4.599 3.960 -0.000 0.000 0.290 367 G HA3 0.639 4.599 3.960 -0.000 0.000 0.290 367 G C -1.778 173.124 174.900 0.003 0.000 1.410 367 G CA -0.568 44.521 45.100 -0.018 0.000 0.844 367 G HN 1.133 nan 8.290 nan 0.000 0.478 368 V N 0.272 120.174 119.914 -0.020 0.000 2.638 368 V HA 0.681 4.801 4.120 -0.000 0.000 0.306 368 V C -0.275 175.796 176.094 -0.037 0.000 1.052 368 V CA -0.711 61.587 62.300 -0.003 0.000 0.885 368 V CB 1.894 33.714 31.823 -0.005 0.000 0.999 368 V HN 0.757 nan 8.190 nan 0.000 0.424 369 S N 4.124 119.811 115.700 -0.022 0.000 2.482 369 S HA 0.582 5.052 4.470 -0.000 0.000 0.303 369 S C -0.643 173.752 174.600 -0.342 0.000 1.091 369 S CA -0.813 57.272 58.200 -0.191 0.000 1.057 369 S CB 1.194 64.352 63.200 -0.069 0.000 1.031 369 S HN 0.751 nan 8.310 nan 0.000 0.485 370 N N 1.731 120.102 118.700 -0.548 0.000 2.321 370 N HA 0.606 5.346 4.740 -0.000 0.000 0.299 370 N C -1.498 173.643 175.510 -0.614 0.000 1.048 370 N CA -0.225 52.596 53.050 -0.381 0.000 0.836 370 N CB 1.392 39.792 38.487 -0.145 0.000 1.269 370 N HN 0.405 nan 8.380 nan 0.000 0.486 371 F N 0.014 119.982 119.950 0.029 0.000 2.576 371 F HA 0.336 4.863 4.527 -0.000 0.000 0.313 371 F C 0.496 176.302 175.800 0.010 0.000 1.078 371 F CA -0.879 57.122 58.000 0.000 0.000 0.921 371 F CB 1.915 40.887 39.000 -0.046 0.000 1.232 371 F HN 0.145 nan 8.300 nan 0.000 0.459 372 E N 2.980 123.286 120.200 0.176 0.000 2.200 372 E HA 0.605 4.955 4.350 -0.000 0.000 0.283 372 E C -1.159 175.578 176.600 0.227 0.000 1.015 372 E CA -0.434 56.053 56.400 0.144 0.000 0.819 372 E CB 1.589 31.188 29.700 -0.167 0.000 1.081 372 E HN 0.415 nan 8.360 nan 0.000 0.397 373 L N 3.742 125.124 121.223 0.264 0.000 2.388 373 L HA 0.554 4.894 4.340 -0.000 0.000 0.264 373 L C -0.663 176.382 176.870 0.291 0.000 0.998 373 L CA -0.818 54.115 54.840 0.155 0.000 0.817 373 L CB 1.873 43.702 42.059 -0.384 0.000 1.338 373 L HN 0.431 nan 8.230 nan 0.000 0.414 374 I N 3.518 124.290 120.570 0.337 0.000 2.362 374 I HA 0.353 4.523 4.170 -0.000 0.000 0.289 374 I C -2.212 174.137 176.117 0.388 0.000 0.994 374 I CA -2.003 59.470 61.300 0.289 0.000 1.158 374 I CB 1.966 40.078 38.000 0.188 0.000 1.315 374 I HN 0.246 nan 8.210 nan 0.000 0.451 375 P HA 0.061 nan 4.420 nan 0.000 0.272 375 P C -0.978 176.357 177.300 0.057 0.000 1.223 375 P CA -0.352 62.840 63.100 0.153 0.000 0.784 375 P CB 0.283 32.014 31.700 0.051 0.000 0.923 376 N N 2.495 121.161 118.700 -0.057 0.000 2.326 376 N HA 0.069 4.809 4.740 -0.000 0.000 0.239 376 N C -1.965 173.524 175.510 -0.034 0.000 1.301 376 N CA -1.563 51.463 53.050 -0.039 0.000 0.909 376 N CB -1.343 37.097 38.487 -0.078 0.000 1.156 376 N HN 0.157 nan 8.380 nan 0.000 0.462 377 P HA -0.160 nan 4.420 nan 0.000 0.216 377 P C 0.973 178.257 177.300 -0.028 0.000 1.150 377 P CA 1.483 64.574 63.100 -0.015 0.000 0.843 377 P CB 0.198 31.892 31.700 -0.010 0.000 0.787 378 E N -0.944 119.230 120.200 -0.042 0.000 2.072 378 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 378 E C 1.760 178.328 176.600 -0.053 0.000 0.982 378 E CA 0.744 57.118 56.400 -0.044 0.000 0.803 378 E CB -1.031 28.641 29.700 -0.047 0.000 0.755 378 E HN 0.020 nan 8.360 nan 0.000 0.453 379 L N -0.057 121.117 121.223 -0.081 0.000 2.156 379 L HA 0.124 4.464 4.340 -0.000 0.000 0.208 379 L C 2.034 178.872 176.870 -0.053 0.000 1.095 379 L CA 1.466 56.250 54.840 -0.094 0.000 0.770 379 L CB -0.664 41.279 42.059 -0.194 0.000 0.914 379 L HN 0.178 nan 8.230 nan 0.000 0.439 380 A N -0.845 121.953 122.820 -0.036 0.000 2.131 380 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 380 A C 2.178 179.755 177.584 -0.012 0.000 1.158 380 A CA 1.559 53.589 52.037 -0.011 0.000 0.665 380 A CB -0.525 18.473 19.000 -0.003 0.000 0.795 380 A HN 0.477 nan 8.150 nan 0.000 0.460 381 K N -0.794 119.596 120.400 -0.017 0.000 2.366 381 K HA 0.013 4.333 4.320 -0.000 0.000 0.198 381 K C 0.377 176.970 176.600 -0.011 0.000 1.044 381 K CA 0.861 57.140 56.287 -0.014 0.000 0.973 381 K CB 0.052 32.543 32.500 -0.015 0.000 0.767 381 K HN 0.393 nan 8.250 nan 0.000 0.475 382 N N -0.166 118.527 118.700 -0.011 0.000 2.118 382 N HA 0.046 4.786 4.740 -0.000 0.000 0.226 382 N C -1.017 174.495 175.510 0.004 0.000 1.305 382 N CA -0.050 52.997 53.050 -0.005 0.000 0.890 382 N CB 1.073 39.556 38.487 -0.008 0.000 1.118 382 N HN -0.017 nan 8.380 nan 0.000 0.511 383 L N 2.513 123.741 121.223 0.007 0.000 2.318 383 L HA 0.440 4.780 4.340 -0.000 0.000 0.277 383 L C -0.322 176.560 176.870 0.020 0.000 1.008 383 L CA -0.566 54.291 54.840 0.027 0.000 0.846 383 L CB 1.224 43.312 42.059 0.049 0.000 1.220 383 L HN -0.275 nan 8.230 nan 0.000 0.423 384 V N 4.113 124.035 119.914 0.013 0.000 2.585 384 V HA 0.246 4.366 4.120 -0.000 0.000 0.296 384 V C 0.845 176.929 176.094 -0.017 0.000 1.035 384 V CA -0.016 62.280 62.300 -0.006 0.000 1.084 384 V CB 1.251 33.069 31.823 -0.008 0.000 0.953 384 V HN 0.905 nan 8.190 nan 0.000 0.483 385 T N 2.505 117.029 114.554 -0.050 0.000 2.912 385 T HA 0.809 5.159 4.350 -0.000 0.000 0.288 385 T C -0.740 173.859 174.700 -0.167 0.000 1.030 385 T CA -0.895 61.147 62.100 -0.097 0.000 1.020 385 T CB 2.266 71.079 68.868 -0.092 0.000 1.056 385 T HN 0.680 nan 8.240 nan 0.000 0.480 386 E N 0.188 120.240 120.200 -0.247 0.000 2.408 386 E HA 0.361 4.711 4.350 -0.000 0.000 0.275 386 E C -1.273 175.120 176.600 -0.345 0.000 0.935 386 E CA -0.981 55.267 56.400 -0.253 0.000 0.775 386 E CB 1.822 31.442 29.700 -0.134 0.000 1.277 386 E HN 0.651 nan 8.360 nan 0.000 0.455 387 Y N 0.496 120.753 120.300 -0.071 0.000 2.480 387 Y HA 0.234 4.784 4.550 -0.000 0.000 0.338 387 Y C 1.421 177.316 175.900 -0.008 0.000 1.220 387 Y CA 0.193 58.291 58.100 -0.003 0.000 1.430 387 Y CB 0.529 39.004 38.460 0.025 0.000 1.311 387 Y HN 0.603 nan 8.280 nan 0.000 0.575 388 G N 2.784 111.766 108.800 0.303 0.000 2.559 388 G HA2 0.075 4.035 3.960 -0.000 0.000 0.235 388 G HA3 0.075 4.035 3.960 -0.000 0.000 0.235 388 G C -0.228 174.788 174.900 0.195 0.000 1.266 388 G CA -0.890 44.363 45.100 0.255 0.000 0.847 388 G HN 0.435 nan 8.290 nan 0.000 0.583 389 R N -0.127 120.464 120.500 0.151 0.000 2.538 389 R HA -0.007 4.333 4.340 -0.000 0.000 0.282 389 R C -0.343 176.066 176.300 0.182 0.000 1.009 389 R CA -0.433 55.751 56.100 0.141 0.000 1.063 389 R CB 0.030 30.386 30.300 0.093 0.000 0.945 389 R HN 0.381 nan 8.270 nan 0.000 0.414 390 F N 4.845 124.815 119.950 0.033 0.000 2.421 390 F HA 0.165 4.692 4.527 -0.000 0.000 0.358 390 F C -0.336 175.472 175.800 0.013 0.000 1.115 390 F CA -1.371 56.639 58.000 0.017 0.000 1.160 390 F CB 0.470 39.474 39.000 0.006 0.000 1.123 390 F HN 0.484 nan 8.300 nan 0.000 0.508 391 D N 8.076 128.164 120.400 -0.519 0.000 2.686 391 D HA 0.318 4.958 4.640 -0.000 0.000 0.249 391 D C -3.291 172.591 176.300 -0.698 0.000 1.260 391 D CA -2.023 51.562 54.000 -0.692 0.000 0.910 391 D CB 1.735 42.356 40.800 -0.297 0.000 1.323 391 D HN 0.214 nan 8.370 nan 0.000 0.561 392 P HA 0.282 nan 4.420 nan 0.000 0.274 392 P C 1.018 178.207 177.300 -0.184 0.000 1.231 392 P CA 0.463 63.322 63.100 -0.402 0.000 0.790 392 P CB 1.069 32.621 31.700 -0.248 0.000 0.951 393 G N 1.414 110.176 108.800 -0.063 0.000 2.205 393 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.261 393 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.261 393 G C 1.120 176.044 174.900 0.039 0.000 0.980 393 G CA 0.712 45.813 45.100 0.001 0.000 0.632 393 G HN 0.738 nan 8.290 nan 0.000 0.533 394 A N -0.492 122.320 122.820 -0.013 0.000 1.877 394 A HA 0.200 4.520 4.320 -0.000 0.000 0.216 394 A C 2.275 179.923 177.584 0.107 0.000 1.186 394 A CA 2.830 54.897 52.037 0.049 0.000 0.620 394 A CB -0.375 18.619 19.000 -0.010 0.000 0.822 394 A HN 1.136 nan 8.150 nan 0.000 0.443 395 M N 0.883 120.496 119.600 0.022 0.000 2.132 395 M HA -0.092 4.388 4.480 -0.000 0.000 0.263 395 M C 1.563 177.913 176.300 0.084 0.000 1.065 395 M CA 1.740 57.048 55.300 0.013 0.000 1.122 395 M CB -0.984 31.593 32.600 -0.039 0.000 1.365 395 M HN 0.516 nan 8.290 nan 0.000 0.411 396 N N -1.340 117.414 118.700 0.090 0.000 2.120 396 N HA -0.221 4.519 4.740 -0.000 0.000 0.188 396 N C 1.756 177.344 175.510 0.130 0.000 1.024 396 N CA 1.644 54.752 53.050 0.097 0.000 0.852 396 N CB -0.423 38.117 38.487 0.089 0.000 1.003 396 N HN 0.430 nan 8.380 nan 0.000 0.424 397 Y N 2.345 122.678 120.300 0.054 0.000 2.200 397 Y HA -0.164 4.386 4.550 -0.000 0.000 0.290 397 Y C 2.527 178.485 175.900 0.097 0.000 1.137 397 Y CA 1.420 59.562 58.100 0.071 0.000 1.163 397 Y CB -0.479 38.024 38.460 0.071 0.000 0.988 397 Y HN -0.030 nan 8.280 nan 0.000 0.518 398 T N 0.194 114.879 114.554 0.218 0.000 2.708 398 T HA -0.203 4.147 4.350 -0.000 0.000 0.266 398 T C 1.800 176.563 174.700 0.105 0.000 1.037 398 T CA 1.925 64.143 62.100 0.197 0.000 1.146 398 T CB -0.201 68.860 68.868 0.322 0.000 0.865 398 T HN 0.269 nan 8.240 nan 0.000 0.435 399 K N 0.384 120.841 120.400 0.094 0.000 2.097 399 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 399 K C 2.199 178.800 176.600 0.002 0.000 1.049 399 K CA 0.837 57.161 56.287 0.062 0.000 0.933 399 K CB -0.344 32.193 32.500 0.062 0.000 0.717 399 K HN 0.137 nan 8.250 nan 0.000 0.442 400 L N 1.322 122.518 121.223 -0.045 0.000 1.994 400 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 400 L C 1.901 178.695 176.870 -0.128 0.000 1.071 400 L CA 1.580 56.362 54.840 -0.096 0.000 0.745 400 L CB -0.378 41.590 42.059 -0.152 0.000 0.892 400 L HN 0.081 nan 8.230 nan 0.000 0.431 401 I N -0.277 120.172 120.570 -0.202 0.000 2.127 401 I HA -0.321 3.849 4.170 -0.000 0.000 0.241 401 I C 2.603 178.685 176.117 -0.058 0.000 1.075 401 I CA 1.667 62.873 61.300 -0.157 0.000 1.334 401 I CB -1.279 36.619 38.000 -0.170 0.000 1.040 401 I HN 0.323 nan 8.210 nan 0.000 0.405 402 L N 0.056 121.265 121.223 -0.024 0.000 2.093 402 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 402 L C 2.703 179.561 176.870 -0.020 0.000 1.085 402 L CA 1.431 56.267 54.840 -0.007 0.000 0.755 402 L CB -0.610 41.464 42.059 0.025 0.000 0.904 402 L HN 0.281 nan 8.230 nan 0.000 0.435 403 S N -0.232 115.455 115.700 -0.021 0.000 2.399 403 S HA -0.161 4.309 4.470 -0.000 0.000 0.231 403 S C 1.524 176.109 174.600 -0.026 0.000 1.022 403 S CA 1.175 59.362 58.200 -0.022 0.000 0.983 403 S CB -0.075 63.114 63.200 -0.019 0.000 0.803 403 S HN 0.400 nan 8.310 nan 0.000 0.480 404 E N 0.683 120.865 120.200 -0.030 0.000 2.499 404 E HA 0.156 4.506 4.350 -0.000 0.000 0.199 404 E C 1.538 178.124 176.600 -0.023 0.000 1.016 404 E CA -0.268 56.118 56.400 -0.023 0.000 0.933 404 E CB -0.019 29.670 29.700 -0.019 0.000 1.050 404 E HN 0.509 nan 8.360 nan 0.000 0.462 405 R N 1.458 121.938 120.500 -0.033 0.000 2.112 405 R HA -0.199 4.141 4.340 -0.000 0.000 0.242 405 R C 0.900 177.163 176.300 -0.062 0.000 1.137 405 R CA 1.867 57.940 56.100 -0.045 0.000 0.944 405 R CB 0.107 30.374 30.300 -0.055 0.000 0.857 405 R HN 0.083 nan 8.270 nan 0.000 0.435 406 D N -0.274 120.088 120.400 -0.062 0.000 2.149 406 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 406 D C 2.028 178.294 176.300 -0.056 0.000 0.972 406 D CA 1.412 55.367 54.000 -0.074 0.000 0.835 406 D CB -0.214 40.546 40.800 -0.066 0.000 0.966 406 D HN 0.448 nan 8.370 nan 0.000 0.476 407 R N 0.777 121.259 120.500 -0.031 0.000 2.148 407 R HA 0.017 4.357 4.340 -0.000 0.000 0.223 407 R C 2.015 178.319 176.300 0.006 0.000 1.088 407 R CA 0.788 56.880 56.100 -0.013 0.000 0.985 407 R CB -0.446 29.853 30.300 -0.001 0.000 0.880 407 R HN 0.144 nan 8.270 nan 0.000 0.451 408 L N 0.336 121.568 121.223 0.016 0.000 2.446 408 L HA 0.271 4.611 4.340 -0.000 0.000 0.219 408 L C 0.929 177.824 176.870 0.041 0.000 1.116 408 L CA 0.539 55.421 54.840 0.071 0.000 0.844 408 L CB -0.024 42.099 42.059 0.107 0.000 0.970 408 L HN 0.635 nan 8.230 nan 0.000 0.457 409 G N 1.507 110.271 108.800 -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 0.028 174.730 174.900 -0.329 0.000 1.067 409 G CA -0.209 44.786 45.100 -0.175 0.000 0.902 409 G HN 0.296 nan 8.290 nan 0.000 0.500 410 I N 0.804 121.223 120.570 -0.251 0.000 2.294 410 I HA 0.217 4.387 4.170 -0.000 0.000 0.295 410 I C 0.910 176.805 176.117 -0.370 0.000 1.098 410 I CA -0.037 61.109 61.300 -0.257 0.000 1.277 410 I CB 0.465 38.420 38.000 -0.076 0.000 1.434 410 I HN 0.081 nan 8.210 nan 0.000 0.498 411 K N 3.397 123.310 120.400 -0.811 0.000 2.087 411 K HA 0.340 4.660 4.320 -0.000 0.000 0.255 411 K C 1.139 177.501 176.600 -0.397 0.000 0.988 411 K CA -0.467 55.297 56.287 -0.872 0.000 0.915 411 K CB 1.251 32.779 32.500 -1.620 0.000 1.043 411 K HN 0.567 nan 8.250 nan 0.000 0.457 412 T N -3.106 111.287 114.554 -0.268 0.000 3.051 412 T HA 0.043 4.393 4.350 -0.000 0.000 0.255 412 T C 0.697 175.368 174.700 -0.050 0.000 1.085 412 T CA -0.102 61.950 62.100 -0.081 0.000 1.109 412 T CB -0.137 68.691 68.868 -0.067 0.000 0.921 412 T HN 0.371 nan 8.240 nan 0.000 0.488 413 V N -1.686 118.120 119.914 -0.180 0.000 2.577 413 V HA 0.809 4.929 4.120 -0.000 0.000 0.303 413 V C -1.795 174.204 176.094 -0.159 0.000 1.042 413 V CA -1.760 60.499 62.300 -0.069 0.000 0.872 413 V CB 0.884 32.677 31.823 -0.050 0.000 0.998 413 V HN 0.353 nan 8.190 nan 0.000 0.423 414 W N 3.609 124.855 121.300 -0.089 0.000 2.761 414 W HA 0.734 5.394 4.660 -0.000 0.000 0.340 414 W C -2.712 173.794 176.519 -0.022 0.000 1.072 414 W CA -2.509 54.807 57.345 -0.047 0.000 1.215 414 W CB 1.812 31.263 29.460 -0.015 0.000 1.420 414 W HN 0.344 nan 8.180 nan 0.000 0.519 415 P HA 0.076 nan 4.420 nan 0.000 0.271 415 P C 0.836 178.269 177.300 0.221 0.000 1.226 415 P CA 0.368 63.573 63.100 0.175 0.000 0.765 415 P CB 0.830 32.613 31.700 0.138 0.000 0.835 416 T N 2.826 117.460 114.554 0.132 0.000 2.699 416 T HA -0.240 4.110 4.350 -0.000 0.000 0.268 416 T C 1.774 176.562 174.700 0.147 0.000 1.036 416 T CA 1.794 63.965 62.100 0.118 0.000 1.147 416 T CB -0.362 68.527 68.868 0.035 0.000 0.862 416 T HN 0.431 nan 8.240 nan 0.000 0.446 417 R N 1.459 122.028 120.500 0.116 0.000 2.103 417 R HA -0.114 4.226 4.340 -0.000 0.000 0.242 417 R C 2.122 178.510 176.300 0.148 0.000 1.142 417 R CA 1.897 58.069 56.100 0.119 0.000 0.960 417 R CB -0.401 29.967 30.300 0.113 0.000 0.858 417 R HN 0.485 nan 8.270 nan 0.000 0.439 418 E N -1.229 119.096 120.200 0.208 0.000 2.152 418 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 418 E C 1.594 178.379 176.600 0.308 0.000 0.983 418 E CA 1.132 57.699 56.400 0.277 0.000 0.818 418 E CB -0.207 29.699 29.700 0.342 0.000 0.758 418 E HN 0.431 nan 8.360 nan 0.000 0.467 419 Y N 1.557 121.900 120.300 0.073 0.000 2.200 419 Y HA -0.184 4.365 4.550 -0.000 0.000 0.290 419 Y C 2.354 178.156 175.900 -0.163 0.000 1.137 419 Y CA 1.649 59.501 58.100 -0.414 0.000 1.163 419 Y CB -0.350 37.713 38.460 -0.661 0.000 0.988 419 Y HN -0.109 nan 8.280 nan 0.000 0.518 420 T N 0.414 114.928 114.554 -0.067 0.000 2.684 420 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 420 T C 1.333 175.986 174.700 -0.078 0.000 1.036 420 T CA 1.751 63.796 62.100 -0.092 0.000 1.148 420 T CB -0.397 68.485 68.868 0.023 0.000 0.863 420 T HN 0.355 nan 8.240 nan 0.000 0.436 421 D N 0.452 120.862 120.400 0.017 0.000 2.123 421 D HA -0.068 4.572 4.640 -0.000 0.000 0.196 421 D C 1.664 178.014 176.300 0.083 0.000 0.992 421 D CA 0.740 54.778 54.000 0.064 0.000 0.833 421 D CB -0.504 40.359 40.800 0.105 0.000 0.954 421 D HN 0.367 nan 8.370 nan 0.000 0.455 422 F N 1.781 121.676 119.950 -0.091 0.000 2.126 422 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 422 F C 2.283 178.039 175.800 -0.073 0.000 1.096 422 F CA 1.440 59.400 58.000 -0.068 0.000 1.255 422 F CB -0.074 38.806 39.000 -0.200 0.000 0.997 422 F HN -0.203 nan 8.300 nan 0.000 0.479 423 R N 0.368 120.653 120.500 -0.359 0.000 2.096 423 R HA -0.237 4.103 4.340 -0.000 0.000 0.240 423 R C 2.368 178.542 176.300 -0.210 0.000 1.139 423 R CA 2.151 58.046 56.100 -0.342 0.000 0.952 423 R CB -0.775 29.317 30.300 -0.346 0.000 0.854 423 R HN 0.634 nan 8.270 nan 0.000 0.436 424 E N -0.603 119.515 120.200 -0.137 0.000 2.216 424 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 424 E C 1.656 178.206 176.600 -0.083 0.000 0.988 424 E CA 0.802 57.141 56.400 -0.102 0.000 0.834 424 E CB -0.302 29.366 29.700 -0.054 0.000 0.772 424 E HN 0.413 nan 8.360 nan 0.000 0.479 425 Y N 1.068 121.276 120.300 -0.153 0.000 2.130 425 Y HA -0.030 4.520 4.550 -0.000 0.000 0.287 425 Y C 1.100 176.917 175.900 -0.138 0.000 1.124 425 Y CA 0.961 58.996 58.100 -0.109 0.000 1.118 425 Y CB -0.239 38.198 38.460 -0.038 0.000 0.994 425 Y HN 0.093 nan 8.280 nan 0.000 0.497 426 F N 0.488 120.271 119.950 -0.278 0.000 2.521 426 F HA 0.013 4.540 4.527 -0.000 0.000 0.298 426 F C 0.998 176.623 175.800 -0.292 0.000 1.289 426 F CA 0.139 57.919 58.000 -0.368 0.000 1.315 426 F CB 0.214 38.797 39.000 -0.695 0.000 1.257 426 F HN 0.125 nan 8.300 nan 0.000 0.541 427 M N 2.204 120.848 119.600 -1.594 0.000 2.212 427 M HA -0.256 4.224 4.480 -0.000 0.000 0.193 427 M C 0.238 176.225 176.300 -0.523 0.000 0.493 427 M CA 0.752 55.420 55.300 -1.052 0.000 0.427 427 M CB -1.120 31.073 32.600 -0.679 0.000 1.120 427 M HN 0.813 nan 8.290 nan 0.000 0.929 428 E N -1.065 118.862 120.200 -0.455 0.000 2.474 428 E HA 0.187 4.537 4.350 -0.000 0.000 0.195 428 E C -0.046 176.408 176.600 -0.242 0.000 1.039 428 E CA 0.125 56.345 56.400 -0.299 0.000 0.881 428 E CB 0.704 30.236 29.700 -0.281 0.000 0.970 428 E HN 0.403 nan 8.360 nan 0.000 0.486 429 V N 0.952 120.703 119.914 -0.271 0.000 2.483 429 V HA 0.568 4.688 4.120 -0.000 0.000 0.297 429 V C -0.661 175.316 176.094 -0.196 0.000 1.027 429 V CA -0.600 61.579 62.300 -0.201 0.000 0.855 429 V CB 1.607 33.331 31.823 -0.166 0.000 0.995 429 V HN 0.068 nan 8.190 nan 0.000 0.424 430 A N 3.066 125.797 122.820 -0.147 0.000 2.839 430 A HA 0.475 4.795 4.320 -0.000 0.000 0.303 430 A C -0.391 177.140 177.584 -0.089 0.000 1.181 430 A CA -0.309 51.658 52.037 -0.118 0.000 0.808 430 A CB 0.587 19.516 19.000 -0.119 0.000 1.391 430 A HN 0.633 nan 8.150 nan 0.000 0.433 431 D N 2.398 122.751 120.400 -0.079 0.000 2.615 431 D HA 0.406 5.046 4.640 -0.000 0.000 0.236 431 D C 1.161 177.430 176.300 -0.052 0.000 1.233 431 D CA 0.299 54.258 54.000 -0.067 0.000 0.829 431 D CB -0.487 40.271 40.800 -0.069 0.000 1.024 431 D HN 0.650 nan 8.370 nan 0.000 0.490 432 L N -1.492 119.703 121.223 -0.047 0.000 5.895 432 L HA -0.354 3.986 4.340 -0.000 0.000 0.053 432 L C 0.621 177.471 176.870 -0.034 0.000 2.741 432 L CA 1.254 56.072 54.840 -0.036 0.000 1.500 432 L CB -1.652 40.388 42.059 -0.032 0.000 2.928 432 L HN 0.285 nan 8.230 nan 0.000 1.023 433 N N -0.384 118.298 118.700 -0.029 0.000 3.112 433 N HA 0.646 5.386 4.740 -0.000 0.000 0.231 433 N C -0.386 175.109 175.510 -0.024 0.000 1.385 433 N CA 0.455 53.489 53.050 -0.027 0.000 0.790 433 N CB 0.470 38.943 38.487 -0.023 0.000 1.563 433 N HN 1.148 nan 8.380 nan 0.000 0.613 434 S N 1.041 116.726 115.700 -0.026 0.000 2.560 434 S HA 0.512 4.982 4.470 -0.000 0.000 0.276 434 S C -1.250 173.339 174.600 -0.019 0.000 1.350 434 S CA -0.537 57.649 58.200 -0.023 0.000 1.024 434 S CB -0.714 62.471 63.200 -0.025 0.000 0.864 434 S HN 0.584 nan 8.310 nan 0.000 0.536 435 P HA -0.095 nan 4.420 nan 0.000 0.041 435 P C 0.176 177.469 177.300 -0.012 0.000 0.590 435 P CA 0.562 63.654 63.100 -0.013 0.000 1.019 435 P CB -0.680 31.013 31.700 -0.012 0.000 1.776 436 L N 0.501 121.717 121.223 -0.012 0.000 2.127 436 L HA -0.100 4.240 4.340 -0.000 0.000 0.203 436 L C 2.670 179.535 176.870 -0.008 0.000 1.080 436 L CA 1.604 56.438 54.840 -0.009 0.000 0.768 436 L CB -0.991 41.063 42.059 -0.009 0.000 0.924 436 L HN 0.069 nan 8.230 nan 0.000 0.444 437 K N 0.938 121.332 120.400 -0.009 0.000 2.362 437 K HA -0.104 4.216 4.320 -0.000 0.000 0.202 437 K C 1.514 178.109 176.600 -0.008 0.000 1.045 437 K CA 1.920 58.202 56.287 -0.008 0.000 0.936 437 K CB -0.800 31.694 32.500 -0.010 0.000 0.747 437 K HN 0.511 nan 8.250 nan 0.000 0.467 438 I N -1.816 118.749 120.570 -0.008 0.000 4.338 438 I HA 0.223 4.393 4.170 -0.000 0.000 0.329 438 I C 2.411 178.524 176.117 -0.006 0.000 1.378 438 I CA 0.415 61.710 61.300 -0.007 0.000 1.170 438 I CB 0.760 38.755 38.000 -0.008 0.000 1.206 438 I HN 0.216 nan 8.210 nan 0.000 0.432 439 A N 1.626 124.442 122.820 -0.006 0.000 1.862 439 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 439 A C 1.435 179.017 177.584 -0.004 0.000 1.251 439 A CA 2.125 54.159 52.037 -0.006 0.000 0.673 439 A CB -1.157 17.840 19.000 -0.005 0.000 0.843 439 A HN 0.414 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