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 3ifh_1_2 DATA FIRST_RESID 3 DATA SEQUENCE GSMKDPSLLR HQAYIGGEWQ AADSDATFEV FDPATGESLG TVPKMGAAET DATA SEQUENCE ARAIEAAQAA WAGWRMKTAK ERAAILRRWF DLVIANSDDL ALILTTEQGK DATA SEQUENCE PLAEAKGEIA YAASFIEWFA EEGKRVAGDT LPTPDANKRI VVVKEPIGVC DATA SEQUENCE AAITPWNFPA AMIARKVGPA LAAGCPIVVK PAESTPFSAL AMAFLAERAG DATA SEQUENCE VPKGVLSVVI GDPKAIGTEI TSNPIVRKLS FTGSTAVGRL LMAQSAPTVK DATA SEQUENCE KLTLELGGNA PFIVFDDADL DAAVEGAIAS KYRNNGQTCV CTNRFFVHER DATA SEQUENCE VYDAFADKLA AAVSKLKVGR GTESGATLGP LINEAAVKKV ESHIADALAK DATA SEQUENCE GASLMTGGKR HALGHGFFEP TVLTGVKPDM DVAKEETFGP LAPLFRFASE DATA SEQUENCE EELVRLANDT EFGLAAYLYS RDIGRVWRVA EALEYGMVGI NTGLISNEVA DATA SEQUENCE PFGGVKQSGL GREGSHYGID DYVVIKYLCV AV 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 3 G C 0.000 174.875 174.900 -0.041 0.000 0.946 3 G CA 0.000 45.067 45.100 -0.055 0.000 0.502 4 S N -0.773 114.904 115.700 -0.040 0.000 2.779 4 S HA 0.572 5.043 4.470 0.000 0.000 0.235 4 S C -0.349 174.236 174.600 -0.024 0.000 0.764 4 S CA -0.389 57.795 58.200 -0.027 0.000 1.050 4 S CB -0.340 62.846 63.200 -0.023 0.000 1.485 4 S HN 0.134 nan 8.310 nan 0.000 0.485 5 M N 0.792 120.376 119.600 -0.027 0.000 2.593 5 M HA 0.543 5.023 4.480 0.000 0.000 0.290 5 M C 0.335 176.626 176.300 -0.014 0.000 1.244 5 M CA -0.709 54.579 55.300 -0.020 0.000 0.857 5 M CB 1.933 34.517 32.600 -0.027 0.000 1.738 5 M HN -0.076 nan 8.290 nan 0.000 0.461 6 K N 0.133 120.529 120.400 -0.006 0.000 2.152 6 K HA -0.100 4.220 4.320 0.000 0.000 0.206 6 K C 0.032 176.634 176.600 0.003 0.000 1.048 6 K CA 1.173 57.460 56.287 -0.001 0.000 0.933 6 K CB 0.032 32.535 32.500 0.004 0.000 0.721 6 K HN 0.398 nan 8.250 nan 0.000 0.447 7 D N -1.106 119.298 120.400 0.005 0.000 2.400 7 D HA 0.175 4.815 4.640 0.000 0.000 0.272 7 D C -2.366 173.925 176.300 -0.014 0.000 1.220 7 D CA -2.273 51.736 54.000 0.015 0.000 0.897 7 D CB 1.057 41.890 40.800 0.055 0.000 1.134 7 D HN -0.199 nan 8.370 nan 0.000 0.507 8 P HA -0.065 nan 4.420 nan 0.000 0.228 8 P C 0.808 178.036 177.300 -0.120 0.000 1.151 8 P CA 0.682 63.738 63.100 -0.074 0.000 0.770 8 P CB 0.123 31.780 31.700 -0.071 0.000 0.786 9 S N -1.958 113.663 115.700 -0.132 0.000 2.710 9 S HA 0.147 4.617 4.470 0.000 0.000 0.224 9 S C 1.331 175.699 174.600 -0.387 0.000 0.948 9 S CA -0.043 57.985 58.200 -0.286 0.000 0.949 9 S CB -1.104 61.913 63.200 -0.304 0.000 0.778 9 S HN 0.113 nan 8.310 nan 0.000 0.498 10 L N 0.158 121.290 121.223 -0.151 0.000 2.446 10 L HA 0.357 4.697 4.340 0.000 0.000 0.219 10 L C 0.519 177.309 176.870 -0.133 0.000 1.116 10 L CA 0.136 54.946 54.840 -0.050 0.000 0.844 10 L CB 0.078 42.170 42.059 0.055 0.000 0.970 10 L HN 0.354 nan 8.230 nan 0.000 0.457 11 L N 1.679 122.780 121.223 -0.205 0.000 2.261 11 L HA 0.318 4.658 4.340 0.000 0.000 0.289 11 L C -0.170 176.520 176.870 -0.301 0.000 1.059 11 L CA 0.025 54.693 54.840 -0.286 0.000 0.816 11 L CB 0.101 41.970 42.059 -0.318 0.000 1.191 11 L HN -0.008 nan 8.230 nan 0.000 0.431 12 R N 4.214 124.541 120.500 -0.289 0.000 2.732 12 R HA 0.436 4.776 4.340 0.000 0.000 0.278 12 R C -0.268 175.928 176.300 -0.175 0.000 0.976 12 R CA -0.570 55.382 56.100 -0.246 0.000 0.963 12 R CB 1.024 31.107 30.300 -0.363 0.000 1.150 12 R HN 0.671 nan 8.270 nan 0.000 0.478 13 H N 0.233 119.298 119.070 -0.009 0.000 2.649 13 H HA 0.288 4.844 4.556 0.000 0.000 0.258 13 H C -0.326 175.036 175.328 0.056 0.000 1.165 13 H CA -0.075 56.016 56.048 0.072 0.000 1.006 13 H CB 1.643 31.408 29.762 0.005 0.000 1.743 13 H HN 0.362 nan 8.280 nan 0.000 0.609 14 Q N 0.531 120.452 119.800 0.201 0.000 2.389 14 Q HA 0.632 4.973 4.340 0.000 0.000 0.277 14 Q C -0.748 175.500 176.000 0.413 0.000 1.082 14 Q CA -0.847 55.117 55.803 0.267 0.000 0.810 14 Q CB 3.401 32.330 28.738 0.317 0.000 1.374 14 Q HN 0.282 nan 8.270 nan 0.000 0.422 15 A N 0.996 123.978 122.820 0.270 0.000 2.346 15 A HA 0.289 4.609 4.320 0.000 0.000 0.252 15 A C -1.384 176.292 177.584 0.153 0.000 1.089 15 A CA 0.117 52.278 52.037 0.207 0.000 0.797 15 A CB 0.255 19.306 19.000 0.087 0.000 1.047 15 A HN 0.668 nan 8.150 nan 0.000 0.494 16 Y N 1.936 122.096 120.300 -0.232 0.000 2.575 16 Y HA 0.474 5.024 4.550 0.000 0.000 0.326 16 Y C -0.927 174.763 175.900 -0.349 0.000 0.979 16 Y CA -1.267 56.471 58.100 -0.604 0.000 1.286 16 Y CB 0.705 38.595 38.460 -0.950 0.000 1.093 16 Y HN 0.386 nan 8.280 nan 0.000 0.501 17 I N 5.648 125.906 120.570 -0.520 0.000 2.330 17 I HA 0.304 4.474 4.170 0.000 0.000 0.286 17 I C 1.163 177.004 176.117 -0.461 0.000 1.025 17 I CA -0.514 60.566 61.300 -0.368 0.000 1.197 17 I CB 0.614 38.497 38.000 -0.195 0.000 1.358 17 I HN 0.912 nan 8.210 nan 0.000 0.467 18 G N 4.949 113.488 108.800 -0.435 0.000 2.269 18 G HA2 -0.191 3.769 3.960 0.000 0.000 0.277 18 G HA3 -0.191 3.769 3.960 0.000 0.000 0.277 18 G C 0.989 175.595 174.900 -0.491 0.000 1.008 18 G CA 0.915 45.789 45.100 -0.376 0.000 0.774 18 G HN 1.554 nan 8.290 nan 0.000 0.511 19 G N -1.888 106.342 108.800 -0.949 0.000 2.205 19 G HA2 -0.100 3.860 3.960 0.000 0.000 0.180 19 G HA3 -0.100 3.860 3.960 0.000 0.000 0.180 19 G C -0.163 174.294 174.900 -0.738 0.000 1.004 19 G CA 0.518 45.067 45.100 -0.918 0.000 0.670 19 G HN 0.876 nan 8.290 nan 0.000 0.496 20 E N -0.750 119.004 120.200 -0.742 0.000 2.199 20 E HA 0.482 4.832 4.350 0.000 0.000 0.269 20 E C -0.805 175.586 176.600 -0.349 0.000 0.899 20 E CA -1.098 55.091 56.400 -0.352 0.000 0.772 20 E CB 1.219 30.814 29.700 -0.175 0.000 1.155 20 E HN 0.255 nan 8.360 nan 0.000 0.408 21 W N 2.939 124.305 121.300 0.111 0.000 2.437 21 W HA 0.180 4.840 4.660 0.000 0.000 0.312 21 W C 0.362 176.914 176.519 0.055 0.000 1.242 21 W CA -0.208 57.217 57.345 0.132 0.000 1.340 21 W CB 0.540 30.083 29.460 0.138 0.000 1.327 21 W HN 0.208 nan 8.180 nan 0.000 0.476 22 Q N 2.088 122.015 119.800 0.211 0.000 2.433 22 Q HA 0.771 5.111 4.340 0.000 0.000 0.279 22 Q C -0.159 175.908 176.000 0.111 0.000 1.105 22 Q CA -0.987 54.883 55.803 0.111 0.000 0.815 22 Q CB 2.470 31.222 28.738 0.024 0.000 1.403 22 Q HN 0.541 nan 8.270 nan 0.000 0.435 23 A N 0.756 123.619 122.820 0.072 0.000 2.621 23 A HA 0.843 5.163 4.320 0.000 0.000 0.267 23 A C -0.661 176.943 177.584 0.033 0.000 1.506 23 A CA -0.144 51.924 52.037 0.052 0.000 0.873 23 A CB 0.157 19.181 19.000 0.039 0.000 1.577 23 A HN 0.708 nan 8.150 nan 0.000 0.536 24 A N -0.813 122.020 122.820 0.023 0.000 2.309 24 A HA 0.475 4.795 4.320 0.000 0.000 0.298 24 A C 0.109 177.705 177.584 0.019 0.000 1.165 24 A CA -0.318 51.732 52.037 0.022 0.000 0.821 24 A CB -0.050 18.965 19.000 0.024 0.000 1.102 24 A HN 0.647 nan 8.150 nan 0.000 0.500 25 D N 1.270 121.680 120.400 0.016 0.000 2.362 25 D HA -0.136 4.504 4.640 0.000 0.000 0.215 25 D C 1.656 177.964 176.300 0.014 0.000 0.978 25 D CA 2.157 56.164 54.000 0.012 0.000 0.921 25 D CB 0.105 40.910 40.800 0.009 0.000 0.895 25 D HN 0.596 nan 8.370 nan 0.000 0.494 26 S N -1.835 113.876 115.700 0.018 0.000 2.603 26 S HA 0.103 4.573 4.470 0.000 0.000 0.232 26 S C 0.615 175.227 174.600 0.019 0.000 1.016 26 S CA -0.002 58.209 58.200 0.019 0.000 0.976 26 S CB 1.102 64.316 63.200 0.023 0.000 0.921 26 S HN -0.070 nan 8.310 nan 0.000 0.516 27 D N 0.910 121.321 120.400 0.018 0.000 3.046 27 D HA -0.159 4.481 4.640 0.000 0.000 0.210 27 D C 0.229 176.539 176.300 0.016 0.000 1.124 27 D CA 1.028 55.038 54.000 0.015 0.000 0.986 27 D CB -1.514 39.294 40.800 0.013 0.000 1.118 27 D HN 0.822 nan 8.370 nan 0.000 0.416 28 A N 0.054 122.890 122.820 0.026 0.000 2.440 28 A HA 0.559 4.879 4.320 0.000 0.000 0.251 28 A C 0.976 178.577 177.584 0.029 0.000 1.089 28 A CA 0.913 52.973 52.037 0.038 0.000 0.779 28 A CB 0.559 19.593 19.000 0.057 0.000 1.022 28 A HN 0.451 nan 8.150 nan 0.000 0.492 29 T N -0.934 113.636 114.554 0.027 0.000 2.831 29 T HA 0.852 5.202 4.350 0.000 0.000 0.287 29 T C -0.459 174.281 174.700 0.065 0.000 1.070 29 T CA -0.455 61.618 62.100 -0.044 0.000 1.010 29 T CB 1.285 70.105 68.868 -0.080 0.000 1.264 29 T HN 1.375 nan 8.240 nan 0.000 0.532 30 F N -1.778 118.177 119.950 0.008 0.000 2.685 30 F HA 0.861 5.388 4.527 0.000 0.000 0.315 30 F C -0.688 175.094 175.800 -0.030 0.000 1.126 30 F CA -1.317 56.684 58.000 0.003 0.000 0.950 30 F CB 0.997 40.003 39.000 0.010 0.000 1.360 30 F HN 0.677 nan 8.300 nan 0.000 0.469 31 E N 0.468 120.794 120.200 0.211 0.000 2.250 31 E HA 0.674 5.025 4.350 0.000 0.000 0.265 31 E C -1.447 175.130 176.600 -0.039 0.000 1.033 31 E CA -1.187 55.173 56.400 -0.067 0.000 0.888 31 E CB 2.316 31.822 29.700 -0.324 0.000 1.151 31 E HN 0.502 nan 8.360 nan 0.000 0.412 32 V N 2.878 122.664 119.914 -0.214 0.000 2.444 32 V HA 0.355 4.475 4.120 0.000 0.000 0.294 32 V C -0.949 175.014 176.094 -0.218 0.000 1.022 32 V CA -0.681 61.566 62.300 -0.088 0.000 0.850 32 V CB 0.574 32.396 31.823 -0.001 0.000 0.992 32 V HN 0.489 nan 8.190 nan 0.000 0.426 33 F N 1.667 121.662 119.950 0.075 0.000 2.470 33 F HA 0.431 4.958 4.527 0.000 0.000 0.329 33 F C 0.692 176.495 175.800 0.005 0.000 1.072 33 F CA -0.655 57.362 58.000 0.029 0.000 0.989 33 F CB 1.045 40.036 39.000 -0.014 0.000 1.193 33 F HN 0.434 nan 8.300 nan 0.000 0.481 34 D N 3.877 124.386 120.400 0.182 0.000 2.390 34 D HA 0.074 4.714 4.640 0.000 0.000 0.249 34 D C -1.561 174.742 176.300 0.006 0.000 1.144 34 D CA -1.435 52.609 54.000 0.073 0.000 0.880 34 D CB 1.635 42.463 40.800 0.048 0.000 1.182 34 D HN 0.198 nan 8.370 nan 0.000 0.451 35 P HA -0.018 nan 4.420 nan 0.000 0.225 35 P C 0.593 177.802 177.300 -0.150 0.000 1.156 35 P CA 0.491 63.522 63.100 -0.115 0.000 0.787 35 P CB 0.459 32.070 31.700 -0.149 0.000 0.802 36 A N 0.865 123.627 122.820 -0.097 0.000 1.864 36 A HA -0.018 4.302 4.320 0.000 0.000 0.213 36 A C 2.304 179.980 177.584 0.153 0.000 1.266 36 A CA 2.117 54.183 52.037 0.048 0.000 0.612 36 A CB -1.621 17.481 19.000 0.169 0.000 0.940 36 A HN 0.292 nan 8.150 nan 0.000 0.463 37 T N -3.763 110.824 114.554 0.054 0.000 3.023 37 T HA 0.331 4.681 4.350 0.000 0.000 0.266 37 T C 1.506 176.019 174.700 -0.312 0.000 1.093 37 T CA 1.359 63.469 62.100 0.016 0.000 1.129 37 T CB -0.212 68.696 68.868 0.066 0.000 0.899 37 T HN 1.872 nan 8.240 nan 0.000 0.491 38 G N 2.087 110.656 108.800 -0.385 0.000 2.162 38 G HA2 -0.277 3.683 3.960 0.000 0.000 0.260 38 G HA3 -0.277 3.683 3.960 0.000 0.000 0.260 38 G C -0.173 174.731 174.900 0.007 0.000 0.976 38 G CA 0.299 45.164 45.100 -0.392 0.000 0.655 38 G HN 1.026 nan 8.290 nan 0.000 0.533 39 E N 0.269 120.521 120.200 0.087 0.000 2.313 39 E HA 0.592 4.943 4.350 0.000 0.000 0.272 39 E C 0.433 177.168 176.600 0.225 0.000 1.038 39 E CA -0.099 56.404 56.400 0.172 0.000 0.863 39 E CB 1.331 31.084 29.700 0.088 0.000 1.060 39 E HN 0.303 nan 8.360 nan 0.000 0.402 40 S N 0.895 116.689 115.700 0.157 0.000 2.560 40 S HA 0.172 4.642 4.470 0.000 0.000 0.284 40 S C 0.354 174.911 174.600 -0.072 0.000 1.327 40 S CA 0.098 58.212 58.200 -0.144 0.000 1.055 40 S CB 0.375 63.474 63.200 -0.168 0.000 0.868 40 S HN 0.706 nan 8.310 nan 0.000 0.506 41 L N 2.829 124.000 121.223 -0.085 0.000 3.168 41 L HA 0.727 5.067 4.340 0.000 0.000 0.277 41 L C 1.152 178.060 176.870 0.064 0.000 1.245 41 L CA 0.410 55.248 54.840 -0.004 0.000 1.035 41 L CB -1.125 40.965 42.059 0.051 0.000 1.399 41 L HN 1.458 nan 8.230 nan 0.000 0.580 42 G N -0.770 108.064 108.800 0.057 0.000 2.384 42 G HA2 0.388 4.348 3.960 0.000 0.000 0.204 42 G HA3 0.388 4.348 3.960 0.000 0.000 0.204 42 G C -0.023 174.971 174.900 0.157 0.000 1.237 42 G CA 0.313 45.512 45.100 0.165 0.000 1.060 42 G HN 2.070 nan 8.290 nan 0.000 0.514 43 T N -2.767 111.949 114.554 0.272 0.000 2.865 43 T HA 0.941 5.291 4.350 0.000 0.000 0.294 43 T C -0.217 174.498 174.700 0.026 0.000 1.119 43 T CA 0.235 62.367 62.100 0.053 0.000 1.007 43 T CB 1.683 70.528 68.868 -0.037 0.000 1.225 43 T HN 2.270 nan 8.240 nan 0.000 0.515 44 V N -2.437 117.297 119.914 -0.299 0.000 3.078 44 V HA 0.790 4.910 4.120 0.000 0.000 0.311 44 V C -3.160 172.680 176.094 -0.424 0.000 1.138 44 V CA -3.127 58.970 62.300 -0.337 0.000 1.007 44 V CB 1.344 32.882 31.823 -0.474 0.000 1.045 44 V HN 0.779 nan 8.190 nan 0.000 0.432 45 P HA 0.181 nan 4.420 nan 0.000 0.265 45 P C -0.823 176.414 177.300 -0.104 0.000 1.193 45 P CA 0.031 63.061 63.100 -0.118 0.000 0.765 45 P CB 0.363 32.050 31.700 -0.020 0.000 0.823 46 K N 4.347 124.755 120.400 0.015 0.000 2.265 46 K HA 0.259 4.579 4.320 0.000 0.000 0.242 46 K C -0.097 176.571 176.600 0.113 0.000 1.137 46 K CA -0.154 56.241 56.287 0.180 0.000 1.082 46 K CB -0.483 32.174 32.500 0.262 0.000 1.731 46 K HN 0.425 nan 8.250 nan 0.000 0.392 47 M N 0.518 120.174 119.600 0.093 0.000 2.197 47 M HA 0.321 4.801 4.480 0.000 0.000 0.305 47 M C 0.886 177.221 176.300 0.058 0.000 1.162 47 M CA -0.133 55.202 55.300 0.059 0.000 1.099 47 M CB 1.397 34.023 32.600 0.042 0.000 1.430 47 M HN 0.596 nan 8.290 nan 0.000 0.481 48 G N -0.726 108.096 108.800 0.036 0.000 3.214 48 G HA2 0.595 4.555 3.960 0.000 0.000 0.188 48 G HA3 0.595 4.555 3.960 0.000 0.000 0.188 48 G C 0.370 175.278 174.900 0.013 0.000 1.126 48 G CA 0.117 45.233 45.100 0.027 0.000 0.796 48 G HN 0.737 nan 8.290 nan 0.000 0.631 49 A N -0.237 122.587 122.820 0.007 0.000 1.858 49 A HA 0.261 4.581 4.320 0.000 0.000 0.216 49 A C 2.776 180.358 177.584 -0.004 0.000 1.190 49 A CA 2.981 55.018 52.037 -0.001 0.000 0.617 49 A CB -1.253 17.745 19.000 -0.003 0.000 0.827 49 A HN 1.553 nan 8.150 nan 0.000 0.443 50 A N 0.084 122.903 122.820 -0.002 0.000 1.896 50 A HA -0.282 4.038 4.320 0.000 0.000 0.220 50 A C 1.862 179.440 177.584 -0.010 0.000 1.206 50 A CA 2.337 54.371 52.037 -0.005 0.000 0.647 50 A CB -0.727 18.272 19.000 -0.001 0.000 0.828 50 A HN 0.591 nan 8.150 nan 0.000 0.455 51 E N -0.879 119.316 120.200 -0.007 0.000 2.152 51 E HA -0.033 4.317 4.350 0.000 0.000 0.192 51 E C 2.035 178.621 176.600 -0.023 0.000 0.983 51 E CA 1.361 57.752 56.400 -0.015 0.000 0.818 51 E CB -0.462 29.234 29.700 -0.007 0.000 0.758 51 E HN 0.627 nan 8.360 nan 0.000 0.467 52 T N 0.744 115.289 114.554 -0.015 0.000 2.777 52 T HA -0.134 4.216 4.350 0.000 0.000 0.266 52 T C 2.046 176.729 174.700 -0.028 0.000 1.040 52 T CA 1.187 63.276 62.100 -0.020 0.000 1.141 52 T CB -0.407 68.454 68.868 -0.011 0.000 0.868 52 T HN 0.285 nan 8.240 nan 0.000 0.444 53 A N 2.238 125.044 122.820 -0.023 0.000 1.873 53 A HA -0.218 4.102 4.320 0.000 0.000 0.218 53 A C 2.396 179.962 177.584 -0.031 0.000 1.193 53 A CA 1.695 53.718 52.037 -0.024 0.000 0.629 53 A CB -0.635 18.354 19.000 -0.018 0.000 0.826 53 A HN 0.374 nan 8.150 nan 0.000 0.447 54 R N -0.867 119.613 120.500 -0.034 0.000 2.096 54 R HA -0.187 4.153 4.340 0.000 0.000 0.240 54 R C 2.517 178.781 176.300 -0.061 0.000 1.139 54 R CA 1.470 57.544 56.100 -0.044 0.000 0.952 54 R CB -0.604 29.669 30.300 -0.046 0.000 0.854 54 R HN 0.555 nan 8.270 nan 0.000 0.436 55 A N 0.983 123.762 122.820 -0.069 0.000 1.933 55 A HA -0.152 4.168 4.320 0.000 0.000 0.218 55 A C 2.165 179.701 177.584 -0.080 0.000 1.175 55 A CA 1.271 53.253 52.037 -0.090 0.000 0.628 55 A CB -0.440 18.508 19.000 -0.086 0.000 0.814 55 A HN 0.203 nan 8.150 nan 0.000 0.444 56 I N -0.728 119.806 120.570 -0.060 0.000 2.202 56 I HA -0.249 3.921 4.170 0.000 0.000 0.242 56 I C 2.527 178.617 176.117 -0.044 0.000 1.091 56 I CA 1.671 62.938 61.300 -0.055 0.000 1.368 56 I CB -0.381 37.592 38.000 -0.044 0.000 1.058 56 I HN 0.381 nan 8.210 nan 0.000 0.410 57 E N 0.735 120.915 120.200 -0.034 0.000 2.058 57 E HA -0.250 4.100 4.350 0.000 0.000 0.194 57 E C 2.326 178.914 176.600 -0.020 0.000 0.997 57 E CA 1.419 57.808 56.400 -0.019 0.000 0.801 57 E CB -0.219 29.471 29.700 -0.018 0.000 0.746 57 E HN 0.517 nan 8.360 nan 0.000 0.450 58 A N 1.168 123.961 122.820 -0.045 0.000 1.940 58 A HA -0.180 4.140 4.320 0.000 0.000 0.219 58 A C 2.356 179.912 177.584 -0.047 0.000 1.176 58 A CA 1.795 53.798 52.037 -0.056 0.000 0.631 58 A CB -0.713 18.228 19.000 -0.099 0.000 0.814 58 A HN 0.325 nan 8.150 nan 0.000 0.446 59 A N -1.003 121.782 122.820 -0.058 0.000 1.902 59 A HA -0.234 4.086 4.320 0.000 0.000 0.217 59 A C 2.187 179.787 177.584 0.026 0.000 1.181 59 A CA 1.789 53.794 52.037 -0.053 0.000 0.623 59 A CB -0.571 18.374 19.000 -0.093 0.000 0.818 59 A HN 0.653 nan 8.150 nan 0.000 0.443 60 Q N -0.769 119.055 119.800 0.040 0.000 2.124 60 Q HA -0.112 4.229 4.340 0.000 0.000 0.202 60 Q C 2.180 178.275 176.000 0.158 0.000 0.977 60 Q CA 1.314 57.192 55.803 0.126 0.000 0.850 60 Q CB -0.288 28.502 28.738 0.087 0.000 0.901 60 Q HN 0.643 nan 8.270 nan 0.000 0.429 61 A N 0.321 123.192 122.820 0.085 0.000 1.969 61 A HA -0.045 4.275 4.320 0.000 0.000 0.218 61 A C 2.135 179.773 177.584 0.089 0.000 1.169 61 A CA 1.452 53.531 52.037 0.069 0.000 0.635 61 A CB -0.580 18.436 19.000 0.028 0.000 0.810 61 A HN 0.493 nan 8.150 nan 0.000 0.445 62 A N -1.876 121.002 122.820 0.097 0.000 2.016 62 A HA -0.003 4.317 4.320 0.000 0.000 0.217 62 A C 1.822 179.556 177.584 0.249 0.000 1.162 62 A CA 1.176 53.285 52.037 0.119 0.000 0.662 62 A CB -0.711 18.311 19.000 0.038 0.000 0.812 62 A HN 0.777 nan 8.150 nan 0.000 0.450 63 W N 1.334 122.669 121.300 0.057 0.000 2.318 63 W HA -0.280 4.380 4.660 0.000 0.000 0.313 63 W C 2.364 178.963 176.519 0.133 0.000 1.221 63 W CA 1.965 59.374 57.345 0.106 0.000 1.266 63 W CB -0.792 28.709 29.460 0.068 0.000 1.150 63 W HN 0.360 nan 8.180 nan 0.000 0.496 64 A N 0.457 123.293 122.820 0.027 0.000 1.877 64 A HA -0.035 4.285 4.320 0.000 0.000 0.216 64 A C 2.341 179.897 177.584 -0.047 0.000 1.186 64 A CA 2.482 54.419 52.037 -0.167 0.000 0.620 64 A CB -1.629 17.291 19.000 -0.132 0.000 0.822 64 A HN 0.408 nan 8.150 nan 0.000 0.443 65 G N -1.424 107.408 108.800 0.054 0.000 2.459 65 G HA2 -0.310 3.650 3.960 0.000 0.000 0.217 65 G HA3 -0.310 3.650 3.960 0.000 0.000 0.217 65 G C 1.551 176.532 174.900 0.134 0.000 1.183 65 G CA 0.941 46.089 45.100 0.079 0.000 0.776 65 G HN 0.668 nan 8.290 nan 0.000 0.552 66 W N 2.683 124.004 121.300 0.034 0.000 2.318 66 W HA -0.192 4.468 4.660 0.000 0.000 0.313 66 W C 2.772 179.324 176.519 0.056 0.000 1.221 66 W CA 1.942 59.323 57.345 0.060 0.000 1.266 66 W CB 0.020 29.546 29.460 0.111 0.000 1.150 66 W HN 0.350 nan 8.180 nan 0.000 0.496 67 R N 0.105 120.665 120.500 0.101 0.000 2.235 67 R HA -0.110 4.230 4.340 0.000 0.000 0.213 67 R C 2.134 178.354 176.300 -0.133 0.000 1.059 67 R CA 1.243 57.318 56.100 -0.042 0.000 0.997 67 R CB -0.976 29.288 30.300 -0.060 0.000 0.884 67 R HN 0.228 nan 8.270 nan 0.000 0.462 68 M N 1.286 120.813 119.600 -0.123 0.000 2.296 68 M HA 0.011 4.491 4.480 0.000 0.000 0.265 68 M C 0.082 176.304 176.300 -0.131 0.000 1.064 68 M CA 1.205 56.436 55.300 -0.115 0.000 1.109 68 M CB 0.206 32.756 32.600 -0.084 0.000 1.396 68 M HN 0.055 nan 8.290 nan 0.000 0.430 69 K N 1.250 121.537 120.400 -0.189 0.000 2.397 69 K HA 0.016 4.336 4.320 0.000 0.000 0.265 69 K C 0.376 176.859 176.600 -0.195 0.000 0.982 69 K CA 0.261 56.417 56.287 -0.218 0.000 0.931 69 K CB 0.248 32.534 32.500 -0.357 0.000 0.943 69 K HN 0.260 nan 8.250 nan 0.000 0.501 70 T N -1.448 113.015 114.554 -0.153 0.000 2.882 70 T HA 0.258 4.608 4.350 0.000 0.000 0.287 70 T C 1.360 175.976 174.700 -0.139 0.000 1.014 70 T CA -0.422 61.607 62.100 -0.120 0.000 1.049 70 T CB 1.499 70.317 68.868 -0.084 0.000 1.001 70 T HN 0.565 nan 8.240 nan 0.000 0.525 71 A N 1.384 124.144 122.820 -0.100 0.000 1.873 71 A HA -0.153 4.167 4.320 0.000 0.000 0.218 71 A C 2.305 179.844 177.584 -0.075 0.000 1.193 71 A CA 2.133 54.121 52.037 -0.083 0.000 0.629 71 A CB -1.018 17.953 19.000 -0.048 0.000 0.826 71 A HN 0.996 nan 8.150 nan 0.000 0.447 72 K N -0.421 119.941 120.400 -0.063 0.000 2.074 72 K HA -0.250 4.070 4.320 0.000 0.000 0.209 72 K C 2.030 178.599 176.600 -0.052 0.000 1.048 72 K CA 1.988 58.246 56.287 -0.049 0.000 0.926 72 K CB -0.213 32.262 32.500 -0.042 0.000 0.713 72 K HN 0.646 nan 8.250 nan 0.000 0.444 73 E N -0.029 120.123 120.200 -0.080 0.000 2.072 73 E HA -0.149 4.201 4.350 0.000 0.000 0.191 73 E C 2.182 178.713 176.600 -0.114 0.000 0.985 73 E CA 0.965 57.311 56.400 -0.089 0.000 0.801 73 E CB 0.167 29.798 29.700 -0.115 0.000 0.750 73 E HN 0.271 nan 8.360 nan 0.000 0.452 74 R N -0.129 120.257 120.500 -0.191 0.000 2.092 74 R HA -0.072 4.268 4.340 0.000 0.000 0.231 74 R C 2.351 178.647 176.300 -0.006 0.000 1.119 74 R CA 0.920 56.881 56.100 -0.232 0.000 0.970 74 R CB -0.233 29.845 30.300 -0.371 0.000 0.864 74 R HN 0.106 nan 8.270 nan 0.000 0.440 75 A N 1.432 124.253 122.820 0.002 0.000 1.940 75 A HA -0.167 4.153 4.320 0.000 0.000 0.219 75 A C 2.384 180.015 177.584 0.079 0.000 1.176 75 A CA 1.768 53.836 52.037 0.052 0.000 0.631 75 A CB -0.615 18.393 19.000 0.013 0.000 0.814 75 A HN 0.404 nan 8.150 nan 0.000 0.446 76 A N -0.025 122.826 122.820 0.051 0.000 1.908 76 A HA -0.134 4.186 4.320 0.000 0.000 0.218 76 A C 2.090 179.744 177.584 0.117 0.000 1.181 76 A CA 1.695 53.774 52.037 0.070 0.000 0.627 76 A CB -0.630 18.393 19.000 0.039 0.000 0.818 76 A HN 0.528 nan 8.150 nan 0.000 0.445 77 I N -0.487 120.164 120.570 0.134 0.000 2.315 77 I HA -0.205 3.965 4.170 0.000 0.000 0.248 77 I C 2.324 178.598 176.117 0.261 0.000 1.117 77 I CA 0.781 62.196 61.300 0.192 0.000 1.404 77 I CB -0.261 37.887 38.000 0.247 0.000 1.071 77 I HN 0.278 nan 8.210 nan 0.000 0.419 78 L N 0.201 121.596 121.223 0.288 0.000 2.027 78 L HA -0.161 4.179 4.340 0.000 0.000 0.206 78 L C 2.757 179.856 176.870 0.381 0.000 1.074 78 L CA 1.260 56.330 54.840 0.383 0.000 0.745 78 L CB -0.562 41.701 42.059 0.340 0.000 0.898 78 L HN 0.190 nan 8.230 nan 0.000 0.433 79 R N 0.315 120.978 120.500 0.271 0.000 2.159 79 R HA -0.143 4.197 4.340 0.000 0.000 0.237 79 R C 2.326 178.819 176.300 0.322 0.000 1.131 79 R CA 1.183 57.456 56.100 0.288 0.000 0.982 79 R CB 0.021 30.432 30.300 0.185 0.000 0.868 79 R HN 0.306 nan 8.270 nan 0.000 0.453 80 R N -1.371 119.288 120.500 0.266 0.000 2.200 80 R HA -0.116 4.224 4.340 0.000 0.000 0.208 80 R C 1.644 178.109 176.300 0.276 0.000 1.033 80 R CA 0.891 57.121 56.100 0.216 0.000 1.000 80 R CB -0.207 30.187 30.300 0.157 0.000 0.906 80 R HN 0.318 nan 8.270 nan 0.000 0.462 81 W N 1.095 122.471 121.300 0.126 0.000 2.443 81 W HA -0.122 4.538 4.660 0.000 0.000 0.296 81 W C 1.770 178.373 176.519 0.140 0.000 1.202 81 W CA 0.260 57.669 57.345 0.106 0.000 1.312 81 W CB -0.643 28.888 29.460 0.118 0.000 1.120 81 W HN -0.058 nan 8.180 nan 0.000 0.536 82 F N 2.133 122.139 119.950 0.093 0.000 2.069 82 F HA -0.269 4.258 4.527 0.000 0.000 0.298 82 F C 2.048 177.835 175.800 -0.023 0.000 1.113 82 F CA 2.623 60.597 58.000 -0.043 0.000 1.214 82 F CB -0.895 38.119 39.000 0.024 0.000 0.978 82 F HN -0.239 nan 8.300 nan 0.000 0.474 83 D N 0.672 120.959 120.400 -0.188 0.000 2.149 83 D HA -0.195 4.445 4.640 0.000 0.000 0.198 83 D C 2.376 178.556 176.300 -0.199 0.000 0.990 83 D CA 1.740 55.578 54.000 -0.270 0.000 0.839 83 D CB -0.546 40.226 40.800 -0.045 0.000 0.948 83 D HN 0.371 nan 8.370 nan 0.000 0.460 84 L N 0.096 121.273 121.223 -0.076 0.000 2.313 84 L HA -0.063 4.277 4.340 0.000 0.000 0.214 84 L C 2.364 179.186 176.870 -0.081 0.000 1.119 84 L CA 0.136 54.954 54.840 -0.037 0.000 0.809 84 L CB 0.071 42.166 42.059 0.060 0.000 0.933 84 L HN -0.086 nan 8.230 nan 0.000 0.449 85 V N -0.414 119.396 119.914 -0.174 0.000 2.302 85 V HA -0.219 3.901 4.120 0.000 0.000 0.243 85 V C 2.381 178.365 176.094 -0.184 0.000 1.036 85 V CA 1.136 63.324 62.300 -0.187 0.000 1.020 85 V CB -0.204 31.454 31.823 -0.275 0.000 0.657 85 V HN 0.209 nan 8.190 nan 0.000 0.453 86 I N 0.938 121.317 120.570 -0.319 0.000 2.194 86 I HA -0.280 3.890 4.170 0.000 0.000 0.246 86 I C 2.615 178.630 176.117 -0.172 0.000 1.093 86 I CA 2.261 63.385 61.300 -0.294 0.000 1.355 86 I CB -1.502 36.178 38.000 -0.533 0.000 1.046 86 I HN 0.335 nan 8.210 nan 0.000 0.413 87 A N 0.084 122.809 122.820 -0.157 0.000 1.968 87 A HA -0.095 4.225 4.320 0.000 0.000 0.217 87 A C 1.783 179.337 177.584 -0.050 0.000 1.169 87 A CA 1.042 53.026 52.037 -0.089 0.000 0.638 87 A CB -0.431 18.525 19.000 -0.074 0.000 0.812 87 A HN 0.423 nan 8.150 nan 0.000 0.446 88 N N -0.033 118.641 118.700 -0.044 0.000 2.327 88 N HA 0.059 4.799 4.740 0.000 0.000 0.231 88 N C 1.209 176.714 175.510 -0.009 0.000 1.130 88 N CA 0.528 53.571 53.050 -0.011 0.000 0.845 88 N CB 0.393 38.889 38.487 0.015 0.000 1.073 88 N HN 0.422 nan 8.380 nan 0.000 0.496 89 S N 1.526 117.211 115.700 -0.025 0.000 2.351 89 S HA -0.161 4.309 4.470 0.000 0.000 0.220 89 S C 1.255 175.857 174.600 0.002 0.000 1.035 89 S CA 1.403 59.593 58.200 -0.016 0.000 1.031 89 S CB 0.064 63.250 63.200 -0.023 0.000 0.928 89 S HN 0.279 nan 8.310 nan 0.000 0.433 90 D N 1.165 121.566 120.400 0.001 0.000 2.123 90 D HA -0.097 4.543 4.640 0.000 0.000 0.196 90 D C 1.707 178.012 176.300 0.009 0.000 0.992 90 D CA 1.203 55.207 54.000 0.006 0.000 0.833 90 D CB -0.677 40.125 40.800 0.004 0.000 0.954 90 D HN 0.438 nan 8.370 nan 0.000 0.455 91 D N 0.359 120.765 120.400 0.009 0.000 2.084 91 D HA -0.068 4.572 4.640 0.000 0.000 0.196 91 D C 2.468 178.777 176.300 0.016 0.000 0.985 91 D CA 0.392 54.398 54.000 0.010 0.000 0.826 91 D CB -0.420 40.389 40.800 0.015 0.000 0.978 91 D HN 0.195 nan 8.370 nan 0.000 0.456 92 L N 0.797 122.035 121.223 0.026 0.000 2.043 92 L HA -0.222 4.118 4.340 0.000 0.000 0.212 92 L C 2.551 179.444 176.870 0.038 0.000 1.075 92 L CA 1.408 56.272 54.840 0.040 0.000 0.752 92 L CB -0.503 41.580 42.059 0.040 0.000 0.891 92 L HN -0.020 nan 8.230 nan 0.000 0.432 93 A N -0.126 122.712 122.820 0.030 0.000 1.902 93 A HA -0.200 4.120 4.320 0.000 0.000 0.217 93 A C 2.202 179.801 177.584 0.025 0.000 1.181 93 A CA 1.703 53.758 52.037 0.030 0.000 0.623 93 A CB -0.644 18.372 19.000 0.027 0.000 0.818 93 A HN 0.333 nan 8.150 nan 0.000 0.443 94 L N -0.008 121.226 121.223 0.017 0.000 2.156 94 L HA -0.014 4.326 4.340 0.000 0.000 0.208 94 L C 2.101 178.976 176.870 0.009 0.000 1.095 94 L CA 1.452 56.298 54.840 0.011 0.000 0.770 94 L CB -0.522 41.539 42.059 0.003 0.000 0.914 94 L HN 0.428 nan 8.230 nan 0.000 0.439 95 I N -1.092 119.483 120.570 0.008 0.000 2.226 95 I HA -0.324 3.846 4.170 0.000 0.000 0.245 95 I C 2.495 178.643 176.117 0.052 0.000 1.100 95 I CA 1.389 62.694 61.300 0.009 0.000 1.374 95 I CB -0.361 37.643 38.000 0.007 0.000 1.057 95 I HN 0.292 nan 8.210 nan 0.000 0.413 96 L N 0.298 121.554 121.223 0.056 0.000 1.989 96 L HA -0.269 4.071 4.340 0.000 0.000 0.211 96 L C 2.674 179.569 176.870 0.041 0.000 1.071 96 L CA 1.870 56.745 54.840 0.058 0.000 0.749 96 L CB -0.413 41.671 42.059 0.042 0.000 0.890 96 L HN 0.245 nan 8.230 nan 0.000 0.431 97 T N -1.130 113.441 114.554 0.028 0.000 2.720 97 T HA -0.196 4.154 4.350 0.000 0.000 0.268 97 T C 1.689 176.405 174.700 0.028 0.000 1.037 97 T CA 1.964 64.076 62.100 0.021 0.000 1.144 97 T CB -0.296 68.585 68.868 0.022 0.000 0.864 97 T HN 0.477 nan 8.240 nan 0.000 0.444 98 T N 2.105 116.679 114.554 0.034 0.000 2.777 98 T HA -0.104 4.246 4.350 0.000 0.000 0.266 98 T C 2.027 176.763 174.700 0.059 0.000 1.040 98 T CA 1.505 63.627 62.100 0.037 0.000 1.141 98 T CB -0.221 68.657 68.868 0.017 0.000 0.868 98 T HN 0.760 nan 8.240 nan 0.000 0.444 99 E N 0.323 120.578 120.200 0.093 0.000 2.190 99 E HA -0.010 4.340 4.350 0.000 0.000 0.191 99 E C 2.297 178.937 176.600 0.066 0.000 0.978 99 E CA 0.430 56.905 56.400 0.125 0.000 0.839 99 E CB -0.075 29.761 29.700 0.228 0.000 0.787 99 E HN 0.236 nan 8.360 nan 0.000 0.473 100 Q N 0.160 119.991 119.800 0.051 0.000 2.287 100 Q HA 0.075 4.415 4.340 0.000 0.000 0.201 100 Q C 1.380 177.372 176.000 -0.014 0.000 0.946 100 Q CA 1.726 57.550 55.803 0.034 0.000 0.868 100 Q CB 1.031 29.799 28.738 0.050 0.000 0.967 100 Q HN 0.488 nan 8.270 nan 0.000 0.516 101 G N 1.351 110.140 108.800 -0.019 0.000 2.428 101 G HA2 -0.227 3.733 3.960 0.000 0.000 0.199 101 G HA3 -0.227 3.733 3.960 0.000 0.000 0.199 101 G C -0.014 174.867 174.900 -0.032 0.000 1.005 101 G CA 0.108 45.177 45.100 -0.051 0.000 0.671 101 G HN 0.394 nan 8.290 nan 0.000 0.485 102 K N 1.579 121.961 120.400 -0.029 0.000 2.469 102 K HA 0.389 4.709 4.320 0.000 0.000 0.274 102 K C -2.563 174.037 176.600 -0.001 0.000 0.983 102 K CA -0.804 55.467 56.287 -0.025 0.000 0.974 102 K CB 0.297 32.754 32.500 -0.073 0.000 0.913 102 K HN 0.103 nan 8.250 nan 0.000 0.493 103 P HA -0.139 nan 4.420 nan 0.000 0.265 103 P C 0.974 178.286 177.300 0.021 0.000 1.187 103 P CA -0.242 62.874 63.100 0.027 0.000 0.766 103 P CB 0.412 32.131 31.700 0.032 0.000 0.820 104 L N 3.405 124.643 121.223 0.025 0.000 2.089 104 L HA -0.300 4.040 4.340 0.000 0.000 0.213 104 L C 1.807 178.691 176.870 0.024 0.000 1.079 104 L CA 2.838 57.692 54.840 0.023 0.000 0.758 104 L CB -1.250 40.823 42.059 0.023 0.000 0.891 104 L HN 0.405 nan 8.230 nan 0.000 0.433 105 A N -1.030 121.805 122.820 0.025 0.000 2.014 105 A HA -0.183 4.137 4.320 0.000 0.000 0.218 105 A C 2.082 179.685 177.584 0.032 0.000 1.163 105 A CA 1.214 53.267 52.037 0.027 0.000 0.652 105 A CB -0.324 18.691 19.000 0.025 0.000 0.808 105 A HN 0.560 nan 8.150 nan 0.000 0.449 106 E N -0.302 119.915 120.200 0.028 0.000 2.072 106 E HA -0.059 4.291 4.350 0.000 0.000 0.190 106 E C 2.330 178.947 176.600 0.029 0.000 0.982 106 E CA 0.776 57.194 56.400 0.029 0.000 0.803 106 E CB -0.208 29.498 29.700 0.010 0.000 0.755 106 E HN 0.602 nan 8.360 nan 0.000 0.453 107 A N 1.651 124.482 122.820 0.017 0.000 1.933 107 A HA -0.209 4.111 4.320 0.000 0.000 0.218 107 A C 1.928 179.542 177.584 0.051 0.000 1.175 107 A CA 1.398 53.449 52.037 0.023 0.000 0.628 107 A CB -0.251 18.759 19.000 0.017 0.000 0.814 107 A HN 0.046 nan 8.150 nan 0.000 0.444 108 K N -0.778 119.650 120.400 0.046 0.000 2.217 108 K HA -0.038 4.282 4.320 0.000 0.000 0.202 108 K C 2.059 178.703 176.600 0.072 0.000 1.051 108 K CA 0.820 57.137 56.287 0.051 0.000 0.952 108 K CB -0.294 32.227 32.500 0.037 0.000 0.736 108 K HN 0.467 nan 8.250 nan 0.000 0.453 109 G N 1.458 110.305 108.800 0.078 0.000 2.402 109 G HA2 -0.290 3.670 3.960 0.000 0.000 0.216 109 G HA3 -0.290 3.670 3.960 0.000 0.000 0.216 109 G C 1.366 176.371 174.900 0.176 0.000 1.162 109 G CA 0.765 45.924 45.100 0.099 0.000 0.777 109 G HN 0.394 nan 8.290 nan 0.000 0.539 110 E N 0.132 120.453 120.200 0.202 0.000 2.051 110 E HA -0.131 4.219 4.350 0.000 0.000 0.192 110 E C 2.439 179.215 176.600 0.294 0.000 0.991 110 E CA 0.932 57.534 56.400 0.337 0.000 0.799 110 E CB -0.147 29.703 29.700 0.250 0.000 0.748 110 E HN 0.283 nan 8.360 nan 0.000 0.449 111 I N 1.455 122.127 120.570 0.170 0.000 2.226 111 I HA -0.226 3.944 4.170 0.000 0.000 0.245 111 I C 2.588 178.774 176.117 0.116 0.000 1.100 111 I CA 1.444 62.811 61.300 0.113 0.000 1.374 111 I CB -1.638 36.399 38.000 0.062 0.000 1.057 111 I HN 0.244 nan 8.210 nan 0.000 0.413 112 A N -0.207 122.692 122.820 0.131 0.000 1.972 112 A HA -0.258 4.062 4.320 0.000 0.000 0.219 112 A C 2.322 180.010 177.584 0.174 0.000 1.169 112 A CA 1.430 53.545 52.037 0.131 0.000 0.635 112 A CB -0.869 18.197 19.000 0.110 0.000 0.810 112 A HN 0.512 nan 8.150 nan 0.000 0.446 113 Y N 0.146 120.482 120.300 0.060 0.000 2.231 113 Y HA 0.196 4.746 4.550 0.000 0.000 0.294 113 Y C 2.563 178.529 175.900 0.111 0.000 1.120 113 Y CA 0.742 58.856 58.100 0.023 0.000 1.141 113 Y CB -0.719 37.779 38.460 0.063 0.000 1.022 113 Y HN 0.266 nan 8.280 nan 0.000 0.523 114 A N 1.268 124.142 122.820 0.089 0.000 1.865 114 A HA -0.192 4.128 4.320 0.000 0.000 0.217 114 A C 2.454 180.075 177.584 0.062 0.000 1.191 114 A CA 2.487 54.567 52.037 0.072 0.000 0.623 114 A CB -1.668 17.377 19.000 0.075 0.000 0.826 114 A HN 0.659 nan 8.150 nan 0.000 0.444 115 A N 0.113 122.970 122.820 0.062 0.000 1.978 115 A HA -0.134 4.186 4.320 0.000 0.000 0.220 115 A C 2.480 180.195 177.584 0.219 0.000 1.170 115 A CA 2.497 54.628 52.037 0.157 0.000 0.636 115 A CB -0.977 18.135 19.000 0.186 0.000 0.810 115 A HN 1.146 nan 8.150 nan 0.000 0.448 116 S N -1.499 114.243 115.700 0.070 0.000 2.453 116 S HA -0.065 4.405 4.470 0.000 0.000 0.231 116 S C 1.644 176.132 174.600 -0.187 0.000 1.005 116 S CA 1.131 59.274 58.200 -0.096 0.000 0.949 116 S CB -0.659 62.445 63.200 -0.161 0.000 0.774 116 S HN 0.355 nan 8.310 nan 0.000 0.510 117 F N 1.858 121.761 119.950 -0.078 0.000 2.163 117 F HA 0.239 4.766 4.527 0.000 0.000 0.297 117 F C 2.161 178.082 175.800 0.201 0.000 1.094 117 F CA 0.449 58.465 58.000 0.026 0.000 1.290 117 F CB -0.503 38.484 39.000 -0.021 0.000 1.017 117 F HN 0.172 nan 8.300 nan 0.000 0.483 118 I N -0.107 120.626 120.570 0.272 0.000 2.099 118 I HA -0.335 3.835 4.170 0.000 0.000 0.239 118 I C 2.535 178.722 176.117 0.116 0.000 1.066 118 I CA 1.888 63.321 61.300 0.220 0.000 1.324 118 I CB -0.674 37.374 38.000 0.080 0.000 1.037 118 I HN 0.165 nan 8.210 nan 0.000 0.401 119 E N 0.862 120.953 120.200 -0.182 0.000 2.070 119 E HA -0.299 4.051 4.350 0.000 0.000 0.197 119 E C 2.183 178.696 176.600 -0.146 0.000 1.004 119 E CA 1.879 58.026 56.400 -0.422 0.000 0.805 119 E CB -0.316 28.793 29.700 -0.985 0.000 0.744 119 E HN 0.622 nan 8.360 nan 0.000 0.451 120 W N 0.198 121.343 121.300 -0.258 0.000 2.335 120 W HA -0.259 4.401 4.660 0.000 0.000 0.311 120 W C 1.576 177.940 176.519 -0.258 0.000 1.213 120 W CA 1.234 58.396 57.345 -0.305 0.000 1.274 120 W CB -0.404 28.784 29.460 -0.454 0.000 1.148 120 W HN 0.141 nan 8.180 nan 0.000 0.498 121 F N 0.782 120.795 119.950 0.106 0.000 2.187 121 F HA 0.013 4.540 4.527 0.000 0.000 0.295 121 F C 2.805 178.587 175.800 -0.029 0.000 1.091 121 F CA 1.826 59.848 58.000 0.037 0.000 1.308 121 F CB -1.454 37.643 39.000 0.162 0.000 1.030 121 F HN -0.118 nan 8.300 nan 0.000 0.487 122 A N 0.380 123.307 122.820 0.179 0.000 1.929 122 A HA -0.316 4.004 4.320 0.000 0.000 0.221 122 A C 2.105 179.678 177.584 -0.019 0.000 1.211 122 A CA 2.485 54.577 52.037 0.090 0.000 0.657 122 A CB -0.948 18.095 19.000 0.072 0.000 0.827 122 A HN 0.521 nan 8.150 nan 0.000 0.462 123 E N -1.091 119.027 120.200 -0.137 0.000 2.107 123 E HA -0.121 4.230 4.350 0.000 0.000 0.191 123 E C 1.955 178.395 176.600 -0.266 0.000 0.982 123 E CA 0.813 57.075 56.400 -0.230 0.000 0.809 123 E CB -0.140 29.351 29.700 -0.348 0.000 0.756 123 E HN 0.595 nan 8.360 nan 0.000 0.459 124 E N 0.568 120.576 120.200 -0.320 0.000 2.152 124 E HA -0.092 4.258 4.350 0.000 0.000 0.192 124 E C 2.204 178.784 176.600 -0.034 0.000 0.983 124 E CA 0.705 56.974 56.400 -0.218 0.000 0.818 124 E CB -0.228 29.360 29.700 -0.188 0.000 0.758 124 E HN 0.328 nan 8.360 nan 0.000 0.467 125 G N 2.294 111.108 108.800 0.024 0.000 2.556 125 G HA2 -0.312 3.648 3.960 0.000 0.000 0.220 125 G HA3 -0.312 3.648 3.960 0.000 0.000 0.220 125 G C 1.384 176.283 174.900 -0.001 0.000 1.156 125 G CA 1.005 46.130 45.100 0.042 0.000 0.766 125 G HN 0.272 nan 8.290 nan 0.000 0.583 126 K N -0.118 120.259 120.400 -0.037 0.000 2.569 126 K HA 0.177 4.497 4.320 0.000 0.000 0.193 126 K C 1.811 178.380 176.600 -0.052 0.000 1.026 126 K CA 0.170 56.429 56.287 -0.047 0.000 1.093 126 K CB 0.237 32.701 32.500 -0.060 0.000 0.849 126 K HN 0.193 nan 8.250 nan 0.000 0.509 127 R N 0.116 120.586 120.500 -0.049 0.000 2.531 127 R HA 0.111 4.451 4.340 0.000 0.000 0.316 127 R C -0.395 175.893 176.300 -0.021 0.000 0.955 127 R CA -0.127 55.940 56.100 -0.054 0.000 1.120 127 R CB 1.068 31.308 30.300 -0.099 0.000 1.361 127 R HN -0.103 nan 8.270 nan 0.000 0.534 128 V N 2.541 122.462 119.914 0.012 0.000 2.479 128 V HA 0.015 4.135 4.120 0.000 0.000 0.284 128 V C 0.465 176.574 176.094 0.027 0.000 0.981 128 V CA 0.205 62.530 62.300 0.042 0.000 1.139 128 V CB 0.075 31.939 31.823 0.068 0.000 0.947 128 V HN 0.184 nan 8.190 nan 0.000 0.468 129 A N 4.905 127.739 122.820 0.022 0.000 2.312 129 A HA 0.847 5.167 4.320 0.000 0.000 0.326 129 A C 0.629 178.229 177.584 0.026 0.000 1.172 129 A CA 0.116 52.160 52.037 0.011 0.000 0.821 129 A CB 1.267 20.260 19.000 -0.011 0.000 1.166 129 A HN 0.879 nan 8.150 nan 0.000 0.493 130 G N 0.219 109.034 108.800 0.025 0.000 2.574 130 G HA2 0.565 4.525 3.960 0.000 0.000 0.248 130 G HA3 0.565 4.525 3.960 0.000 0.000 0.248 130 G C -1.068 173.850 174.900 0.030 0.000 1.422 130 G CA -0.350 44.771 45.100 0.035 0.000 1.051 130 G HN 0.675 nan 8.290 nan 0.000 0.560 131 D N -1.567 118.856 120.400 0.038 0.000 2.661 131 D HA 0.549 5.189 4.640 0.000 0.000 0.228 131 D C -0.624 175.699 176.300 0.039 0.000 1.183 131 D CA -0.315 53.706 54.000 0.035 0.000 0.844 131 D CB 2.211 43.034 40.800 0.039 0.000 1.555 131 D HN 0.530 nan 8.370 nan 0.000 0.453 132 T N -0.418 114.154 114.554 0.031 0.000 2.840 132 T HA 0.755 5.105 4.350 0.000 0.000 0.287 132 T C -0.841 173.877 174.700 0.030 0.000 0.991 132 T CA -0.686 61.434 62.100 0.034 0.000 0.964 132 T CB 0.351 69.233 68.868 0.024 0.000 0.954 132 T HN 0.203 nan 8.240 nan 0.000 0.438 133 L N 3.285 124.531 121.223 0.038 0.000 2.301 133 L HA 0.651 4.991 4.340 0.000 0.000 0.264 133 L C -2.295 174.592 176.870 0.028 0.000 1.016 133 L CA -2.670 52.188 54.840 0.029 0.000 0.821 133 L CB 1.996 44.070 42.059 0.026 0.000 1.346 133 L HN 0.465 nan 8.230 nan 0.000 0.429 134 P HA 0.073 nan 4.420 nan 0.000 0.268 134 P C -0.224 177.088 177.300 0.020 0.000 1.485 134 P CA -0.310 62.800 63.100 0.017 0.000 1.102 134 P CB 0.166 31.873 31.700 0.011 0.000 1.501 135 T N 3.716 118.287 114.554 0.029 0.000 2.939 135 T HA 0.033 4.383 4.350 0.000 0.000 0.312 135 T C -0.892 173.822 174.700 0.023 0.000 1.064 135 T CA -0.785 61.336 62.100 0.035 0.000 1.136 135 T CB -0.003 68.891 68.868 0.044 0.000 1.035 135 T HN 0.266 nan 8.240 nan 0.000 0.538 136 P HA 0.280 nan 4.420 nan 0.000 0.255 136 P C -0.453 176.857 177.300 0.017 0.000 1.248 136 P CA 0.232 63.341 63.100 0.015 0.000 0.807 136 P CB 0.228 31.935 31.700 0.011 0.000 1.150 137 D N -0.018 120.396 120.400 0.023 0.000 2.602 137 D HA 0.484 5.124 4.640 0.000 0.000 0.245 137 D C -0.564 175.749 176.300 0.021 0.000 1.325 137 D CA -0.545 53.468 54.000 0.022 0.000 0.952 137 D CB 1.299 42.116 40.800 0.028 0.000 1.317 137 D HN 0.022 nan 8.370 nan 0.000 0.577 138 A N 3.758 126.587 122.820 0.016 0.000 2.507 138 A HA 0.370 4.690 4.320 0.000 0.000 0.235 138 A C 0.973 178.565 177.584 0.013 0.000 1.070 138 A CA 0.518 52.563 52.037 0.013 0.000 0.768 138 A CB 0.065 19.071 19.000 0.010 0.000 1.011 138 A HN 0.925 nan 8.150 nan 0.000 0.502 139 N N -1.683 117.024 118.700 0.011 0.000 2.599 139 N HA -0.140 4.600 4.740 0.000 0.000 0.195 139 N C -0.427 175.089 175.510 0.010 0.000 1.424 139 N CA 2.104 55.159 53.050 0.009 0.000 2.559 139 N CB -1.059 37.433 38.487 0.009 0.000 0.894 139 N HN 0.758 nan 8.380 nan 0.000 0.496 140 K N 0.610 121.021 120.400 0.017 0.000 2.207 140 K HA 0.607 4.927 4.320 0.000 0.000 0.255 140 K C -0.857 175.760 176.600 0.029 0.000 0.941 140 K CA -0.709 55.591 56.287 0.022 0.000 0.825 140 K CB 1.617 34.137 32.500 0.034 0.000 1.119 140 K HN -0.072 nan 8.250 nan 0.000 0.430 141 R N 1.861 122.375 120.500 0.023 0.000 2.562 141 R HA 0.490 4.830 4.340 0.000 0.000 0.298 141 R C -0.720 175.607 176.300 0.046 0.000 0.961 141 R CA -0.799 55.318 56.100 0.029 0.000 0.881 141 R CB 0.788 31.096 30.300 0.014 0.000 1.159 141 R HN 0.569 nan 8.270 nan 0.000 0.450 142 I N 2.763 123.381 120.570 0.079 0.000 2.312 142 I HA 0.340 4.510 4.170 0.000 0.000 0.290 142 I C -0.473 175.706 176.117 0.103 0.000 1.008 142 I CA -0.793 60.593 61.300 0.144 0.000 1.226 142 I CB 1.484 39.605 38.000 0.203 0.000 1.371 142 I HN 0.042 nan 8.210 nan 0.000 0.468 143 V N 7.299 127.263 119.914 0.083 0.000 2.444 143 V HA 0.381 4.501 4.120 0.000 0.000 0.294 143 V C -0.090 176.067 176.094 0.105 0.000 1.022 143 V CA -0.736 61.603 62.300 0.065 0.000 0.850 143 V CB 1.968 33.802 31.823 0.018 0.000 0.992 143 V HN 0.365 nan 8.190 nan 0.000 0.426 144 V N 6.130 126.112 119.914 0.114 0.000 2.370 144 V HA 0.615 4.735 4.120 0.000 0.000 0.283 144 V C 0.014 176.155 176.094 0.078 0.000 1.023 144 V CA -0.367 62.008 62.300 0.126 0.000 0.857 144 V CB 1.775 33.671 31.823 0.122 0.000 0.985 144 V HN 0.774 nan 8.190 nan 0.000 0.443 145 V N 2.959 122.916 119.914 0.072 0.000 3.113 145 V HA 0.775 4.895 4.120 0.000 0.000 0.316 145 V C -0.667 175.466 176.094 0.065 0.000 1.125 145 V CA -1.107 61.225 62.300 0.054 0.000 1.026 145 V CB 2.242 34.087 31.823 0.036 0.000 1.080 145 V HN 0.750 nan 8.190 nan 0.000 0.444 146 K N 1.016 121.453 120.400 0.063 0.000 2.375 146 K HA 0.719 5.039 4.320 0.000 0.000 0.249 146 K C -1.059 175.591 176.600 0.082 0.000 0.942 146 K CA -0.581 55.753 56.287 0.078 0.000 0.806 146 K CB 2.364 34.913 32.500 0.082 0.000 1.227 146 K HN 1.039 nan 8.250 nan 0.000 0.430 147 E N 1.230 121.494 120.200 0.106 0.000 2.433 147 E HA 0.434 4.784 4.350 0.000 0.000 0.278 147 E C -2.956 173.755 176.600 0.185 0.000 0.976 147 E CA -2.476 54.002 56.400 0.129 0.000 0.793 147 E CB 1.914 31.681 29.700 0.113 0.000 1.311 147 E HN 0.139 nan 8.360 nan 0.000 0.460 148 P HA 0.038 nan 4.420 nan 0.000 0.267 148 P C 0.560 178.056 177.300 0.327 0.000 1.205 148 P CA -0.021 63.270 63.100 0.319 0.000 0.765 148 P CB 1.022 33.015 31.700 0.488 0.000 0.828 149 I N 1.999 122.663 120.570 0.157 0.000 2.208 149 I HA -0.126 4.045 4.170 0.000 0.000 0.245 149 I C 1.078 177.124 176.117 -0.119 0.000 1.097 149 I CA 2.395 63.725 61.300 0.051 0.000 1.363 149 I CB -0.408 37.587 38.000 -0.009 0.000 1.051 149 I HN 0.744 nan 8.210 nan 0.000 0.413 150 G N -1.159 107.342 108.800 -0.498 0.000 2.278 150 G HA2 -0.047 3.913 3.960 0.000 0.000 0.265 150 G HA3 -0.047 3.913 3.960 0.000 0.000 0.265 150 G C -1.044 173.291 174.900 -0.942 0.000 1.329 150 G CA -0.322 44.009 45.100 -1.282 0.000 1.017 150 G HN -0.024 nan 8.290 nan 0.000 0.472 151 V N 0.602 120.094 119.914 -0.703 0.000 2.479 151 V HA 0.354 4.474 4.120 0.000 0.000 0.281 151 V C 0.777 176.728 176.094 -0.238 0.000 1.031 151 V CA -0.047 62.013 62.300 -0.400 0.000 1.038 151 V CB 0.070 31.745 31.823 -0.247 0.000 0.981 151 V HN 0.825 nan 8.190 nan 0.000 0.478 152 C N 4.637 123.834 119.300 -0.172 0.000 2.358 152 C HA 0.933 5.393 4.460 0.000 0.000 0.354 152 C C 0.625 175.585 174.990 -0.050 0.000 1.183 152 C CA -0.493 58.482 59.018 -0.072 0.000 2.150 152 C CB 1.077 28.835 27.740 0.030 0.000 2.361 152 C HN 1.013 nan 8.230 nan 0.000 0.535 153 A N 0.901 123.711 122.820 -0.016 0.000 2.515 153 A HA 0.974 5.294 4.320 0.000 0.000 0.296 153 A C -1.101 176.505 177.584 0.036 0.000 1.094 153 A CA -0.328 51.707 52.037 -0.003 0.000 0.718 153 A CB 1.306 20.298 19.000 -0.015 0.000 1.307 153 A HN 1.659 nan 8.150 nan 0.000 0.408 154 A N 1.074 123.922 122.820 0.046 0.000 2.465 154 A HA 0.667 4.987 4.320 0.000 0.000 0.292 154 A C -1.236 176.401 177.584 0.088 0.000 1.041 154 A CA -0.208 51.873 52.037 0.074 0.000 0.718 154 A CB 0.610 19.646 19.000 0.061 0.000 1.266 154 A HN 0.750 nan 8.150 nan 0.000 0.403 155 I N 2.846 123.504 120.570 0.147 0.000 2.362 155 I HA 0.485 4.655 4.170 0.000 0.000 0.289 155 I C 0.425 176.626 176.117 0.140 0.000 0.994 155 I CA -0.367 61.047 61.300 0.190 0.000 1.158 155 I CB 2.277 40.462 38.000 0.309 0.000 1.315 155 I HN 0.745 nan 8.210 nan 0.000 0.451 156 T N 3.844 118.442 114.554 0.074 0.000 2.940 156 T HA 0.683 5.033 4.350 0.000 0.000 0.288 156 T C -2.631 172.057 174.700 -0.019 0.000 1.033 156 T CA -1.970 60.125 62.100 -0.009 0.000 1.033 156 T CB 2.174 71.051 68.868 0.015 0.000 1.079 156 T HN 0.256 nan 8.240 nan 0.000 0.496 157 P HA 0.307 nan 4.420 nan 0.000 0.301 157 P C 0.626 177.901 177.300 -0.042 0.000 1.309 157 P CA -0.868 62.128 63.100 -0.173 0.000 0.782 157 P CB 1.055 32.541 31.700 -0.357 0.000 1.282 158 W N 0.300 121.641 121.300 0.067 0.000 2.942 158 W HA 0.035 4.695 4.660 0.000 0.000 0.263 158 W C 1.031 177.590 176.519 0.067 0.000 1.296 158 W CA 0.164 57.545 57.345 0.059 0.000 1.504 158 W CB -1.463 28.021 29.460 0.040 0.000 1.096 158 W HN 0.210 nan 8.180 nan 0.000 0.639 159 N N 1.612 120.301 118.700 -0.018 0.000 2.216 159 N HA -0.168 4.572 4.740 0.000 0.000 0.183 159 N C -0.031 175.487 175.510 0.014 0.000 1.017 159 N CA 0.815 53.927 53.050 0.103 0.000 0.861 159 N CB -1.033 37.434 38.487 -0.034 0.000 0.986 159 N HN 0.092 nan 8.380 nan 0.000 0.428 160 F N 0.735 120.700 119.950 0.024 0.000 2.531 160 F HA 0.400 4.927 4.527 0.000 0.000 0.333 160 F C -1.828 174.004 175.800 0.052 0.000 1.292 160 F CA -2.055 55.978 58.000 0.054 0.000 1.184 160 F CB 1.979 41.004 39.000 0.042 0.000 1.426 160 F HN -0.103 nan 8.300 nan 0.000 0.559 161 P HA -0.068 nan 4.420 nan 0.000 0.230 161 P C 1.076 178.453 177.300 0.128 0.000 1.158 161 P CA 0.908 64.089 63.100 0.135 0.000 0.769 161 P CB 0.403 32.182 31.700 0.131 0.000 0.807 162 A N -0.062 122.841 122.820 0.139 0.000 1.938 162 A HA 0.409 4.729 4.320 0.000 0.000 0.207 162 A C 2.257 179.903 177.584 0.104 0.000 1.292 162 A CA 0.895 53.005 52.037 0.122 0.000 0.700 162 A CB -1.205 17.865 19.000 0.116 0.000 0.947 162 A HN 0.107 nan 8.150 nan 0.000 0.476 163 A N -0.624 122.293 122.820 0.161 0.000 1.969 163 A HA -0.070 4.251 4.320 0.000 0.000 0.218 163 A C 2.114 179.638 177.584 -0.100 0.000 1.169 163 A CA 1.892 53.966 52.037 0.062 0.000 0.635 163 A CB -0.516 18.602 19.000 0.198 0.000 0.810 163 A HN 0.385 nan 8.150 nan 0.000 0.445 164 M N -0.754 118.833 119.600 -0.021 0.000 2.117 164 M HA -0.103 4.377 4.480 0.000 0.000 0.262 164 M C 2.049 178.296 176.300 -0.089 0.000 1.065 164 M CA 1.286 56.528 55.300 -0.096 0.000 1.114 164 M CB -1.330 31.252 32.600 -0.030 0.000 1.361 164 M HN 0.353 nan 8.290 nan 0.000 0.408 165 I N 0.575 121.140 120.570 -0.008 0.000 2.127 165 I HA -0.239 3.931 4.170 0.000 0.000 0.241 165 I C 2.591 178.720 176.117 0.021 0.000 1.075 165 I CA 1.754 63.077 61.300 0.038 0.000 1.334 165 I CB -0.908 37.159 38.000 0.112 0.000 1.040 165 I HN 0.249 nan 8.210 nan 0.000 0.405 166 A N -0.064 122.750 122.820 -0.011 0.000 1.940 166 A HA -0.241 4.079 4.320 0.000 0.000 0.219 166 A C 2.440 179.940 177.584 -0.140 0.000 1.176 166 A CA 1.748 53.768 52.037 -0.029 0.000 0.631 166 A CB -0.669 18.302 19.000 -0.048 0.000 0.814 166 A HN 0.344 nan 8.150 nan 0.000 0.446 167 R N -0.733 119.532 120.500 -0.391 0.000 2.152 167 R HA -0.074 4.266 4.340 0.000 0.000 0.232 167 R C 1.912 178.003 176.300 -0.348 0.000 1.117 167 R CA 1.593 57.321 56.100 -0.620 0.000 0.981 167 R CB -0.066 29.758 30.300 -0.793 0.000 0.870 167 R HN 0.552 nan 8.270 nan 0.000 0.451 168 K N -0.836 119.430 120.400 -0.224 0.000 2.216 168 K HA 0.080 4.400 4.320 0.000 0.000 0.207 168 K C 1.960 178.417 176.600 -0.239 0.000 1.041 168 K CA 0.462 56.655 56.287 -0.156 0.000 0.966 168 K CB 0.040 32.520 32.500 -0.034 0.000 0.955 168 K HN -0.111 nan 8.250 nan 0.000 0.468 169 V N 1.921 121.774 119.914 -0.102 0.000 2.282 169 V HA -0.250 3.870 4.120 0.000 0.000 0.249 169 V C 2.376 178.411 176.094 -0.099 0.000 1.057 169 V CA 2.318 64.580 62.300 -0.063 0.000 1.032 169 V CB -1.337 30.548 31.823 0.103 0.000 0.645 169 V HN 0.554 nan 8.190 nan 0.000 0.447 170 G N 1.504 110.287 108.800 -0.028 0.000 2.672 170 G HA2 -0.276 3.685 3.960 0.000 0.000 0.218 170 G HA3 -0.276 3.685 3.960 0.000 0.000 0.218 170 G C 0.113 174.813 174.900 -0.332 0.000 1.238 170 G CA 1.527 46.623 45.100 -0.006 0.000 0.791 170 G HN 0.579 nan 8.290 nan 0.000 0.606 171 P HA 0.026 nan 4.420 nan 0.000 0.221 171 P C 1.899 178.708 177.300 -0.819 0.000 1.150 171 P CA 1.782 64.198 63.100 -1.140 0.000 0.800 171 P CB -0.090 30.664 31.700 -1.577 0.000 0.787 172 A N 0.227 122.503 122.820 -0.907 0.000 1.841 172 A HA -0.142 4.178 4.320 0.000 0.000 0.214 172 A C 2.203 179.718 177.584 -0.115 0.000 1.195 172 A CA 1.474 53.190 52.037 -0.535 0.000 0.611 172 A CB -1.572 17.216 19.000 -0.352 0.000 0.835 172 A HN 0.061 nan 8.150 nan 0.000 0.443 173 L N -0.187 121.008 121.223 -0.046 0.000 2.017 173 L HA -0.125 4.215 4.340 0.000 0.000 0.208 173 L C 3.010 180.118 176.870 0.396 0.000 1.073 173 L CA 2.018 56.998 54.840 0.235 0.000 0.745 173 L CB -1.010 41.132 42.059 0.139 0.000 0.894 173 L HN 0.400 nan 8.230 nan 0.000 0.432 174 A N -0.851 122.088 122.820 0.198 0.000 1.978 174 A HA -0.140 4.180 4.320 0.000 0.000 0.220 174 A C 2.422 180.087 177.584 0.136 0.000 1.170 174 A CA 1.731 53.871 52.037 0.172 0.000 0.636 174 A CB -0.795 18.311 19.000 0.177 0.000 0.810 174 A HN 0.399 nan 8.150 nan 0.000 0.448 175 A N -2.089 120.803 122.820 0.120 0.000 2.016 175 A HA 0.391 4.711 4.320 0.000 0.000 0.217 175 A C 1.762 179.459 177.584 0.188 0.000 1.162 175 A CA 1.530 53.655 52.037 0.146 0.000 0.662 175 A CB -0.534 18.564 19.000 0.164 0.000 0.812 175 A HN 1.842 nan 8.150 nan 0.000 0.450 176 G N -2.609 106.352 108.800 0.269 0.000 2.147 176 G HA2 -0.102 3.858 3.960 0.000 0.000 0.128 176 G HA3 -0.102 3.858 3.960 0.000 0.000 0.128 176 G C -0.158 175.092 174.900 0.584 0.000 1.026 176 G CA -0.259 45.051 45.100 0.350 0.000 0.693 176 G HN 0.635 nan 8.290 nan 0.000 0.499 177 C N 1.369 120.921 119.300 0.419 0.000 2.454 177 C HA 0.884 5.344 4.460 0.000 0.000 0.336 177 C C -1.585 173.411 174.990 0.010 0.000 1.189 177 C CA -1.476 57.629 59.018 0.145 0.000 1.877 177 C CB 2.098 29.832 27.740 -0.010 0.000 2.348 177 C HN 0.389 nan 8.230 nan 0.000 0.508 178 P HA 0.642 nan 4.420 nan 0.000 0.279 178 P C -1.109 176.070 177.300 -0.201 0.000 1.276 178 P CA -0.336 62.618 63.100 -0.243 0.000 0.801 178 P CB 1.286 32.879 31.700 -0.180 0.000 1.127 179 I N -0.986 119.469 120.570 -0.192 0.000 2.722 179 I HA 0.263 4.433 4.170 0.000 0.000 0.292 179 I C -1.526 174.527 176.117 -0.107 0.000 1.267 179 I CA -1.060 60.163 61.300 -0.127 0.000 1.036 179 I CB 2.193 40.130 38.000 -0.106 0.000 1.281 179 I HN -0.069 nan 8.210 nan 0.000 0.423 180 V N 7.197 127.068 119.914 -0.072 0.000 2.435 180 V HA 0.509 4.629 4.120 0.000 0.000 0.290 180 V C -0.407 175.677 176.094 -0.018 0.000 1.030 180 V CA -0.546 61.723 62.300 -0.052 0.000 0.881 180 V CB 1.675 33.468 31.823 -0.050 0.000 0.983 180 V HN 0.420 nan 8.190 nan 0.000 0.445 181 V N 4.790 124.703 119.914 -0.002 0.000 2.495 181 V HA 0.518 4.638 4.120 0.000 0.000 0.298 181 V C -0.020 176.098 176.094 0.041 0.000 1.031 181 V CA -0.858 61.459 62.300 0.028 0.000 0.871 181 V CB 1.881 33.727 31.823 0.039 0.000 0.988 181 V HN 0.805 nan 8.190 nan 0.000 0.432 182 K N 7.211 127.644 120.400 0.055 0.000 2.473 182 K HA 0.431 4.751 4.320 0.000 0.000 0.246 182 K C -2.737 173.914 176.600 0.086 0.000 1.011 182 K CA -1.683 54.645 56.287 0.068 0.000 0.984 182 K CB 2.170 34.707 32.500 0.063 0.000 1.250 182 K HN 0.424 nan 8.250 nan 0.000 0.454 183 P HA 0.127 nan 4.420 nan 0.000 0.277 183 P C -0.568 176.797 177.300 0.110 0.000 1.276 183 P CA -0.463 62.693 63.100 0.094 0.000 0.788 183 P CB 0.618 32.370 31.700 0.088 0.000 1.114 184 A N -0.233 122.665 122.820 0.130 0.000 2.425 184 A HA 0.410 4.730 4.320 0.000 0.000 0.249 184 A C 1.741 179.408 177.584 0.139 0.000 1.084 184 A CA 0.363 52.501 52.037 0.169 0.000 0.781 184 A CB -0.847 18.321 19.000 0.279 0.000 1.019 184 A HN 0.624 nan 8.150 nan 0.000 0.490 185 E N 1.399 121.669 120.200 0.116 0.000 2.130 185 E HA -0.176 4.174 4.350 0.000 0.000 0.196 185 E C 2.032 178.692 176.600 0.100 0.000 0.998 185 E CA 2.226 58.684 56.400 0.097 0.000 0.806 185 E CB -0.733 28.888 29.700 -0.131 0.000 0.738 185 E HN 0.722 nan 8.360 nan 0.000 0.459 186 S N -0.237 115.498 115.700 0.059 0.000 2.461 186 S HA 0.006 4.476 4.470 0.000 0.000 0.228 186 S C 1.325 175.945 174.600 0.033 0.000 1.005 186 S CA 1.177 59.387 58.200 0.016 0.000 0.942 186 S CB 0.154 63.289 63.200 -0.108 0.000 0.776 186 S HN 0.792 nan 8.310 nan 0.000 0.514 187 T N -0.746 113.852 114.554 0.074 0.000 3.585 187 T HA 0.364 4.714 4.350 0.000 0.000 0.252 187 T C -2.595 172.104 174.700 -0.002 0.000 1.382 187 T CA -1.267 60.869 62.100 0.059 0.000 1.584 187 T CB 1.123 70.083 68.868 0.154 0.000 0.892 187 T HN -0.006 nan 8.240 nan 0.000 0.671 188 P HA 0.150 nan 4.420 nan 0.000 0.224 188 P C 1.028 178.255 177.300 -0.122 0.000 1.157 188 P CA 0.180 63.171 63.100 -0.182 0.000 0.799 188 P CB -0.134 31.363 31.700 -0.338 0.000 0.809 189 F N 0.398 120.359 119.950 0.019 0.000 2.186 189 F HA -0.073 4.454 4.527 0.000 0.000 0.299 189 F C 2.394 178.211 175.800 0.029 0.000 1.090 189 F CA 1.189 59.178 58.000 -0.018 0.000 1.307 189 F CB -1.598 37.360 39.000 -0.071 0.000 1.019 189 F HN -0.113 nan 8.300 nan 0.000 0.489 190 S N -0.268 115.566 115.700 0.223 0.000 2.453 190 S HA -0.029 4.441 4.470 0.000 0.000 0.231 190 S C 2.301 177.003 174.600 0.170 0.000 1.005 190 S CA 0.736 59.040 58.200 0.172 0.000 0.949 190 S CB -0.462 62.822 63.200 0.140 0.000 0.774 190 S HN 0.337 nan 8.310 nan 0.000 0.510 191 A N 1.640 124.557 122.820 0.161 0.000 1.872 191 A HA 0.060 4.380 4.320 0.000 0.000 0.214 191 A C 2.030 179.737 177.584 0.205 0.000 1.187 191 A CA 0.977 53.114 52.037 0.166 0.000 0.614 191 A CB -0.672 18.406 19.000 0.130 0.000 0.826 191 A HN 0.443 nan 8.150 nan 0.000 0.442 192 L N -0.542 120.816 121.223 0.225 0.000 2.083 192 L HA -0.187 4.153 4.340 0.000 0.000 0.209 192 L C 3.055 180.131 176.870 0.344 0.000 1.083 192 L CA 1.015 56.047 54.840 0.321 0.000 0.752 192 L CB -0.584 41.677 42.059 0.337 0.000 0.899 192 L HN 0.424 nan 8.230 nan 0.000 0.433 193 A N -0.139 122.836 122.820 0.257 0.000 1.940 193 A HA -0.220 4.100 4.320 0.000 0.000 0.219 193 A C 2.347 180.123 177.584 0.319 0.000 1.176 193 A CA 1.641 53.833 52.037 0.257 0.000 0.631 193 A CB -0.373 18.734 19.000 0.179 0.000 0.814 193 A HN 0.293 nan 8.150 nan 0.000 0.446 194 M N -0.443 119.344 119.600 0.312 0.000 2.159 194 M HA -0.114 4.366 4.480 0.000 0.000 0.263 194 M C 2.503 179.047 176.300 0.407 0.000 1.063 194 M CA 1.558 57.129 55.300 0.451 0.000 1.110 194 M CB -1.538 31.337 32.600 0.457 0.000 1.374 194 M HN 0.494 nan 8.290 nan 0.000 0.411 195 A N 0.217 123.164 122.820 0.210 0.000 1.858 195 A HA -0.196 4.124 4.320 0.000 0.000 0.216 195 A C 2.078 179.625 177.584 -0.062 0.000 1.190 195 A CA 1.397 53.372 52.037 -0.103 0.000 0.617 195 A CB -1.180 17.670 19.000 -0.250 0.000 0.827 195 A HN 0.401 nan 8.150 nan 0.000 0.443 196 F N 0.640 120.674 119.950 0.140 0.000 2.154 196 F HA -0.168 4.360 4.527 0.000 0.000 0.301 196 F C 1.814 177.680 175.800 0.111 0.000 1.087 196 F CA 1.692 59.817 58.000 0.209 0.000 1.274 196 F CB -0.345 38.732 39.000 0.128 0.000 1.009 196 F HN 0.134 nan 8.300 nan 0.000 0.485 197 L N -0.806 120.472 121.223 0.091 0.000 2.240 197 L HA -0.008 4.332 4.340 0.000 0.000 0.211 197 L C 2.658 179.559 176.870 0.051 0.000 1.106 197 L CA 0.761 55.642 54.840 0.068 0.000 0.793 197 L CB -1.006 41.224 42.059 0.285 0.000 0.927 197 L HN 0.150 nan 8.230 nan 0.000 0.446 198 A N 0.080 122.794 122.820 -0.178 0.000 1.933 198 A HA -0.244 4.076 4.320 0.000 0.000 0.218 198 A C 2.240 179.625 177.584 -0.332 0.000 1.175 198 A CA 1.756 53.395 52.037 -0.664 0.000 0.628 198 A CB -0.393 18.051 19.000 -0.927 0.000 0.814 198 A HN 0.446 nan 8.150 nan 0.000 0.444 199 E N -0.263 119.795 120.200 -0.238 0.000 2.023 199 E HA -0.218 4.132 4.350 0.000 0.000 0.196 199 E C 2.291 178.832 176.600 -0.098 0.000 1.003 199 E CA 1.283 57.620 56.400 -0.105 0.000 0.809 199 E CB -0.142 29.559 29.700 0.002 0.000 0.755 199 E HN 0.526 nan 8.360 nan 0.000 0.449 200 R N -0.287 120.105 120.500 -0.181 0.000 2.127 200 R HA -0.133 4.207 4.340 0.000 0.000 0.238 200 R C 2.306 178.579 176.300 -0.045 0.000 1.134 200 R CA 0.941 56.953 56.100 -0.145 0.000 0.975 200 R CB -0.277 29.881 30.300 -0.237 0.000 0.865 200 R HN 0.217 nan 8.270 nan 0.000 0.447 201 A N -0.120 122.690 122.820 -0.017 0.000 1.972 201 A HA -0.000 4.320 4.320 0.000 0.000 0.219 201 A C 1.468 179.079 177.584 0.045 0.000 1.169 201 A CA 1.554 53.623 52.037 0.053 0.000 0.635 201 A CB -0.219 18.842 19.000 0.102 0.000 0.810 201 A HN 0.489 nan 8.150 nan 0.000 0.446 202 G N -2.100 106.707 108.800 0.011 0.000 2.151 202 G HA2 -0.081 3.879 3.960 0.000 0.000 0.156 202 G HA3 -0.081 3.879 3.960 0.000 0.000 0.156 202 G C -0.068 174.869 174.900 0.062 0.000 1.017 202 G CA -0.139 44.987 45.100 0.043 0.000 0.686 202 G HN 0.772 nan 8.290 nan 0.000 0.503 203 V N 1.922 121.821 119.914 -0.025 0.000 2.439 203 V HA 0.307 4.427 4.120 0.000 0.000 0.271 203 V C -1.174 174.877 176.094 -0.072 0.000 1.040 203 V CA -0.960 61.284 62.300 -0.093 0.000 1.002 203 V CB 0.878 32.504 31.823 -0.328 0.000 1.000 203 V HN 0.232 nan 8.190 nan 0.000 0.477 204 P HA 0.215 nan 4.420 nan 0.000 0.268 204 P C 0.112 177.372 177.300 -0.067 0.000 1.204 204 P CA 0.005 63.114 63.100 0.015 0.000 0.768 204 P CB 0.254 32.027 31.700 0.122 0.000 0.842 205 K N 2.068 122.441 120.400 -0.046 0.000 2.530 205 K HA 0.331 4.651 4.320 0.000 0.000 0.280 205 K C 1.468 177.986 176.600 -0.137 0.000 1.004 205 K CA 0.485 56.704 56.287 -0.113 0.000 1.071 205 K CB -1.321 31.117 32.500 -0.103 0.000 0.876 205 K HN 0.917 nan 8.250 nan 0.000 0.487 206 G N -0.037 108.639 108.800 -0.207 0.000 2.399 206 G HA2 -0.307 3.654 3.960 0.000 0.000 0.216 206 G HA3 -0.307 3.654 3.960 0.000 0.000 0.216 206 G C 1.489 176.271 174.900 -0.197 0.000 1.096 206 G CA 0.682 45.677 45.100 -0.175 0.000 0.650 206 G HN 1.251 nan 8.290 nan 0.000 0.512 207 V N 0.750 120.511 119.914 -0.255 0.000 2.594 207 V HA 0.237 4.357 4.120 0.000 0.000 0.253 207 V C 1.103 176.964 176.094 -0.388 0.000 1.069 207 V CA 2.066 64.112 62.300 -0.423 0.000 1.082 207 V CB -0.184 31.145 31.823 -0.823 0.000 0.680 207 V HN 0.678 nan 8.190 nan 0.000 0.469 208 L N -0.629 120.425 121.223 -0.282 0.000 2.409 208 L HA 0.665 5.005 4.340 0.000 0.000 0.272 208 L C -0.615 176.199 176.870 -0.093 0.000 0.980 208 L CA 0.241 54.968 54.840 -0.190 0.000 0.826 208 L CB 2.172 44.102 42.059 -0.214 0.000 1.268 208 L HN -0.051 nan 8.230 nan 0.000 0.407 209 S N 2.984 118.633 115.700 -0.085 0.000 2.542 209 S HA 0.848 5.319 4.470 0.000 0.000 0.293 209 S C -1.275 173.327 174.600 0.004 0.000 1.089 209 S CA -0.587 57.572 58.200 -0.069 0.000 0.961 209 S CB 2.219 65.336 63.200 -0.138 0.000 1.062 209 S HN 0.404 nan 8.310 nan 0.000 0.483 210 V N 2.903 122.843 119.914 0.044 0.000 2.443 210 V HA 0.482 4.602 4.120 0.000 0.000 0.293 210 V C -0.695 175.425 176.094 0.043 0.000 1.021 210 V CA -0.604 61.730 62.300 0.057 0.000 0.848 210 V CB 1.648 33.530 31.823 0.098 0.000 0.998 210 V HN 0.689 nan 8.190 nan 0.000 0.424 211 V N 6.501 126.436 119.914 0.036 0.000 2.435 211 V HA 0.591 4.711 4.120 0.000 0.000 0.290 211 V C -0.382 175.747 176.094 0.058 0.000 1.030 211 V CA -0.514 61.806 62.300 0.033 0.000 0.881 211 V CB 1.768 33.601 31.823 0.017 0.000 0.983 211 V HN 0.670 nan 8.190 nan 0.000 0.445 212 I N 3.154 123.762 120.570 0.064 0.000 2.569 212 I HA 0.957 5.127 4.170 0.000 0.000 0.296 212 I C 0.570 176.764 176.117 0.128 0.000 1.028 212 I CA 0.408 61.763 61.300 0.091 0.000 1.082 212 I CB 1.955 39.978 38.000 0.039 0.000 1.264 212 I HN 0.916 nan 8.210 nan 0.000 0.429 213 G N 3.487 112.428 108.800 0.234 0.000 2.356 213 G HA2 0.104 4.064 3.960 0.000 0.000 0.266 213 G HA3 0.104 4.064 3.960 0.000 0.000 0.266 213 G C -1.632 173.380 174.900 0.187 0.000 1.312 213 G CA -0.944 44.323 45.100 0.279 0.000 0.922 213 G HN 0.591 nan 8.290 nan 0.000 0.480 214 D N 0.947 121.413 120.400 0.109 0.000 2.434 214 D HA 0.374 5.014 4.640 0.000 0.000 0.252 214 D C -0.802 175.510 176.300 0.020 0.000 1.185 214 D CA -1.253 52.764 54.000 0.027 0.000 0.886 214 D CB 1.476 42.290 40.800 0.024 0.000 1.148 214 D HN 0.016 nan 8.370 nan 0.000 0.483 215 P HA -0.086 nan 4.420 nan 0.000 0.219 215 P C 1.171 178.470 177.300 -0.002 0.000 1.150 215 P CA 1.800 64.906 63.100 0.010 0.000 0.814 215 P CB 0.031 31.736 31.700 0.010 0.000 0.787 216 K N 0.262 120.655 120.400 -0.011 0.000 2.025 216 K HA 0.034 4.354 4.320 0.000 0.000 0.207 216 K C 2.264 178.856 176.600 -0.014 0.000 1.049 216 K CA 1.783 58.059 56.287 -0.018 0.000 0.933 216 K CB -1.743 30.746 32.500 -0.019 0.000 0.714 216 K HN 0.184 nan 8.250 nan 0.000 0.438 217 A N 0.654 123.472 122.820 -0.005 0.000 1.929 217 A HA 0.132 4.452 4.320 0.000 0.000 0.216 217 A C 2.427 180.010 177.584 -0.001 0.000 1.176 217 A CA 1.347 53.383 52.037 -0.002 0.000 0.628 217 A CB -0.248 18.756 19.000 0.007 0.000 0.816 217 A HN 0.470 nan 8.150 nan 0.000 0.444 218 I N -0.261 120.313 120.570 0.006 0.000 2.252 218 I HA -0.148 4.022 4.170 0.000 0.000 0.245 218 I C 2.690 178.804 176.117 -0.006 0.000 1.102 218 I CA 1.046 62.351 61.300 0.007 0.000 1.385 218 I CB -0.623 37.392 38.000 0.024 0.000 1.064 218 I HN 0.369 nan 8.210 nan 0.000 0.414 219 G N 0.478 109.270 108.800 -0.014 0.000 2.418 219 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 219 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 219 G C 1.665 176.539 174.900 -0.044 0.000 1.158 219 G CA 1.465 46.543 45.100 -0.037 0.000 0.771 219 G HN 0.304 nan 8.290 nan 0.000 0.545 220 T N 0.461 114.994 114.554 -0.035 0.000 2.821 220 T HA -0.031 4.319 4.350 0.000 0.000 0.267 220 T C 2.165 176.848 174.700 -0.028 0.000 1.046 220 T CA 1.504 63.584 62.100 -0.034 0.000 1.139 220 T CB -0.027 68.826 68.868 -0.026 0.000 0.871 220 T HN 0.390 nan 8.240 nan 0.000 0.454 221 E N 1.410 121.597 120.200 -0.022 0.000 2.028 221 E HA -0.015 4.335 4.350 0.000 0.000 0.191 221 E C 2.017 178.602 176.600 -0.025 0.000 0.988 221 E CA 1.000 57.388 56.400 -0.020 0.000 0.799 221 E CB -0.584 29.107 29.700 -0.015 0.000 0.755 221 E HN 0.480 nan 8.360 nan 0.000 0.447 222 I N 0.750 121.305 120.570 -0.026 0.000 2.151 222 I HA -0.330 3.841 4.170 0.000 0.000 0.243 222 I C 2.389 178.483 176.117 -0.038 0.000 1.080 222 I CA 1.981 63.263 61.300 -0.031 0.000 1.339 222 I CB -0.628 37.356 38.000 -0.025 0.000 1.039 222 I HN 0.341 nan 8.210 nan 0.000 0.409 223 T N -2.571 111.957 114.554 -0.043 0.000 2.985 223 T HA -0.068 4.282 4.350 0.000 0.000 0.266 223 T C 1.860 176.536 174.700 -0.040 0.000 1.076 223 T CA 1.008 63.079 62.100 -0.049 0.000 1.135 223 T CB -0.403 68.427 68.868 -0.063 0.000 0.890 223 T HN 0.441 nan 8.240 nan 0.000 0.480 224 S N 0.961 116.641 115.700 -0.034 0.000 2.478 224 S HA 0.082 4.552 4.470 0.000 0.000 0.222 224 S C 1.006 175.592 174.600 -0.025 0.000 1.008 224 S CA -0.356 57.827 58.200 -0.028 0.000 0.928 224 S CB -0.695 62.491 63.200 -0.024 0.000 0.781 224 S HN 0.462 nan 8.310 nan 0.000 0.518 225 N N 3.268 121.952 118.700 -0.026 0.000 2.452 225 N HA 0.191 4.931 4.740 0.000 0.000 0.266 225 N C -2.156 173.339 175.510 -0.025 0.000 1.175 225 N CA -1.340 51.695 53.050 -0.024 0.000 0.945 225 N CB 1.471 39.943 38.487 -0.026 0.000 1.063 225 N HN 0.085 nan 8.380 nan 0.000 0.472 226 P HA 0.035 nan 4.420 nan 0.000 0.225 226 P C 1.334 178.623 177.300 -0.019 0.000 1.156 226 P CA 0.696 63.786 63.100 -0.016 0.000 0.787 226 P CB 0.371 32.066 31.700 -0.007 0.000 0.802 227 I N -1.223 119.335 120.570 -0.021 0.000 2.286 227 I HA -0.118 4.052 4.170 0.000 0.000 0.248 227 I C 0.543 176.622 176.117 -0.063 0.000 1.115 227 I CA 0.726 62.009 61.300 -0.028 0.000 1.392 227 I CB -0.487 37.501 38.000 -0.021 0.000 1.065 227 I HN -0.262 nan 8.210 nan 0.000 0.418 228 V N 2.953 122.830 119.914 -0.062 0.000 2.390 228 V HA 0.007 4.127 4.120 0.000 0.000 0.260 228 V C 1.334 177.382 176.094 -0.077 0.000 1.043 228 V CA 0.454 62.707 62.300 -0.078 0.000 1.047 228 V CB 0.032 31.818 31.823 -0.061 0.000 1.066 228 V HN 0.309 nan 8.190 nan 0.000 0.481 229 R N 2.563 123.001 120.500 -0.104 0.000 2.276 229 R HA 0.123 4.463 4.340 0.000 0.000 0.196 229 R C 0.542 176.790 176.300 -0.086 0.000 0.961 229 R CA 0.189 56.236 56.100 -0.089 0.000 1.024 229 R CB 0.296 30.534 30.300 -0.104 0.000 0.940 229 R HN 0.542 nan 8.270 nan 0.000 0.480 230 K N 0.766 121.109 120.400 -0.095 0.000 2.553 230 K HA 0.257 4.577 4.320 0.000 0.000 0.250 230 K C -2.088 174.465 176.600 -0.077 0.000 0.953 230 K CA -0.718 55.507 56.287 -0.103 0.000 0.800 230 K CB 1.472 33.893 32.500 -0.133 0.000 1.243 230 K HN -0.088 nan 8.250 nan 0.000 0.435 231 L N 2.375 123.557 121.223 -0.069 0.000 2.385 231 L HA 0.695 5.035 4.340 0.000 0.000 0.273 231 L C -1.279 175.586 176.870 -0.008 0.000 0.990 231 L CA 0.031 54.856 54.840 -0.026 0.000 0.821 231 L CB 2.273 44.320 42.059 -0.020 0.000 1.279 231 L HN 0.648 nan 8.230 nan 0.000 0.412 232 S N 4.278 120.004 115.700 0.042 0.000 2.472 232 S HA 0.769 5.239 4.470 0.000 0.000 0.303 232 S C -1.318 173.382 174.600 0.167 0.000 1.099 232 S CA -0.376 57.869 58.200 0.075 0.000 1.077 232 S CB 0.541 63.796 63.200 0.091 0.000 1.031 232 S HN 0.521 nan 8.310 nan 0.000 0.487 233 F N 3.076 123.019 119.950 -0.012 0.000 2.561 233 F HA 0.612 5.139 4.527 0.000 0.000 0.313 233 F C -0.776 175.020 175.800 -0.006 0.000 1.126 233 F CA -0.226 57.768 58.000 -0.009 0.000 0.918 233 F CB 1.934 40.927 39.000 -0.012 0.000 1.199 233 F HN 0.438 nan 8.300 nan 0.000 0.444 234 T N 4.472 118.527 114.554 -0.832 0.000 2.824 234 T HA 0.843 5.193 4.350 0.000 0.000 0.282 234 T C -0.179 173.818 174.700 -1.173 0.000 0.993 234 T CA -0.166 61.457 62.100 -0.794 0.000 0.967 234 T CB 1.297 69.949 68.868 -0.361 0.000 0.960 234 T HN 1.171 nan 8.240 nan 0.000 0.441 235 G N 1.778 110.026 108.800 -0.919 0.000 2.367 235 G HA2 0.412 4.372 3.960 0.000 0.000 0.272 235 G HA3 0.412 4.372 3.960 0.000 0.000 0.272 235 G C -0.605 174.190 174.900 -0.174 0.000 1.271 235 G CA -0.259 44.495 45.100 -0.577 0.000 0.893 235 G HN 0.976 nan 8.290 nan 0.000 0.485 236 S N -0.727 115.007 115.700 0.057 0.000 2.603 236 S HA 0.503 4.974 4.470 0.000 0.000 0.268 236 S C 1.416 176.141 174.600 0.208 0.000 1.317 236 S CA 0.991 59.237 58.200 0.076 0.000 1.012 236 S CB 1.327 64.543 63.200 0.028 0.000 0.926 236 S HN 0.934 nan 8.310 nan 0.000 0.539 237 T N 2.077 116.737 114.554 0.177 0.000 2.708 237 T HA -0.089 4.261 4.350 0.000 0.000 0.266 237 T C 2.217 177.014 174.700 0.161 0.000 1.037 237 T CA 1.606 63.837 62.100 0.219 0.000 1.146 237 T CB -0.999 68.072 68.868 0.338 0.000 0.865 237 T HN 0.847 nan 8.240 nan 0.000 0.435 238 A N 1.045 123.943 122.820 0.131 0.000 1.917 238 A HA -0.098 4.222 4.320 0.000 0.000 0.219 238 A C 2.578 180.186 177.584 0.039 0.000 1.182 238 A CA 1.662 53.744 52.037 0.076 0.000 0.633 238 A CB -1.069 17.968 19.000 0.063 0.000 0.819 238 A HN 0.380 nan 8.150 nan 0.000 0.448 239 V N -0.301 119.649 119.914 0.059 0.000 2.667 239 V HA -0.098 4.022 4.120 0.000 0.000 0.252 239 V C 2.723 178.682 176.094 -0.225 0.000 1.065 239 V CA 1.579 63.849 62.300 -0.050 0.000 1.083 239 V CB -1.239 30.608 31.823 0.041 0.000 0.692 239 V HN 0.624 nan 8.190 nan 0.000 0.468 240 G N 0.219 109.014 108.800 -0.007 0.000 2.422 240 G HA2 -0.210 3.750 3.960 0.000 0.000 0.218 240 G HA3 -0.210 3.750 3.960 0.000 0.000 0.218 240 G C 1.742 176.608 174.900 -0.058 0.000 1.146 240 G CA 0.543 45.634 45.100 -0.015 0.000 0.769 240 G HN 0.436 nan 8.290 nan 0.000 0.547 241 R N -0.045 120.444 120.500 -0.018 0.000 2.073 241 R HA 0.020 4.360 4.340 0.000 0.000 0.234 241 R C 2.618 178.882 176.300 -0.060 0.000 1.134 241 R CA 1.198 57.283 56.100 -0.026 0.000 0.952 241 R CB -0.602 29.695 30.300 -0.006 0.000 0.850 241 R HN 0.337 nan 8.270 nan 0.000 0.433 242 L N 0.665 121.839 121.223 -0.082 0.000 2.046 242 L HA -0.174 4.166 4.340 0.000 0.000 0.208 242 L C 2.465 179.264 176.870 -0.118 0.000 1.077 242 L CA 1.160 55.946 54.840 -0.090 0.000 0.747 242 L CB -0.534 41.468 42.059 -0.093 0.000 0.896 242 L HN 0.185 nan 8.230 nan 0.000 0.432 243 L N -0.845 120.267 121.223 -0.184 0.000 2.093 243 L HA -0.224 4.116 4.340 0.000 0.000 0.208 243 L C 2.673 179.467 176.870 -0.127 0.000 1.085 243 L CA 1.282 55.999 54.840 -0.205 0.000 0.755 243 L CB -0.327 41.506 42.059 -0.376 0.000 0.904 243 L HN 0.364 nan 8.230 nan 0.000 0.435 244 M N -0.071 119.470 119.600 -0.098 0.000 2.065 244 M HA -0.228 4.252 4.480 0.000 0.000 0.259 244 M C 2.364 178.633 176.300 -0.053 0.000 1.069 244 M CA 2.256 57.520 55.300 -0.059 0.000 1.110 244 M CB -0.136 32.441 32.600 -0.038 0.000 1.328 244 M HN 0.212 nan 8.290 nan 0.000 0.405 245 A N -0.390 122.399 122.820 -0.052 0.000 1.933 245 A HA -0.222 4.098 4.320 0.000 0.000 0.218 245 A C 1.951 179.507 177.584 -0.045 0.000 1.175 245 A CA 1.880 53.891 52.037 -0.043 0.000 0.628 245 A CB -0.823 18.154 19.000 -0.039 0.000 0.814 245 A HN 0.728 nan 8.150 nan 0.000 0.444 246 Q N -0.350 119.415 119.800 -0.057 0.000 2.224 246 Q HA -0.069 4.271 4.340 0.000 0.000 0.203 246 Q C 2.118 178.087 176.000 -0.051 0.000 0.970 246 Q CA 1.516 57.285 55.803 -0.055 0.000 0.865 246 Q CB -0.024 28.673 28.738 -0.068 0.000 0.922 246 Q HN 0.665 nan 8.270 nan 0.000 0.445 247 S N 0.129 115.796 115.700 -0.055 0.000 2.496 247 S HA 0.038 4.508 4.470 0.000 0.000 0.224 247 S C 1.892 176.469 174.600 -0.037 0.000 0.996 247 S CA 0.489 58.660 58.200 -0.048 0.000 0.927 247 S CB 0.093 63.261 63.200 -0.052 0.000 0.774 247 S HN 0.443 nan 8.310 nan 0.000 0.524 248 A N 2.736 125.535 122.820 -0.035 0.000 1.908 248 A HA -0.029 4.291 4.320 0.000 0.000 0.218 248 A C -0.143 177.427 177.584 -0.023 0.000 1.181 248 A CA 1.314 53.334 52.037 -0.028 0.000 0.627 248 A CB -1.856 17.128 19.000 -0.027 0.000 0.818 248 A HN 0.357 nan 8.150 nan 0.000 0.445 249 P HA -0.114 nan 4.420 nan 0.000 0.220 249 P C 1.080 178.370 177.300 -0.017 0.000 1.144 249 P CA 1.913 65.002 63.100 -0.018 0.000 0.800 249 P CB -0.174 31.514 31.700 -0.019 0.000 0.772 250 T N -5.851 108.690 114.554 -0.020 0.000 3.054 250 T HA 0.166 4.516 4.350 0.000 0.000 0.255 250 T C 0.611 175.300 174.700 -0.019 0.000 1.035 250 T CA -0.207 61.882 62.100 -0.019 0.000 0.941 250 T CB -0.670 68.185 68.868 -0.023 0.000 1.026 250 T HN -0.155 nan 8.240 nan 0.000 0.533 251 V N 1.333 121.235 119.914 -0.021 0.000 5.479 251 V HA -0.255 3.865 4.120 0.000 0.000 0.289 251 V C 0.455 176.534 176.094 -0.025 0.000 0.595 251 V CA 0.579 62.866 62.300 -0.020 0.000 0.649 251 V CB -2.285 29.530 31.823 -0.013 0.000 0.390 251 V HN 0.654 nan 8.190 nan 0.000 0.974 252 K N 0.410 120.790 120.400 -0.033 0.000 2.380 252 K HA 0.301 4.621 4.320 0.000 0.000 0.267 252 K C 0.411 176.984 176.600 -0.045 0.000 0.990 252 K CA -0.388 55.874 56.287 -0.042 0.000 0.946 252 K CB 0.771 33.242 32.500 -0.048 0.000 0.937 252 K HN 0.442 nan 8.250 nan 0.000 0.491 253 K N 1.836 122.202 120.400 -0.057 0.000 2.298 253 K HA 0.167 4.487 4.320 0.000 0.000 0.280 253 K C -1.014 175.537 176.600 -0.081 0.000 1.032 253 K CA -0.447 55.800 56.287 -0.068 0.000 0.958 253 K CB 0.438 32.888 32.500 -0.083 0.000 0.978 253 K HN 0.189 nan 8.250 nan 0.000 0.472 254 L N 2.885 124.067 121.223 -0.070 0.000 2.385 254 L HA 0.365 4.705 4.340 0.000 0.000 0.273 254 L C -0.798 176.041 176.870 -0.051 0.000 0.990 254 L CA -0.127 54.682 54.840 -0.051 0.000 0.821 254 L CB 2.079 44.122 42.059 -0.026 0.000 1.279 254 L HN 0.618 nan 8.230 nan 0.000 0.412 255 T N 5.300 119.829 114.554 -0.042 0.000 2.786 255 T HA 0.691 5.041 4.350 0.000 0.000 0.283 255 T C -0.444 174.291 174.700 0.058 0.000 0.992 255 T CA -0.287 61.804 62.100 -0.015 0.000 0.954 255 T CB 0.586 69.424 68.868 -0.050 0.000 0.934 255 T HN 0.277 nan 8.240 nan 0.000 0.440 256 L N 3.458 124.723 121.223 0.070 0.000 2.372 256 L HA 0.472 4.812 4.340 0.000 0.000 0.273 256 L C 0.050 176.962 176.870 0.069 0.000 0.989 256 L CA -0.829 54.090 54.840 0.132 0.000 0.841 256 L CB 1.603 43.759 42.059 0.162 0.000 1.225 256 L HN 0.454 nan 8.230 nan 0.000 0.414 257 E N 5.512 125.717 120.200 0.008 0.000 2.035 257 E HA 0.432 4.782 4.350 0.000 0.000 0.271 257 E C -0.357 176.213 176.600 -0.049 0.000 0.953 257 E CA -0.204 56.191 56.400 -0.009 0.000 0.777 257 E CB 1.914 31.607 29.700 -0.012 0.000 1.104 257 E HN 0.531 nan 8.360 nan 0.000 0.408 258 L N 0.342 121.582 121.223 0.028 0.000 2.902 258 L HA 0.531 4.871 4.340 0.000 0.000 0.229 258 L C 1.216 178.111 176.870 0.042 0.000 1.324 258 L CA -1.067 53.809 54.840 0.061 0.000 1.230 258 L CB 0.067 42.217 42.059 0.151 0.000 2.134 258 L HN 0.397 nan 8.230 nan 0.000 0.567 259 G N -1.402 107.428 108.800 0.051 0.000 2.572 259 G HA2 0.480 4.440 3.960 0.000 0.000 0.261 259 G HA3 0.480 4.440 3.960 0.000 0.000 0.261 259 G C -0.315 174.473 174.900 -0.188 0.000 1.197 259 G CA 0.270 45.303 45.100 -0.112 0.000 0.870 259 G HN 0.713 nan 8.290 nan 0.000 0.548 260 G N -1.120 107.509 108.800 -0.286 0.000 3.262 260 G HA2 0.468 4.429 3.960 0.000 0.000 0.229 260 G HA3 0.468 4.429 3.960 0.000 0.000 0.229 260 G C -0.425 174.325 174.900 -0.251 0.000 1.280 260 G CA -0.438 44.568 45.100 -0.157 0.000 0.951 260 G HN 0.704 nan 8.290 nan 0.000 0.589 261 N N -1.165 117.555 118.700 0.032 0.000 2.704 261 N HA 0.209 4.949 4.740 0.000 0.000 0.226 261 N C -0.091 175.485 175.510 0.110 0.000 1.368 261 N CA 0.067 53.171 53.050 0.089 0.000 1.385 261 N CB 0.188 38.826 38.487 0.251 0.000 1.500 261 N HN 0.751 nan 8.380 nan 0.000 0.580 262 A N 1.803 124.643 122.820 0.033 0.000 2.561 262 A HA 0.304 4.624 4.320 0.000 0.000 0.251 262 A C -2.177 175.370 177.584 -0.062 0.000 1.062 262 A CA -0.183 51.821 52.037 -0.055 0.000 0.761 262 A CB -0.258 18.740 19.000 -0.003 0.000 0.986 262 A HN 0.232 nan 8.150 nan 0.000 0.510 263 P HA 0.286 nan 4.420 nan 0.000 0.292 263 P C -1.004 176.296 177.300 -0.001 0.000 1.287 263 P CA -0.143 62.937 63.100 -0.034 0.000 0.800 263 P CB 0.720 32.363 31.700 -0.096 0.000 0.945 264 F N 4.673 124.531 119.950 -0.152 0.000 2.313 264 F HA 0.425 4.952 4.527 0.000 0.000 0.369 264 F C -0.125 175.692 175.800 0.029 0.000 1.109 264 F CA -0.768 57.172 58.000 -0.100 0.000 1.132 264 F CB 0.306 39.000 39.000 -0.510 0.000 1.291 264 F HN 0.143 nan 8.300 nan 0.000 0.496 265 I N 6.464 126.980 120.570 -0.091 0.000 2.331 265 I HA 0.313 4.483 4.170 0.000 0.000 0.292 265 I C -0.866 175.244 176.117 -0.012 0.000 0.998 265 I CA -0.668 60.586 61.300 -0.077 0.000 1.267 265 I CB 1.389 39.255 38.000 -0.223 0.000 1.386 265 I HN 0.185 nan 8.210 nan 0.000 0.476 266 V N 7.201 127.146 119.914 0.051 0.000 2.376 266 V HA 0.377 4.497 4.120 0.000 0.000 0.287 266 V C -0.153 176.035 176.094 0.158 0.000 1.015 266 V CA -0.577 61.777 62.300 0.089 0.000 0.834 266 V CB 0.758 32.487 31.823 -0.156 0.000 1.001 266 V HN 0.396 nan 8.190 nan 0.000 0.428 267 F N 2.875 123.000 119.950 0.291 0.000 2.348 267 F HA 0.287 4.814 4.527 0.000 0.000 0.308 267 F C 1.919 177.786 175.800 0.112 0.000 1.175 267 F CA -0.221 57.959 58.000 0.301 0.000 1.080 267 F CB 0.678 39.832 39.000 0.257 0.000 1.341 267 F HN 0.665 nan 8.300 nan 0.000 0.518 268 D N -0.210 120.293 120.400 0.172 0.000 2.183 268 D HA -0.165 4.475 4.640 0.000 0.000 0.203 268 D C 0.852 177.182 176.300 0.050 0.000 0.969 268 D CA 1.340 55.312 54.000 -0.048 0.000 0.842 268 D CB -0.592 40.020 40.800 -0.314 0.000 0.957 268 D HN 0.615 nan 8.370 nan 0.000 0.484 269 D N 1.063 121.523 120.400 0.101 0.000 2.340 269 D HA 0.155 4.795 4.640 0.000 0.000 0.220 269 D C 0.698 177.074 176.300 0.127 0.000 1.039 269 D CA -0.245 53.807 54.000 0.087 0.000 0.866 269 D CB -0.354 40.480 40.800 0.056 0.000 0.913 269 D HN 0.274 nan 8.370 nan 0.000 0.523 270 A N 0.723 123.655 122.820 0.186 0.000 2.483 270 A HA 0.127 4.448 4.320 0.000 0.000 0.238 270 A C 0.283 177.978 177.584 0.185 0.000 1.070 270 A CA -0.260 51.915 52.037 0.229 0.000 0.770 270 A CB 0.176 19.354 19.000 0.297 0.000 1.008 270 A HN 0.119 nan 8.150 nan 0.000 0.497 271 D N 1.855 122.377 120.400 0.204 0.000 2.346 271 D HA 0.121 4.761 4.640 0.000 0.000 0.260 271 D C 0.711 177.101 176.300 0.150 0.000 1.252 271 D CA -0.249 53.848 54.000 0.162 0.000 0.895 271 D CB 0.612 41.512 40.800 0.167 0.000 1.097 271 D HN 0.263 nan 8.370 nan 0.000 0.489 272 L N 4.089 125.387 121.223 0.124 0.000 2.156 272 L HA -0.066 4.274 4.340 0.000 0.000 0.208 272 L C 1.690 178.614 176.870 0.090 0.000 1.095 272 L CA 1.224 56.145 54.840 0.136 0.000 0.770 272 L CB -0.459 41.682 42.059 0.136 0.000 0.914 272 L HN 0.377 nan 8.230 nan 0.000 0.439 273 D N -0.668 119.769 120.400 0.062 0.000 2.144 273 D HA -0.118 4.523 4.640 0.000 0.000 0.199 273 D C 2.230 178.557 176.300 0.045 0.000 0.984 273 D CA 1.312 55.332 54.000 0.034 0.000 0.834 273 D CB -0.020 40.801 40.800 0.035 0.000 0.955 273 D HN 0.308 nan 8.370 nan 0.000 0.465 274 A N 0.827 123.696 122.820 0.083 0.000 1.872 274 A HA 0.060 4.380 4.320 0.000 0.000 0.214 274 A C 2.288 179.841 177.584 -0.052 0.000 1.187 274 A CA 1.901 54.019 52.037 0.135 0.000 0.614 274 A CB -0.917 18.255 19.000 0.286 0.000 0.826 274 A HN 0.207 nan 8.150 nan 0.000 0.442 275 A N -0.546 122.073 122.820 -0.336 0.000 1.917 275 A HA -0.076 4.244 4.320 0.000 0.000 0.219 275 A C 2.254 179.835 177.584 -0.005 0.000 1.182 275 A CA 1.989 53.611 52.037 -0.693 0.000 0.633 275 A CB -0.975 17.876 19.000 -0.250 0.000 0.819 275 A HN 0.393 nan 8.150 nan 0.000 0.448 276 V N -0.185 119.760 119.914 0.051 0.000 2.307 276 V HA -0.202 3.918 4.120 0.000 0.000 0.245 276 V C 3.137 179.201 176.094 -0.051 0.000 1.045 276 V CA 2.644 64.900 62.300 -0.074 0.000 1.024 276 V CB -1.208 30.493 31.823 -0.203 0.000 0.651 276 V HN 0.805 nan 8.190 nan 0.000 0.449 277 E N 0.273 120.474 120.200 0.002 0.000 2.070 277 E HA -0.257 4.093 4.350 0.000 0.000 0.197 277 E C 2.280 178.932 176.600 0.087 0.000 1.004 277 E CA 1.824 58.250 56.400 0.044 0.000 0.805 277 E CB -1.464 28.282 29.700 0.075 0.000 0.744 277 E HN 0.676 nan 8.360 nan 0.000 0.451 278 G N -0.075 108.831 108.800 0.177 0.000 2.443 278 G HA2 0.112 4.072 3.960 0.000 0.000 0.219 278 G HA3 0.112 4.072 3.960 0.000 0.000 0.219 278 G C 1.958 176.912 174.900 0.090 0.000 1.131 278 G CA 1.518 46.808 45.100 0.317 0.000 0.775 278 G HN 0.895 nan 8.290 nan 0.000 0.547 279 A N 0.865 123.567 122.820 -0.197 0.000 1.969 279 A HA 0.095 4.415 4.320 0.000 0.000 0.218 279 A C 2.269 179.778 177.584 -0.126 0.000 1.169 279 A CA 1.043 52.795 52.037 -0.475 0.000 0.635 279 A CB -0.188 18.622 19.000 -0.317 0.000 0.810 279 A HN 0.273 nan 8.150 nan 0.000 0.445 280 I N -0.055 120.515 120.570 -0.000 0.000 2.286 280 I HA -0.166 4.004 4.170 0.000 0.000 0.245 280 I C 2.902 179.085 176.117 0.109 0.000 1.104 280 I CA 1.292 62.685 61.300 0.155 0.000 1.397 280 I CB -1.652 36.404 38.000 0.093 0.000 1.072 280 I HN 0.343 nan 8.210 nan 0.000 0.417 281 A N 1.012 123.860 122.820 0.047 0.000 1.877 281 A HA -0.184 4.136 4.320 0.000 0.000 0.216 281 A C 2.486 180.057 177.584 -0.022 0.000 1.186 281 A CA 2.388 54.447 52.037 0.036 0.000 0.620 281 A CB -0.774 18.258 19.000 0.054 0.000 0.822 281 A HN 0.539 nan 8.150 nan 0.000 0.443 282 S N -1.479 114.148 115.700 -0.122 0.000 2.501 282 S HA 0.056 4.526 4.470 0.000 0.000 0.220 282 S C 1.613 176.068 174.600 -0.242 0.000 0.997 282 S CA 1.213 59.264 58.200 -0.247 0.000 0.919 282 S CB 0.083 62.914 63.200 -0.615 0.000 0.778 282 S HN 0.423 nan 8.310 nan 0.000 0.523 283 K N 0.114 120.353 120.400 -0.268 0.000 2.335 283 K HA 0.315 4.635 4.320 0.000 0.000 0.195 283 K C 0.365 176.673 176.600 -0.486 0.000 1.058 283 K CA 0.503 56.542 56.287 -0.413 0.000 0.988 283 K CB -0.076 32.133 32.500 -0.485 0.000 0.880 283 K HN 0.428 nan 8.250 nan 0.000 0.513 284 Y N 0.227 120.524 120.300 -0.004 0.000 2.531 284 Y HA 0.375 4.925 4.550 0.000 0.000 0.249 284 Y C 0.093 176.001 175.900 0.014 0.000 1.168 284 Y CA -0.653 57.452 58.100 0.008 0.000 1.226 284 Y CB 0.273 38.735 38.460 0.002 0.000 1.177 284 Y HN -0.153 nan 8.280 nan 0.000 0.527 285 R N 1.793 122.358 120.500 0.108 0.000 2.543 285 R HA 0.036 4.376 4.340 0.000 0.000 0.277 285 R C 0.695 177.052 176.300 0.094 0.000 1.074 285 R CA 0.232 56.392 56.100 0.100 0.000 1.076 285 R CB 0.084 30.442 30.300 0.096 0.000 0.993 285 R HN 0.224 nan 8.270 nan 0.000 0.459 286 N N 3.194 121.940 118.700 0.076 0.000 2.708 286 N HA -0.371 4.369 4.740 0.000 0.000 0.251 286 N C -0.899 174.653 175.510 0.071 0.000 1.017 286 N CA 1.531 54.607 53.050 0.043 0.000 0.742 286 N CB -1.362 37.128 38.487 0.005 0.000 0.943 286 N HN 0.973 nan 8.380 nan 0.000 0.539 287 N N -1.192 117.566 118.700 0.096 0.000 2.708 287 N HA -0.225 4.515 4.740 0.000 0.000 0.249 287 N C 0.643 176.212 175.510 0.099 0.000 1.097 287 N CA 1.453 54.578 53.050 0.124 0.000 0.710 287 N CB -1.335 37.206 38.487 0.089 0.000 1.032 287 N HN 1.127 nan 8.380 nan 0.000 0.551 288 G N -0.564 108.262 108.800 0.043 0.000 2.143 288 G HA2 -0.313 3.647 3.960 0.000 0.000 0.248 288 G HA3 -0.313 3.647 3.960 0.000 0.000 0.248 288 G C 0.306 175.118 174.900 -0.148 0.000 0.991 288 G CA 0.657 45.718 45.100 -0.064 0.000 0.689 288 G HN 0.636 nan 8.290 nan 0.000 0.522 289 Q N 0.057 119.808 119.800 -0.082 0.000 2.219 289 Q HA 0.167 4.507 4.340 0.000 0.000 0.209 289 Q C 1.381 177.232 176.000 -0.249 0.000 0.854 289 Q CA 0.587 56.312 55.803 -0.130 0.000 0.960 289 Q CB 0.635 29.546 28.738 0.288 0.000 1.116 289 Q HN 0.733 nan 8.270 nan 0.000 0.500 290 T N -3.173 111.297 114.554 -0.139 0.000 2.898 290 T HA 0.043 4.393 4.350 0.000 0.000 0.301 290 T C 1.410 175.976 174.700 -0.223 0.000 1.049 290 T CA -0.651 61.449 62.100 -0.001 0.000 1.095 290 T CB 1.314 70.264 68.868 0.135 0.000 0.976 290 T HN 0.199 nan 8.240 nan 0.000 0.539 291 C N 1.760 121.010 119.300 -0.083 0.000 2.413 291 C HA -0.025 4.435 4.460 0.000 0.000 0.277 291 C C 2.566 177.529 174.990 -0.045 0.000 1.265 291 C CA 0.602 59.593 59.018 -0.045 0.000 1.752 291 C CB -1.634 26.137 27.740 0.051 0.000 1.998 291 C HN 0.905 nan 8.230 nan 0.000 0.489 292 V N -2.549 117.368 119.914 0.004 0.000 3.444 292 V HA 0.310 4.430 4.120 0.000 0.000 0.308 292 V C 0.629 176.769 176.094 0.076 0.000 1.371 292 V CA -0.641 61.679 62.300 0.034 0.000 1.141 292 V CB -1.760 30.111 31.823 0.081 0.000 1.037 292 V HN 0.527 nan 8.190 nan 0.000 0.433 293 C N 2.467 121.744 119.300 -0.039 0.000 2.642 293 C HA 0.271 4.731 4.460 0.000 0.000 0.420 293 C C 1.516 176.472 174.990 -0.057 0.000 1.349 293 C CA 0.623 59.595 59.018 -0.078 0.000 1.821 293 C CB -0.240 27.388 27.740 -0.187 0.000 2.637 293 C HN 0.712 nan 8.230 nan 0.000 0.605 294 T N 4.558 119.052 114.554 -0.100 0.000 2.933 294 T HA -0.047 4.303 4.350 0.000 0.000 0.306 294 T C 0.916 175.505 174.700 -0.186 0.000 1.045 294 T CA 0.747 62.735 62.100 -0.188 0.000 1.143 294 T CB 0.198 68.740 68.868 -0.543 0.000 1.003 294 T HN 0.851 nan 8.240 nan 0.000 0.540 295 N N 1.743 120.366 118.700 -0.129 0.000 2.419 295 N HA 0.122 4.862 4.740 0.000 0.000 0.216 295 N C -0.155 175.356 175.510 0.003 0.000 1.118 295 N CA 0.064 53.092 53.050 -0.037 0.000 0.850 295 N CB 0.701 39.193 38.487 0.007 0.000 1.292 295 N HN 0.412 nan 8.380 nan 0.000 0.467 296 R N 0.065 120.513 120.500 -0.086 0.000 2.502 296 R HA 0.302 4.642 4.340 0.000 0.000 0.300 296 R C -1.440 174.754 176.300 -0.176 0.000 0.984 296 R CA -0.620 55.405 56.100 -0.125 0.000 0.882 296 R CB 1.245 31.295 30.300 -0.417 0.000 1.180 296 R HN -0.023 nan 8.270 nan 0.000 0.444 297 F N 2.619 122.591 119.950 0.037 0.000 2.410 297 F HA 0.340 4.867 4.527 0.000 0.000 0.348 297 F C 0.061 175.825 175.800 -0.060 0.000 1.106 297 F CA -0.052 58.000 58.000 0.088 0.000 1.163 297 F CB 0.696 39.764 39.000 0.113 0.000 1.129 297 F HN 0.351 nan 8.300 nan 0.000 0.516 298 F N 3.194 123.299 119.950 0.257 0.000 2.434 298 F HA 0.465 4.992 4.527 0.000 0.000 0.367 298 F C -0.605 175.390 175.800 0.325 0.000 1.093 298 F CA -0.873 57.249 58.000 0.203 0.000 1.085 298 F CB 1.085 39.973 39.000 -0.187 0.000 1.322 298 F HN 0.003 nan 8.300 nan 0.000 0.452 299 V N 2.795 123.031 119.914 0.537 0.000 2.483 299 V HA 0.251 4.371 4.120 0.000 0.000 0.295 299 V C 0.231 176.514 176.094 0.316 0.000 1.035 299 V CA -0.922 61.578 62.300 0.332 0.000 0.896 299 V CB 1.293 33.107 31.823 -0.015 0.000 0.986 299 V HN 0.524 nan 8.190 nan 0.000 0.447 300 H N 2.944 121.924 119.070 -0.150 0.000 2.815 300 H HA 0.111 4.667 4.556 0.000 0.000 0.350 300 H C 1.264 176.462 175.328 -0.217 0.000 1.080 300 H CA 0.577 56.208 56.048 -0.696 0.000 1.433 300 H CB 0.958 30.436 29.762 -0.473 0.000 1.432 300 H HN 0.838 nan 8.280 nan 0.000 0.592 301 E N 3.788 123.925 120.200 -0.105 0.000 2.149 301 E HA -0.324 4.026 4.350 0.000 0.000 0.215 301 E C 2.109 178.815 176.600 0.178 0.000 1.055 301 E CA 1.785 58.217 56.400 0.052 0.000 0.870 301 E CB 0.097 29.803 29.700 0.010 0.000 0.764 301 E HN 0.642 nan 8.360 nan 0.000 0.463 302 R N -0.153 120.497 120.500 0.250 0.000 2.066 302 R HA -0.119 4.221 4.340 0.000 0.000 0.232 302 R C 2.456 178.806 176.300 0.084 0.000 1.131 302 R CA 1.684 57.831 56.100 0.078 0.000 0.955 302 R CB -0.162 30.090 30.300 -0.080 0.000 0.851 302 R HN 0.216 nan 8.270 nan 0.000 0.432 303 V N -2.785 117.188 119.914 0.098 0.000 3.647 303 V HA 0.000 4.120 4.120 0.000 0.000 0.279 303 V C 1.660 177.870 176.094 0.193 0.000 1.314 303 V CA 0.148 62.520 62.300 0.120 0.000 1.125 303 V CB -0.940 30.942 31.823 0.098 0.000 0.907 303 V HN 0.166 nan 8.190 nan 0.000 0.434 304 Y N 2.372 122.727 120.300 0.092 0.000 2.002 304 Y HA -0.323 4.227 4.550 0.000 0.000 0.268 304 Y C 2.433 178.416 175.900 0.138 0.000 1.177 304 Y CA 2.660 60.830 58.100 0.117 0.000 1.111 304 Y CB -0.296 38.210 38.460 0.077 0.000 0.952 304 Y HN 0.260 nan 8.280 nan 0.000 0.491 305 D N -0.271 120.320 120.400 0.317 0.000 2.123 305 D HA -0.215 4.425 4.640 0.000 0.000 0.196 305 D C 2.221 178.570 176.300 0.080 0.000 0.992 305 D CA 1.468 55.581 54.000 0.188 0.000 0.833 305 D CB -0.557 40.340 40.800 0.161 0.000 0.954 305 D HN 0.516 nan 8.370 nan 0.000 0.455 306 A N 0.456 123.332 122.820 0.094 0.000 1.877 306 A HA -0.179 4.141 4.320 0.000 0.000 0.216 306 A C 2.129 179.737 177.584 0.040 0.000 1.186 306 A CA 1.115 53.189 52.037 0.060 0.000 0.620 306 A CB -0.989 18.057 19.000 0.077 0.000 0.822 306 A HN 0.277 nan 8.150 nan 0.000 0.443 307 F N 0.984 120.892 119.950 -0.071 0.000 2.102 307 F HA -0.026 4.501 4.527 0.000 0.000 0.298 307 F C 2.531 178.223 175.800 -0.180 0.000 1.105 307 F CA 1.298 59.229 58.000 -0.114 0.000 1.239 307 F CB -0.531 38.405 39.000 -0.108 0.000 0.991 307 F HN 0.251 nan 8.300 nan 0.000 0.474 308 A N 0.325 123.042 122.820 -0.172 0.000 1.892 308 A HA -0.251 4.069 4.320 0.000 0.000 0.218 308 A C 2.032 179.459 177.584 -0.261 0.000 1.188 308 A CA 2.214 54.082 52.037 -0.282 0.000 0.631 308 A CB -1.184 17.686 19.000 -0.217 0.000 0.822 308 A HN 0.507 nan 8.150 nan 0.000 0.447 309 D N -0.411 119.891 120.400 -0.164 0.000 2.097 309 D HA -0.126 4.514 4.640 0.000 0.000 0.195 309 D C 1.934 178.124 176.300 -0.182 0.000 0.989 309 D CA 1.479 55.400 54.000 -0.132 0.000 0.827 309 D CB -0.301 40.457 40.800 -0.070 0.000 0.966 309 D HN 0.500 nan 8.370 nan 0.000 0.456 310 K N -0.054 120.212 120.400 -0.224 0.000 2.148 310 K HA -0.097 4.223 4.320 0.000 0.000 0.204 310 K C 2.027 178.425 176.600 -0.337 0.000 1.050 310 K CA 0.231 56.374 56.287 -0.240 0.000 0.942 310 K CB -0.044 32.334 32.500 -0.202 0.000 0.724 310 K HN 0.019 nan 8.250 nan 0.000 0.446 311 L N 0.937 121.843 121.223 -0.528 0.000 2.023 311 L HA -0.057 4.283 4.340 0.000 0.000 0.205 311 L C 2.211 178.885 176.870 -0.326 0.000 1.073 311 L CA 1.707 56.219 54.840 -0.546 0.000 0.745 311 L CB -0.750 40.795 42.059 -0.855 0.000 0.900 311 L HN 0.087 nan 8.230 nan 0.000 0.435 312 A N -0.327 122.327 122.820 -0.277 0.000 1.917 312 A HA -0.239 4.081 4.320 0.000 0.000 0.219 312 A C 2.437 179.927 177.584 -0.156 0.000 1.182 312 A CA 2.229 54.156 52.037 -0.184 0.000 0.633 312 A CB -1.297 17.615 19.000 -0.146 0.000 0.819 312 A HN 0.588 nan 8.150 nan 0.000 0.448 313 A N -0.567 122.161 122.820 -0.153 0.000 1.933 313 A HA 0.180 4.500 4.320 0.000 0.000 0.218 313 A C 2.427 179.937 177.584 -0.124 0.000 1.175 313 A CA 2.070 54.034 52.037 -0.121 0.000 0.628 313 A CB -0.806 18.130 19.000 -0.108 0.000 0.814 313 A HN 1.104 nan 8.150 nan 0.000 0.444 314 A N -0.983 121.747 122.820 -0.150 0.000 2.021 314 A HA 0.208 4.528 4.320 0.000 0.000 0.216 314 A C 2.149 179.639 177.584 -0.157 0.000 1.163 314 A CA 1.279 53.233 52.037 -0.137 0.000 0.676 314 A CB -0.512 18.403 19.000 -0.143 0.000 0.818 314 A HN 0.291 nan 8.150 nan 0.000 0.453 315 V N 0.913 120.713 119.914 -0.191 0.000 2.283 315 V HA -0.195 3.925 4.120 0.000 0.000 0.243 315 V C 2.871 178.839 176.094 -0.210 0.000 1.039 315 V CA 2.280 64.424 62.300 -0.259 0.000 1.016 315 V CB -0.716 30.953 31.823 -0.256 0.000 0.650 315 V HN 0.771 nan 8.190 nan 0.000 0.449 316 S N 0.604 116.215 115.700 -0.149 0.000 2.537 316 S HA -0.115 4.355 4.470 0.000 0.000 0.240 316 S C 1.749 176.291 174.600 -0.096 0.000 0.981 316 S CA 1.348 59.482 58.200 -0.110 0.000 0.948 316 S CB -0.565 62.584 63.200 -0.086 0.000 0.759 316 S HN 0.648 nan 8.310 nan 0.000 0.531 317 K N 0.816 121.153 120.400 -0.105 0.000 2.444 317 K HA 0.510 4.830 4.320 0.000 0.000 0.193 317 K C 0.550 177.100 176.600 -0.083 0.000 1.024 317 K CA 0.222 56.459 56.287 -0.083 0.000 1.077 317 K CB -0.617 31.837 32.500 -0.076 0.000 0.833 317 K HN 0.608 nan 8.250 nan 0.000 0.517 318 L N 1.300 122.456 121.223 -0.112 0.000 2.305 318 L HA 0.308 4.648 4.340 0.000 0.000 0.281 318 L C 0.412 177.236 176.870 -0.077 0.000 1.085 318 L CA -0.684 54.091 54.840 -0.108 0.000 0.813 318 L CB 1.768 43.719 42.059 -0.180 0.000 1.157 318 L HN 0.145 nan 8.230 nan 0.000 0.436 319 K N 3.017 123.385 120.400 -0.052 0.000 2.263 319 K HA 0.322 4.642 4.320 0.000 0.000 0.282 319 K C -0.939 175.638 176.600 -0.038 0.000 1.089 319 K CA -0.510 55.753 56.287 -0.039 0.000 0.907 319 K CB 0.976 33.461 32.500 -0.026 0.000 1.148 319 K HN 0.334 nan 8.250 nan 0.000 0.470 320 V N 3.339 123.212 119.914 -0.068 0.000 2.508 320 V HA 0.491 4.611 4.120 0.000 0.000 0.281 320 V C 0.764 176.773 176.094 -0.141 0.000 1.041 320 V CA 0.041 62.275 62.300 -0.109 0.000 1.016 320 V CB 0.942 32.579 31.823 -0.310 0.000 0.984 320 V HN 1.000 nan 8.190 nan 0.000 0.478 321 G N 2.845 111.642 108.800 -0.005 0.000 2.451 321 G HA2 0.609 4.569 3.960 0.000 0.000 0.292 321 G HA3 0.609 4.569 3.960 0.000 0.000 0.292 321 G C -0.597 174.456 174.900 0.255 0.000 1.427 321 G CA -0.436 44.638 45.100 -0.042 0.000 0.792 321 G HN 0.878 nan 8.290 nan 0.000 0.498 322 R N -0.690 119.940 120.500 0.217 0.000 2.698 322 R HA 0.514 4.854 4.340 0.000 0.000 0.266 322 R C 1.769 178.166 176.300 0.161 0.000 1.026 322 R CA 1.184 57.464 56.100 0.299 0.000 1.102 322 R CB -0.344 30.075 30.300 0.199 0.000 0.978 322 R HN 2.205 nan 8.270 nan 0.000 0.436 323 G N 0.074 108.951 108.800 0.128 0.000 2.462 323 G HA2 -0.282 3.678 3.960 0.000 0.000 0.220 323 G HA3 -0.282 3.678 3.960 0.000 0.000 0.220 323 G C 1.653 176.586 174.900 0.055 0.000 1.121 323 G CA 1.714 46.858 45.100 0.073 0.000 0.758 323 G HN 0.915 nan 8.290 nan 0.000 0.559 324 T N -0.247 114.341 114.554 0.056 0.000 2.732 324 T HA -0.002 4.349 4.350 0.000 0.000 0.261 324 T C 1.246 175.965 174.700 0.032 0.000 1.040 324 T CA 0.878 63.001 62.100 0.039 0.000 1.145 324 T CB -0.253 68.637 68.868 0.037 0.000 0.866 324 T HN 0.474 nan 8.240 nan 0.000 0.427 325 E N 2.633 122.854 120.200 0.034 0.000 2.373 325 E HA 0.125 4.475 4.350 0.000 0.000 0.267 325 E C -0.909 175.702 176.600 0.019 0.000 1.032 325 E CA -0.294 56.120 56.400 0.022 0.000 0.889 325 E CB 0.679 30.389 29.700 0.016 0.000 0.984 325 E HN 0.269 nan 8.360 nan 0.000 0.425 326 S N 2.025 117.732 115.700 0.012 0.000 2.562 326 S HA 0.410 4.880 4.470 0.000 0.000 0.281 326 S C 1.043 175.647 174.600 0.006 0.000 1.333 326 S CA 0.173 58.378 58.200 0.010 0.000 1.052 326 S CB 0.902 64.106 63.200 0.006 0.000 0.884 326 S HN 0.876 nan 8.310 nan 0.000 0.506 327 G N 1.447 110.251 108.800 0.007 0.000 2.299 327 G HA2 -0.210 3.750 3.960 0.000 0.000 0.237 327 G HA3 -0.210 3.750 3.960 0.000 0.000 0.237 327 G C 0.294 175.196 174.900 0.004 0.000 1.027 327 G CA -0.162 44.940 45.100 0.003 0.000 0.619 327 G HN 1.350 nan 8.290 nan 0.000 0.513 328 A N 1.106 123.932 122.820 0.010 0.000 2.537 328 A HA 0.536 4.857 4.320 0.000 0.000 0.260 328 A C 1.554 179.154 177.584 0.026 0.000 1.082 328 A CA 1.923 53.971 52.037 0.019 0.000 0.765 328 A CB 0.027 19.049 19.000 0.037 0.000 1.019 328 A HN 1.524 nan 8.150 nan 0.000 0.507 329 T N 0.742 115.307 114.554 0.019 0.000 2.990 329 T HA 0.351 4.702 4.350 0.000 0.000 0.249 329 T C 0.336 175.057 174.700 0.036 0.000 1.039 329 T CA 0.169 62.282 62.100 0.021 0.000 1.036 329 T CB -0.149 68.721 68.868 0.002 0.000 0.994 329 T HN 0.382 nan 8.240 nan 0.000 0.489 330 L N 1.734 122.984 121.223 0.045 0.000 2.356 330 L HA 0.734 5.074 4.340 0.000 0.000 0.277 330 L C 0.561 177.507 176.870 0.128 0.000 0.996 330 L CA -1.180 53.703 54.840 0.071 0.000 0.822 330 L CB 1.929 44.018 42.059 0.050 0.000 1.256 330 L HN 0.295 nan 8.230 nan 0.000 0.413 331 G N 2.835 111.682 108.800 0.078 0.000 2.557 331 G HA2 0.687 4.647 3.960 0.000 0.000 0.302 331 G HA3 0.687 4.647 3.960 0.000 0.000 0.302 331 G C -2.777 171.980 174.900 -0.238 0.000 1.311 331 G CA -1.114 43.984 45.100 -0.003 0.000 1.030 331 G HN 0.325 nan 8.290 nan 0.000 0.509 332 P HA 0.374 nan 4.420 nan 0.000 0.284 332 P C -0.514 176.600 177.300 -0.309 0.000 1.258 332 P CA -0.685 61.954 63.100 -0.768 0.000 0.824 332 P CB 1.380 32.338 31.700 -1.236 0.000 1.038 333 L N 2.402 123.518 121.223 -0.179 0.000 2.482 333 L HA -0.004 4.336 4.340 0.000 0.000 0.273 333 L C 2.343 179.097 176.870 -0.193 0.000 1.228 333 L CA 0.338 55.111 54.840 -0.113 0.000 0.827 333 L CB -0.677 41.346 42.059 -0.062 0.000 1.099 333 L HN 0.340 nan 8.230 nan 0.000 0.494 334 I N 1.357 121.759 120.570 -0.280 0.000 2.145 334 I HA -0.326 3.845 4.170 0.000 0.000 0.244 334 I C 1.190 177.101 176.117 -0.343 0.000 1.075 334 I CA 2.072 63.095 61.300 -0.461 0.000 1.332 334 I CB -0.232 37.078 38.000 -1.149 0.000 1.033 334 I HN 1.051 nan 8.210 nan 0.000 0.410 335 N N -2.390 116.138 118.700 -0.286 0.000 3.249 335 N HA 0.158 4.898 4.740 0.000 0.000 0.254 335 N C 0.770 176.211 175.510 -0.115 0.000 1.527 335 N CA -0.210 52.725 53.050 -0.192 0.000 0.919 335 N CB -0.137 38.225 38.487 -0.208 0.000 3.007 335 N HN 0.002 nan 8.380 nan 0.000 0.380 336 E N -1.289 118.855 120.200 -0.094 0.000 2.500 336 E HA 0.364 4.714 4.350 0.000 0.000 0.217 336 E C 1.209 177.781 176.600 -0.046 0.000 0.848 336 E CA 0.399 56.771 56.400 -0.047 0.000 1.217 336 E CB 0.676 30.357 29.700 -0.032 0.000 1.217 336 E HN 0.497 nan 8.360 nan 0.000 0.573 337 A N 1.146 123.927 122.820 -0.066 0.000 1.969 337 A HA 0.040 4.360 4.320 0.000 0.000 0.218 337 A C 2.267 179.813 177.584 -0.063 0.000 1.169 337 A CA 1.606 53.609 52.037 -0.057 0.000 0.635 337 A CB -0.306 18.659 19.000 -0.059 0.000 0.810 337 A HN 0.218 nan 8.150 nan 0.000 0.445 338 A N -0.480 122.295 122.820 -0.076 0.000 1.898 338 A HA 0.025 4.345 4.320 0.000 0.000 0.216 338 A C 2.200 179.734 177.584 -0.083 0.000 1.181 338 A CA 1.681 53.681 52.037 -0.062 0.000 0.620 338 A CB -0.856 18.106 19.000 -0.063 0.000 0.819 338 A HN 0.342 nan 8.150 nan 0.000 0.442 339 V N 0.371 120.244 119.914 -0.069 0.000 2.295 339 V HA -0.236 3.884 4.120 0.000 0.000 0.246 339 V C 3.197 179.253 176.094 -0.064 0.000 1.049 339 V CA 2.664 64.926 62.300 -0.063 0.000 1.024 339 V CB -1.153 30.707 31.823 0.062 0.000 0.648 339 V HN 0.728 nan 8.190 nan 0.000 0.447 340 K N 0.239 120.620 120.400 -0.031 0.000 2.147 340 K HA -0.247 4.073 4.320 0.000 0.000 0.205 340 K C 2.045 178.609 176.600 -0.061 0.000 1.049 340 K CA 2.049 58.325 56.287 -0.020 0.000 0.936 340 K CB -0.581 31.912 32.500 -0.012 0.000 0.722 340 K HN 0.436 nan 8.250 nan 0.000 0.446 341 K N 0.518 120.854 120.400 -0.107 0.000 2.057 341 K HA -0.020 4.300 4.320 0.000 0.000 0.207 341 K C 1.998 178.432 176.600 -0.276 0.000 1.049 341 K CA 1.480 57.656 56.287 -0.185 0.000 0.931 341 K CB -0.594 31.799 32.500 -0.179 0.000 0.714 341 K HN 0.186 nan 8.250 nan 0.000 0.440 342 V N 1.130 120.897 119.914 -0.246 0.000 2.295 342 V HA -0.258 3.862 4.120 0.000 0.000 0.246 342 V C 2.084 178.113 176.094 -0.108 0.000 1.049 342 V CA 2.126 64.270 62.300 -0.260 0.000 1.024 342 V CB -0.475 31.015 31.823 -0.555 0.000 0.648 342 V HN 0.410 nan 8.190 nan 0.000 0.447 343 E N 0.026 120.190 120.200 -0.061 0.000 2.021 343 E HA -0.272 4.078 4.350 0.000 0.000 0.200 343 E C 2.430 179.080 176.600 0.084 0.000 1.015 343 E CA 1.804 58.247 56.400 0.071 0.000 0.824 343 E CB -0.421 29.337 29.700 0.096 0.000 0.762 343 E HN 0.462 nan 8.360 nan 0.000 0.454 344 S N -0.578 115.157 115.700 0.057 0.000 2.407 344 S HA -0.242 4.228 4.470 0.000 0.000 0.235 344 S C 1.730 176.444 174.600 0.190 0.000 1.036 344 S CA 1.343 59.600 58.200 0.095 0.000 1.013 344 S CB -0.320 62.920 63.200 0.068 0.000 0.820 344 S HN 0.352 nan 8.310 nan 0.000 0.476 345 H N -0.370 118.722 119.070 0.037 0.000 2.333 345 H HA 0.031 4.587 4.556 0.000 0.000 0.302 345 H C 2.164 177.519 175.328 0.046 0.000 1.075 345 H CA 1.521 57.595 56.048 0.044 0.000 1.348 345 H CB -0.032 29.755 29.762 0.042 0.000 1.393 345 H HN 0.376 nan 8.280 nan 0.000 0.509 346 I N 0.734 121.414 120.570 0.184 0.000 2.113 346 I HA -0.274 3.896 4.170 0.000 0.000 0.238 346 I C 2.894 179.068 176.117 0.095 0.000 1.070 346 I CA 0.922 62.299 61.300 0.128 0.000 1.332 346 I CB -0.372 37.718 38.000 0.150 0.000 1.044 346 I HN 0.240 nan 8.210 nan 0.000 0.402 347 A N 0.735 123.613 122.820 0.097 0.000 1.859 347 A HA -0.378 3.943 4.320 0.000 0.000 0.218 347 A C 2.176 179.795 177.584 0.058 0.000 1.209 347 A CA 2.561 54.641 52.037 0.073 0.000 0.639 347 A CB -1.161 17.882 19.000 0.072 0.000 0.835 347 A HN 0.609 nan 8.150 nan 0.000 0.450 348 D N -0.172 120.268 120.400 0.066 0.000 2.182 348 D HA -0.088 4.552 4.640 0.000 0.000 0.201 348 D C 1.973 178.289 176.300 0.027 0.000 0.986 348 D CA 1.592 55.622 54.000 0.049 0.000 0.847 348 D CB -0.150 40.687 40.800 0.062 0.000 0.942 348 D HN 0.376 nan 8.370 nan 0.000 0.467 349 A N 2.035 124.869 122.820 0.023 0.000 1.823 349 A HA -0.065 4.255 4.320 0.000 0.000 0.214 349 A C 2.383 179.965 177.584 -0.002 0.000 1.225 349 A CA 1.167 53.200 52.037 -0.007 0.000 0.604 349 A CB -1.186 17.803 19.000 -0.018 0.000 0.878 349 A HN 0.369 nan 8.150 nan 0.000 0.450 350 L N -0.028 121.204 121.223 0.015 0.000 2.197 350 L HA -0.137 4.203 4.340 0.000 0.000 0.215 350 L C 1.560 178.439 176.870 0.014 0.000 1.095 350 L CA 2.552 57.403 54.840 0.017 0.000 0.764 350 L CB -1.277 40.803 42.059 0.035 0.000 0.897 350 L HN 0.365 nan 8.230 nan 0.000 0.436 351 A N -0.063 122.768 122.820 0.018 0.000 3.181 351 A HA 0.309 4.629 4.320 0.000 0.000 0.293 351 A C 1.082 178.672 177.584 0.010 0.000 1.346 351 A CA -0.315 51.731 52.037 0.015 0.000 1.018 351 A CB -0.229 18.784 19.000 0.021 0.000 1.093 351 A HN 0.472 nan 8.150 nan 0.000 0.629 352 K N -1.077 119.324 120.400 0.002 0.000 2.646 352 K HA 0.249 4.570 4.320 0.000 0.000 0.177 352 K C 0.796 177.389 176.600 -0.011 0.000 1.222 352 K CA 0.543 56.828 56.287 -0.003 0.000 1.138 352 K CB 0.754 33.251 32.500 -0.005 0.000 0.955 352 K HN 0.854 nan 8.250 nan 0.000 0.524 353 G N 0.962 109.756 108.800 -0.011 0.000 2.238 353 G HA2 -0.237 3.724 3.960 0.000 0.000 0.217 353 G HA3 -0.237 3.724 3.960 0.000 0.000 0.217 353 G C 0.276 175.164 174.900 -0.021 0.000 0.996 353 G CA -0.087 45.003 45.100 -0.016 0.000 0.632 353 G HN 0.403 nan 8.290 nan 0.000 0.503 354 A N -0.144 122.660 122.820 -0.027 0.000 2.386 354 A HA 0.744 5.064 4.320 0.000 0.000 0.246 354 A C 0.628 178.207 177.584 -0.008 0.000 1.089 354 A CA 1.222 53.240 52.037 -0.031 0.000 0.790 354 A CB 0.836 19.810 19.000 -0.043 0.000 1.042 354 A HN 1.528 nan 8.150 nan 0.000 0.497 355 S N -0.226 115.474 115.700 -0.001 0.000 2.575 355 S HA 0.488 4.958 4.470 0.000 0.000 0.278 355 S C -0.727 173.881 174.600 0.013 0.000 1.139 355 S CA -0.611 57.595 58.200 0.009 0.000 0.954 355 S CB 0.668 63.876 63.200 0.013 0.000 1.054 355 S HN 0.832 nan 8.310 nan 0.000 0.483 356 L N 4.011 125.243 121.223 0.016 0.000 2.476 356 L HA 0.497 4.837 4.340 0.000 0.000 0.264 356 L C 0.727 177.600 176.870 0.007 0.000 1.224 356 L CA 0.992 55.843 54.840 0.019 0.000 0.821 356 L CB 0.515 42.587 42.059 0.022 0.000 1.101 356 L HN 1.001 nan 8.230 nan 0.000 0.488 357 M N 0.016 119.617 119.600 0.001 0.000 1.893 357 M HA 0.157 4.637 4.480 0.000 0.000 0.389 357 M C -0.418 175.866 176.300 -0.027 0.000 0.807 357 M CA 0.285 55.575 55.300 -0.018 0.000 1.178 357 M CB 0.591 33.172 32.600 -0.032 0.000 2.351 357 M HN 0.690 nan 8.290 nan 0.000 0.819 358 T N -1.025 113.522 114.554 -0.012 0.000 2.907 358 T HA 0.537 4.887 4.350 0.000 0.000 0.344 358 T C 0.017 174.725 174.700 0.014 0.000 1.675 358 T CA 0.580 62.670 62.100 -0.016 0.000 1.076 358 T CB 0.856 69.700 68.868 -0.041 0.000 1.483 358 T HN 0.934 nan 8.240 nan 0.000 0.487 359 G N 2.260 111.063 108.800 0.005 0.000 2.536 359 G HA2 0.222 4.182 3.960 0.000 0.000 0.277 359 G HA3 0.222 4.182 3.960 0.000 0.000 0.277 359 G C 1.482 176.393 174.900 0.019 0.000 1.155 359 G CA 1.730 46.842 45.100 0.021 0.000 0.960 359 G HN 2.575 nan 8.290 nan 0.000 0.544 360 G N -2.412 106.452 108.800 0.107 0.000 2.267 360 G HA2 0.323 4.283 3.960 0.000 0.000 0.257 360 G HA3 0.323 4.283 3.960 0.000 0.000 0.257 360 G C 0.873 175.798 174.900 0.042 0.000 0.998 360 G CA 2.171 47.349 45.100 0.131 0.000 0.620 360 G HN 2.486 nan 8.290 nan 0.000 0.529 361 K N 0.589 120.858 120.400 -0.219 0.000 2.259 361 K HA 0.867 5.187 4.320 0.000 0.000 0.249 361 K C 0.533 176.552 176.600 -0.969 0.000 0.942 361 K CA -0.170 55.883 56.287 -0.391 0.000 0.816 361 K CB 0.719 33.085 32.500 -0.223 0.000 1.155 361 K HN 0.656 nan 8.250 nan 0.000 0.428 362 R N 0.927 120.972 120.500 -0.759 0.000 2.863 362 R HA 0.155 4.495 4.340 0.000 0.000 0.273 362 R C 0.412 176.552 176.300 -0.266 0.000 1.057 362 R CA -0.409 55.355 56.100 -0.560 0.000 1.191 362 R CB 0.246 30.477 30.300 -0.115 0.000 1.104 362 R HN 0.781 nan 8.270 nan 0.000 0.519 363 H N -0.910 118.063 119.070 -0.161 0.000 2.570 363 H HA 0.262 4.818 4.556 0.000 0.000 0.342 363 H C 0.391 175.669 175.328 -0.083 0.000 1.245 363 H CA 0.082 56.070 56.048 -0.100 0.000 1.318 363 H CB 1.913 31.672 29.762 -0.005 0.000 1.694 363 H HN 0.636 nan 8.280 nan 0.000 0.592 364 A N 1.838 124.348 122.820 -0.516 0.000 1.970 364 A HA -0.020 4.301 4.320 0.000 0.000 0.216 364 A C 2.585 180.128 177.584 -0.069 0.000 1.170 364 A CA 1.322 53.191 52.037 -0.280 0.000 0.645 364 A CB -1.071 17.699 19.000 -0.382 0.000 0.816 364 A HN 0.557 nan 8.150 nan 0.000 0.447 365 L N -1.335 119.960 121.223 0.119 0.000 2.456 365 L HA 0.402 4.742 4.340 0.000 0.000 0.224 365 L C 1.742 178.638 176.870 0.044 0.000 1.148 365 L CA 1.501 56.290 54.840 -0.086 0.000 0.825 365 L CB -2.205 39.453 42.059 -0.669 0.000 0.937 365 L HN 1.663 nan 8.230 nan 0.000 0.450 366 G N -2.540 106.333 108.800 0.121 0.000 2.750 366 G HA2 -0.168 3.792 3.960 0.000 0.000 0.228 366 G HA3 -0.168 3.792 3.960 0.000 0.000 0.228 366 G C 0.306 175.327 174.900 0.201 0.000 1.367 366 G CA 0.586 45.710 45.100 0.041 0.000 0.871 366 G HN 1.651 nan 8.290 nan 0.000 0.560 367 H N -1.935 117.230 119.070 0.157 0.000 1.456 367 H HA -0.308 4.249 4.556 0.000 0.000 0.090 367 H C 2.121 177.500 175.328 0.085 0.000 0.600 367 H CA 3.286 59.396 56.048 0.103 0.000 1.901 367 H CB -1.319 28.503 29.762 0.100 0.000 2.256 367 H HN 1.792 nan 8.280 nan 0.000 0.961 368 G N -0.448 108.480 108.800 0.213 0.000 3.528 368 G HA2 0.354 4.314 3.960 0.000 0.000 0.266 368 G HA3 0.354 4.314 3.960 0.000 0.000 0.266 368 G C -0.458 174.451 174.900 0.015 0.000 1.004 368 G CA -0.290 44.838 45.100 0.047 0.000 0.853 368 G HN 0.152 nan 8.290 nan 0.000 0.501 369 F N 0.451 120.485 119.950 0.140 0.000 2.418 369 F HA 0.637 5.164 4.527 0.000 0.000 0.341 369 F C -0.203 175.731 175.800 0.224 0.000 1.120 369 F CA -0.365 57.704 58.000 0.115 0.000 1.232 369 F CB 0.954 39.971 39.000 0.028 0.000 1.175 369 F HN -0.019 nan 8.300 nan 0.000 0.569 370 F N 1.520 121.601 119.950 0.217 0.000 2.605 370 F HA 0.252 4.779 4.527 0.000 0.000 0.320 370 F C -0.494 175.392 175.800 0.144 0.000 1.159 370 F CA -0.860 57.244 58.000 0.173 0.000 0.999 370 F CB 1.154 40.224 39.000 0.118 0.000 1.258 370 F HN 0.440 nan 8.300 nan 0.000 0.464 371 E N 6.902 127.131 120.200 0.048 0.000 2.480 371 E HA 0.081 4.431 4.350 0.000 0.000 0.258 371 E C -2.213 174.528 176.600 0.234 0.000 0.984 371 E CA -1.403 55.065 56.400 0.112 0.000 0.930 371 E CB 0.337 30.036 29.700 -0.003 0.000 0.936 371 E HN 0.162 nan 8.360 nan 0.000 0.466 372 P HA -0.044 nan 4.420 nan 0.000 0.262 372 P C -0.824 176.549 177.300 0.123 0.000 1.199 372 P CA 0.219 63.379 63.100 0.100 0.000 0.763 372 P CB 0.652 32.199 31.700 -0.255 0.000 0.790 373 T N 2.736 117.444 114.554 0.256 0.000 2.855 373 T HA 0.447 4.797 4.350 0.000 0.000 0.281 373 T C -0.005 174.800 174.700 0.175 0.000 1.007 373 T CA -0.485 61.738 62.100 0.204 0.000 1.009 373 T CB 1.275 70.302 68.868 0.264 0.000 0.983 373 T HN 0.066 nan 8.240 nan 0.000 0.455 374 V N 3.716 123.679 119.914 0.082 0.000 2.680 374 V HA 0.610 4.730 4.120 0.000 0.000 0.309 374 V C -0.583 175.520 176.094 0.015 0.000 1.052 374 V CA -0.845 61.469 62.300 0.023 0.000 0.908 374 V CB 1.863 33.651 31.823 -0.058 0.000 1.001 374 V HN 0.703 nan 8.190 nan 0.000 0.431 375 L N 3.482 124.706 121.223 0.002 0.000 2.408 375 L HA 0.735 5.075 4.340 0.000 0.000 0.268 375 L C -0.048 176.817 176.870 -0.008 0.000 0.986 375 L CA -0.345 54.497 54.840 0.003 0.000 0.820 375 L CB 2.792 44.857 42.059 0.009 0.000 1.303 375 L HN 0.860 nan 8.230 nan 0.000 0.411 376 T N -2.128 112.434 114.554 0.015 0.000 2.942 376 T HA 0.607 4.957 4.350 0.000 0.000 0.289 376 T C 0.607 175.339 174.700 0.053 0.000 1.044 376 T CA -0.195 61.957 62.100 0.086 0.000 1.023 376 T CB 1.770 70.717 68.868 0.131 0.000 1.123 376 T HN 0.940 nan 8.240 nan 0.000 0.512 377 G N 0.596 109.463 108.800 0.111 0.000 2.372 377 G HA2 -0.095 3.865 3.960 0.000 0.000 0.290 377 G HA3 -0.095 3.865 3.960 0.000 0.000 0.290 377 G C -0.120 174.712 174.900 -0.112 0.000 0.965 377 G CA 0.086 45.174 45.100 -0.019 0.000 1.263 377 G HN 0.990 nan 8.290 nan 0.000 0.498 378 V N 0.006 119.771 119.914 -0.248 0.000 2.617 378 V HA 0.917 5.037 4.120 0.000 0.000 0.298 378 V C 0.634 176.450 176.094 -0.464 0.000 1.048 378 V CA 0.219 62.230 62.300 -0.483 0.000 0.964 378 V CB 1.554 32.817 31.823 -0.933 0.000 1.004 378 V HN 1.039 nan 8.190 nan 0.000 0.466 379 K N 4.139 124.366 120.400 -0.289 0.000 2.371 379 K HA 0.636 4.956 4.320 0.000 0.000 0.251 379 K C -2.166 174.505 176.600 0.117 0.000 0.934 379 K CA -1.684 54.580 56.287 -0.039 0.000 0.798 379 K CB 1.135 33.633 32.500 -0.003 0.000 1.204 379 K HN 0.459 nan 8.250 nan 0.000 0.427 380 P HA -0.296 nan 4.420 nan 0.000 0.219 380 P C 0.619 178.027 177.300 0.180 0.000 1.153 380 P CA 1.974 65.258 63.100 0.308 0.000 0.865 380 P CB 0.053 31.893 31.700 0.232 0.000 0.788 381 D N -1.724 118.745 120.400 0.115 0.000 2.384 381 D HA -0.125 4.515 4.640 0.000 0.000 0.222 381 D C 0.920 177.257 176.300 0.062 0.000 0.976 381 D CA 0.645 54.691 54.000 0.076 0.000 0.915 381 D CB -0.929 39.903 40.800 0.053 0.000 0.896 381 D HN 0.224 nan 8.370 nan 0.000 0.523 382 M N 0.058 119.696 119.600 0.064 0.000 2.245 382 M HA 0.154 4.634 4.480 0.000 0.000 0.292 382 M C 0.779 177.098 176.300 0.031 0.000 1.176 382 M CA -0.623 54.694 55.300 0.029 0.000 1.035 382 M CB 0.799 33.386 32.600 -0.020 0.000 1.440 382 M HN -0.329 nan 8.290 nan 0.000 0.494 383 D N 0.370 120.753 120.400 -0.028 0.000 2.110 383 D HA -0.096 4.544 4.640 0.000 0.000 0.202 383 D C 1.764 177.935 176.300 -0.216 0.000 0.975 383 D CA 1.007 54.961 54.000 -0.076 0.000 0.839 383 D CB -0.199 40.566 40.800 -0.058 0.000 0.996 383 D HN 0.365 nan 8.370 nan 0.000 0.464 384 V N 0.832 120.505 119.914 -0.402 0.000 2.982 384 V HA -0.209 3.911 4.120 0.000 0.000 0.265 384 V C 1.956 178.082 176.094 0.054 0.000 1.122 384 V CA 1.816 63.911 62.300 -0.340 0.000 1.143 384 V CB -0.488 31.214 31.823 -0.201 0.000 0.726 384 V HN 0.178 nan 8.190 nan 0.000 0.507 385 A N -0.249 122.671 122.820 0.167 0.000 1.929 385 A HA -0.024 4.296 4.320 0.000 0.000 0.216 385 A C 2.290 179.969 177.584 0.159 0.000 1.176 385 A CA 1.895 54.101 52.037 0.281 0.000 0.628 385 A CB -0.446 18.775 19.000 0.368 0.000 0.816 385 A HN 0.623 nan 8.150 nan 0.000 0.444 386 K N -0.270 120.211 120.400 0.134 0.000 2.355 386 K HA 0.351 4.671 4.320 0.000 0.000 0.198 386 K C 0.468 177.202 176.600 0.224 0.000 1.039 386 K CA 0.483 56.871 56.287 0.168 0.000 1.075 386 K CB 0.105 32.685 32.500 0.134 0.000 0.870 386 K HN 0.631 nan 8.250 nan 0.000 0.540 387 E N -0.237 120.057 120.200 0.158 0.000 2.336 387 E HA 0.297 4.647 4.350 0.000 0.000 0.267 387 E C -1.415 175.302 176.600 0.195 0.000 0.906 387 E CA -0.709 55.809 56.400 0.197 0.000 0.781 387 E CB 2.126 31.992 29.700 0.277 0.000 1.261 387 E HN 0.404 nan 8.360 nan 0.000 0.436 388 E N 0.251 120.555 120.200 0.174 0.000 2.259 388 E HA 0.106 4.456 4.350 0.000 0.000 0.281 388 E C 0.194 177.019 176.600 0.376 0.000 1.027 388 E CA 0.054 56.581 56.400 0.212 0.000 0.838 388 E CB 1.013 30.816 29.700 0.171 0.000 1.066 388 E HN 0.422 nan 8.360 nan 0.000 0.401 389 T N 3.518 118.281 114.554 0.348 0.000 2.698 389 T HA -0.082 4.268 4.350 0.000 0.000 0.260 389 T C 0.388 175.229 174.700 0.235 0.000 1.044 389 T CA 0.495 62.758 62.100 0.271 0.000 1.149 389 T CB -0.231 68.787 68.868 0.251 0.000 0.864 389 T HN 0.689 nan 8.240 nan 0.000 0.419 390 F N 0.790 120.754 119.950 0.023 0.000 2.965 390 F HA -0.128 4.399 4.527 0.000 0.000 0.287 390 F C 0.820 176.644 175.800 0.040 0.000 0.790 390 F CA 0.463 58.490 58.000 0.045 0.000 1.279 390 F CB -1.392 37.657 39.000 0.081 0.000 1.409 390 F HN 0.445 nan 8.300 nan 0.000 0.446 391 G N -1.216 107.627 108.800 0.072 0.000 2.975 391 G HA2 0.746 4.706 3.960 0.000 0.000 0.291 391 G HA3 0.746 4.706 3.960 0.000 0.000 0.291 391 G C -3.050 171.867 174.900 0.028 0.000 1.334 391 G CA -0.778 44.333 45.100 0.018 0.000 0.843 391 G HN -0.205 nan 8.290 nan 0.000 0.548 392 P HA 0.378 nan 4.420 nan 0.000 0.203 392 P C -1.072 176.413 177.300 0.309 0.000 1.874 392 P CA -0.293 62.953 63.100 0.242 0.000 1.058 392 P CB 0.532 32.454 31.700 0.371 0.000 1.848 393 L N 0.812 122.114 121.223 0.133 0.000 2.406 393 L HA 0.767 5.107 4.340 0.000 0.000 0.270 393 L C -0.701 176.246 176.870 0.128 0.000 0.982 393 L CA -0.981 53.954 54.840 0.158 0.000 0.843 393 L CB 1.496 43.632 42.059 0.130 0.000 1.225 393 L HN 0.104 nan 8.230 nan 0.000 0.412 394 A N 7.058 129.965 122.820 0.146 0.000 2.506 394 A HA 0.729 5.049 4.320 0.000 0.000 0.320 394 A C -2.501 175.163 177.584 0.133 0.000 1.424 394 A CA -1.172 50.952 52.037 0.146 0.000 1.044 394 A CB -0.511 18.422 19.000 -0.112 0.000 1.140 394 A HN 0.527 nan 8.150 nan 0.000 0.538 395 P HA 0.342 nan 4.420 nan 0.000 0.294 395 P C -0.695 176.738 177.300 0.221 0.000 1.389 395 P CA -0.147 63.043 63.100 0.151 0.000 0.875 395 P CB 0.885 32.671 31.700 0.143 0.000 1.018 396 L N 4.774 126.050 121.223 0.088 0.000 2.278 396 L HA 0.382 4.722 4.340 0.000 0.000 0.287 396 L C 0.420 177.378 176.870 0.146 0.000 1.072 396 L CA -0.430 54.505 54.840 0.158 0.000 0.819 396 L CB -0.293 41.755 42.059 -0.018 0.000 1.176 396 L HN 0.227 nan 8.230 nan 0.000 0.435 397 F N 2.496 122.452 119.950 0.010 0.000 2.377 397 F HA 0.508 5.035 4.527 0.000 0.000 0.328 397 F C 0.696 176.676 175.800 0.300 0.000 1.094 397 F CA -0.582 57.411 58.000 -0.012 0.000 1.093 397 F CB 1.188 39.863 39.000 -0.542 0.000 1.214 397 F HN 0.448 nan 8.300 nan 0.000 0.518 398 R N 2.737 123.500 120.500 0.439 0.000 2.589 398 R HA 0.614 4.954 4.340 0.000 0.000 0.293 398 R C -1.537 174.996 176.300 0.389 0.000 0.963 398 R CA -0.514 55.776 56.100 0.316 0.000 0.905 398 R CB 1.338 31.537 30.300 -0.168 0.000 1.144 398 R HN 0.694 nan 8.270 nan 0.000 0.459 399 F N 0.497 120.507 119.950 0.099 0.000 2.664 399 F HA 0.754 5.281 4.527 0.000 0.000 0.317 399 F C -0.693 174.984 175.800 -0.204 0.000 1.108 399 F CA -0.623 57.374 58.000 -0.006 0.000 0.957 399 F CB 1.694 40.707 39.000 0.020 0.000 1.365 399 F HN 0.468 nan 8.300 nan 0.000 0.475 400 A N 0.355 123.053 122.820 -0.204 0.000 2.340 400 A HA 0.578 4.898 4.320 0.000 0.000 0.213 400 A C 0.038 177.514 177.584 -0.180 0.000 1.299 400 A CA 0.665 52.511 52.037 -0.318 0.000 0.994 400 A CB -0.463 18.485 19.000 -0.085 0.000 1.132 400 A HN 1.172 nan 8.150 nan 0.000 0.519 401 S N -1.374 114.381 115.700 0.091 0.000 2.564 401 S HA 0.458 4.928 4.470 0.000 0.000 0.274 401 S C 0.304 175.130 174.600 0.376 0.000 1.124 401 S CA 0.146 58.472 58.200 0.210 0.000 0.869 401 S CB 1.604 64.888 63.200 0.141 0.000 1.105 401 S HN 0.223 nan 8.310 nan 0.000 0.472 402 E N 0.858 121.305 120.200 0.412 0.000 2.097 402 E HA -0.248 4.102 4.350 0.000 0.000 0.196 402 E C 1.558 178.264 176.600 0.176 0.000 1.000 402 E CA 1.720 58.355 56.400 0.393 0.000 0.804 402 E CB -0.069 29.800 29.700 0.283 0.000 0.740 402 E HN 0.786 nan 8.360 nan 0.000 0.454 403 E N 0.092 120.368 120.200 0.125 0.000 2.072 403 E HA -0.215 4.135 4.350 0.000 0.000 0.191 403 E C 2.045 178.661 176.600 0.026 0.000 0.985 403 E CA 0.879 57.315 56.400 0.060 0.000 0.801 403 E CB 0.003 29.735 29.700 0.054 0.000 0.750 403 E HN 0.316 nan 8.360 nan 0.000 0.452 404 E N 0.557 120.789 120.200 0.053 0.000 2.038 404 E HA -0.227 4.123 4.350 0.000 0.000 0.195 404 E C 2.378 178.924 176.600 -0.090 0.000 1.000 404 E CA 1.056 57.471 56.400 0.025 0.000 0.803 404 E CB -0.126 29.636 29.700 0.102 0.000 0.750 404 E HN 0.147 nan 8.360 nan 0.000 0.448 405 L N 0.650 121.770 121.223 -0.173 0.000 1.971 405 L HA -0.233 4.107 4.340 0.000 0.000 0.215 405 L C 2.435 179.027 176.870 -0.462 0.000 1.072 405 L CA 1.694 56.193 54.840 -0.569 0.000 0.758 405 L CB -0.599 40.930 42.059 -0.884 0.000 0.889 405 L HN 0.049 nan 8.230 nan 0.000 0.433 406 V N 0.030 119.796 119.914 -0.247 0.000 2.317 406 V HA -0.373 3.748 4.120 0.000 0.000 0.251 406 V C 2.819 178.808 176.094 -0.175 0.000 1.065 406 V CA 2.385 64.580 62.300 -0.175 0.000 1.049 406 V CB -0.806 30.971 31.823 -0.075 0.000 0.651 406 V HN 0.531 nan 8.190 nan 0.000 0.450 407 R N -0.781 119.630 120.500 -0.148 0.000 2.070 407 R HA -0.139 4.202 4.340 0.000 0.000 0.233 407 R C 2.298 178.499 176.300 -0.165 0.000 1.137 407 R CA 1.509 57.538 56.100 -0.119 0.000 0.945 407 R CB -0.291 29.968 30.300 -0.069 0.000 0.845 407 R HN 0.312 nan 8.270 nan 0.000 0.430 408 L N 0.655 121.730 121.223 -0.246 0.000 2.012 408 L HA -0.146 4.194 4.340 0.000 0.000 0.210 408 L C 2.525 179.137 176.870 -0.430 0.000 1.073 408 L CA 2.123 56.779 54.840 -0.307 0.000 0.748 408 L CB -1.480 40.318 42.059 -0.435 0.000 0.891 408 L HN 0.294 nan 8.230 nan 0.000 0.431 409 A N -0.629 121.830 122.820 -0.601 0.000 1.930 409 A HA -0.161 4.159 4.320 0.000 0.000 0.217 409 A C 1.957 179.490 177.584 -0.085 0.000 1.175 409 A CA 1.546 53.315 52.037 -0.447 0.000 0.627 409 A CB -0.411 18.312 19.000 -0.463 0.000 0.815 409 A HN 0.489 nan 8.150 nan 0.000 0.443 410 N N 0.056 118.693 118.700 -0.104 0.000 2.412 410 N HA -0.016 4.724 4.740 0.000 0.000 0.184 410 N C -0.197 175.254 175.510 -0.097 0.000 1.101 410 N CA 0.490 53.488 53.050 -0.087 0.000 0.881 410 N CB -0.097 38.330 38.487 -0.102 0.000 0.969 410 N HN 0.467 nan 8.380 nan 0.000 0.459 411 D N 0.868 121.222 120.400 -0.077 0.000 2.551 411 D HA 0.116 4.756 4.640 0.000 0.000 0.223 411 D C -0.692 175.591 176.300 -0.028 0.000 1.144 411 D CA 0.208 54.175 54.000 -0.054 0.000 1.025 411 D CB -0.120 40.658 40.800 -0.036 0.000 1.085 411 D HN -0.088 nan 8.370 nan 0.000 0.506 412 T N -0.011 114.506 114.554 -0.062 0.000 2.907 412 T HA 0.426 4.776 4.350 0.000 0.000 0.344 412 T C 0.736 175.314 174.700 -0.202 0.000 1.675 412 T CA 0.123 62.188 62.100 -0.059 0.000 1.076 412 T CB 0.676 69.596 68.868 0.087 0.000 1.483 412 T HN 0.041 nan 8.240 nan 0.000 0.487 413 E N 1.764 121.715 120.200 -0.415 0.000 2.347 413 E HA 0.265 4.615 4.350 0.000 0.000 0.196 413 E C 0.176 176.396 176.600 -0.633 0.000 1.008 413 E CA 0.990 57.022 56.400 -0.613 0.000 0.852 413 E CB -0.355 28.843 29.700 -0.838 0.000 0.783 413 E HN 0.502 nan 8.360 nan 0.000 0.505 414 F N -1.272 118.632 119.950 -0.077 0.000 2.457 414 F HA 0.676 5.203 4.527 0.000 0.000 0.330 414 F C 1.227 176.890 175.800 -0.228 0.000 1.069 414 F CA -0.838 57.110 58.000 -0.087 0.000 1.009 414 F CB 2.271 41.270 39.000 -0.003 0.000 1.276 414 F HN -0.033 nan 8.300 nan 0.000 0.492 415 G N 0.883 109.671 108.800 -0.021 0.000 4.341 415 G HA2 0.361 4.321 3.960 0.000 0.000 0.252 415 G HA3 0.361 4.321 3.960 0.000 0.000 0.252 415 G C -0.798 174.082 174.900 -0.034 0.000 2.181 415 G CA -0.153 44.730 45.100 -0.362 0.000 0.602 415 G HN 0.555 nan 8.290 nan 0.000 0.346 416 L N 1.152 122.482 121.223 0.179 0.000 2.496 416 L HA 0.897 5.237 4.340 0.000 0.000 0.189 416 L C 1.393 178.255 176.870 -0.013 0.000 1.308 416 L CA 1.183 56.047 54.840 0.039 0.000 0.912 416 L CB -0.087 41.966 42.059 -0.009 0.000 1.148 416 L HN 0.398 nan 8.230 nan 0.000 0.537 417 A N -0.844 121.909 122.820 -0.112 0.000 2.311 417 A HA 0.852 5.173 4.320 0.000 0.000 0.334 417 A C -0.924 176.293 177.584 -0.611 0.000 1.139 417 A CA 0.072 51.880 52.037 -0.381 0.000 0.830 417 A CB 0.915 19.657 19.000 -0.431 0.000 1.234 417 A HN 0.579 nan 8.150 nan 0.000 0.483 418 A N -0.003 122.277 122.820 -0.900 0.000 2.587 418 A HA 0.790 5.110 4.320 0.000 0.000 0.293 418 A C -1.747 175.222 177.584 -1.026 0.000 1.087 418 A CA -0.453 51.018 52.037 -0.945 0.000 0.692 418 A CB 0.968 19.332 19.000 -1.061 0.000 1.291 418 A HN 0.909 nan 8.150 nan 0.000 0.407 419 Y N -0.337 119.738 120.300 -0.374 0.000 2.492 419 Y HA 0.626 5.176 4.550 0.000 0.000 0.346 419 Y C -0.426 175.197 175.900 -0.462 0.000 0.997 419 Y CA -0.869 56.983 58.100 -0.413 0.000 1.025 419 Y CB 2.290 40.474 38.460 -0.461 0.000 1.263 419 Y HN 0.800 nan 8.280 nan 0.000 0.454 420 L N 0.719 121.786 121.223 -0.260 0.000 2.438 420 L HA 0.669 5.009 4.340 0.000 0.000 0.270 420 L C -2.248 174.537 176.870 -0.142 0.000 0.972 420 L CA -0.898 53.853 54.840 -0.149 0.000 0.831 420 L CB 1.357 43.387 42.059 -0.049 0.000 1.273 420 L HN 0.547 nan 8.230 nan 0.000 0.405 421 Y N 2.662 122.931 120.300 -0.051 0.000 2.342 421 Y HA 0.769 5.319 4.550 0.000 0.000 0.338 421 Y C 0.585 176.601 175.900 0.195 0.000 0.965 421 Y CA 0.110 58.242 58.100 0.053 0.000 1.159 421 Y CB 1.961 40.459 38.460 0.064 0.000 1.157 421 Y HN 0.914 nan 8.280 nan 0.000 0.486 422 S N 2.389 118.219 115.700 0.217 0.000 2.567 422 S HA 0.473 4.943 4.470 0.000 0.000 0.270 422 S C -0.263 174.384 174.600 0.080 0.000 1.152 422 S CA -0.773 57.528 58.200 0.168 0.000 0.835 422 S CB 1.600 64.828 63.200 0.047 0.000 1.115 422 S HN 0.676 nan 8.310 nan 0.000 0.459 423 R N 1.212 121.752 120.500 0.065 0.000 2.279 423 R HA 0.350 4.690 4.340 0.000 0.000 0.195 423 R C -0.370 175.945 176.300 0.025 0.000 0.905 423 R CA 0.352 56.483 56.100 0.051 0.000 1.044 423 R CB -0.004 30.334 30.300 0.064 0.000 1.056 423 R HN 0.707 nan 8.270 nan 0.000 0.535 424 D N 0.268 120.667 120.400 -0.001 0.000 2.338 424 D HA -0.005 4.635 4.640 0.000 0.000 0.255 424 D C 1.352 177.654 176.300 0.003 0.000 1.237 424 D CA -0.001 53.990 54.000 -0.013 0.000 0.883 424 D CB 0.451 41.223 40.800 -0.046 0.000 1.087 424 D HN -0.035 nan 8.370 nan 0.000 0.485 425 I N 4.032 124.619 120.570 0.028 0.000 2.248 425 I HA -0.172 3.998 4.170 0.000 0.000 0.248 425 I C 1.795 177.972 176.117 0.100 0.000 1.107 425 I CA 1.432 62.780 61.300 0.081 0.000 1.373 425 I CB -0.664 37.361 38.000 0.042 0.000 1.055 425 I HN 0.672 nan 8.210 nan 0.000 0.418 426 G N 0.239 109.051 108.800 0.021 0.000 2.421 426 G HA2 -0.290 3.670 3.960 0.000 0.000 0.216 426 G HA3 -0.290 3.670 3.960 0.000 0.000 0.216 426 G C 1.846 176.761 174.900 0.025 0.000 1.171 426 G CA 0.756 45.863 45.100 0.012 0.000 0.775 426 G HN 0.324 nan 8.290 nan 0.000 0.543 427 R N -0.089 120.385 120.500 -0.044 0.000 2.080 427 R HA -0.072 4.268 4.340 0.000 0.000 0.236 427 R C 2.707 178.947 176.300 -0.099 0.000 1.137 427 R CA 1.694 57.707 56.100 -0.145 0.000 0.943 427 R CB -0.531 29.582 30.300 -0.313 0.000 0.846 427 R HN 0.223 nan 8.270 nan 0.000 0.431 428 V N -0.200 119.693 119.914 -0.035 0.000 2.252 428 V HA -0.300 3.820 4.120 0.000 0.000 0.249 428 V C 1.973 178.054 176.094 -0.021 0.000 1.056 428 V CA 2.187 64.471 62.300 -0.026 0.000 1.022 428 V CB -0.708 31.122 31.823 0.011 0.000 0.641 428 V HN 0.481 nan 8.190 nan 0.000 0.445 429 W N 0.166 121.420 121.300 -0.075 0.000 2.381 429 W HA -0.043 4.618 4.660 0.000 0.000 0.301 429 W C 2.816 179.302 176.519 -0.054 0.000 1.205 429 W CA 1.408 58.717 57.345 -0.059 0.000 1.285 429 W CB -0.426 29.005 29.460 -0.049 0.000 1.133 429 W HN 0.040 nan 8.180 nan 0.000 0.521 430 R N -0.338 120.258 120.500 0.160 0.000 2.080 430 R HA -0.180 4.160 4.340 0.000 0.000 0.236 430 R C 1.934 178.248 176.300 0.023 0.000 1.137 430 R CA 2.050 58.194 56.100 0.074 0.000 0.943 430 R CB -1.217 29.104 30.300 0.036 0.000 0.846 430 R HN 0.091 nan 8.270 nan 0.000 0.431 431 V N 0.930 120.843 119.914 -0.002 0.000 2.295 431 V HA -0.249 3.871 4.120 0.000 0.000 0.246 431 V C 2.482 178.546 176.094 -0.051 0.000 1.049 431 V CA 1.926 64.223 62.300 -0.005 0.000 1.024 431 V CB -0.804 31.046 31.823 0.044 0.000 0.648 431 V HN 0.443 nan 8.190 nan 0.000 0.447 432 A N -0.369 122.388 122.820 -0.105 0.000 1.903 432 A HA -0.311 4.009 4.320 0.000 0.000 0.219 432 A C 2.164 179.667 177.584 -0.136 0.000 1.191 432 A CA 2.321 54.252 52.037 -0.177 0.000 0.638 432 A CB -0.532 18.274 19.000 -0.324 0.000 0.823 432 A HN 0.660 nan 8.150 nan 0.000 0.451 433 E N -0.858 119.287 120.200 -0.091 0.000 2.216 433 E HA 0.050 4.400 4.350 0.000 0.000 0.192 433 E C 2.142 178.721 176.600 -0.035 0.000 0.988 433 E CA 0.648 57.017 56.400 -0.052 0.000 0.834 433 E CB -0.171 29.534 29.700 0.009 0.000 0.772 433 E HN 0.632 nan 8.360 nan 0.000 0.479 434 A N 0.979 123.782 122.820 -0.028 0.000 2.067 434 A HA 0.033 4.353 4.320 0.000 0.000 0.217 434 A C 1.129 178.695 177.584 -0.029 0.000 1.156 434 A CA 0.076 52.096 52.037 -0.027 0.000 0.683 434 A CB -0.210 18.777 19.000 -0.020 0.000 0.808 434 A HN 0.081 nan 8.150 nan 0.000 0.455 435 L N 1.680 122.893 121.223 -0.016 0.000 2.534 435 L HA 0.028 4.369 4.340 0.000 0.000 0.271 435 L C 0.031 176.945 176.870 0.073 0.000 1.178 435 L CA -0.079 54.803 54.840 0.071 0.000 0.907 435 L CB 0.387 42.482 42.059 0.059 0.000 1.164 435 L HN 0.351 nan 8.230 nan 0.000 0.482 436 E N 4.953 125.131 120.200 -0.036 0.000 1.972 436 E HA 0.152 4.502 4.350 0.000 0.000 0.292 436 E C -1.355 174.892 176.600 -0.587 0.000 1.193 436 E CA 0.046 56.285 56.400 -0.268 0.000 1.228 436 E CB -0.031 29.483 29.700 -0.310 0.000 1.167 436 E HN 0.364 nan 8.360 nan 0.000 0.479 437 Y N -1.433 118.782 120.300 -0.142 0.000 2.534 437 Y HA 0.283 4.833 4.550 0.000 0.000 0.345 437 Y C 1.331 177.122 175.900 -0.183 0.000 1.031 437 Y CA -1.010 56.993 58.100 -0.163 0.000 1.022 437 Y CB 1.723 40.062 38.460 -0.201 0.000 1.292 437 Y HN 0.230 nan 8.280 nan 0.000 0.459 438 G N 1.471 110.240 108.800 -0.051 0.000 2.443 438 G HA2 -0.012 3.948 3.960 0.000 0.000 0.219 438 G HA3 -0.012 3.948 3.960 0.000 0.000 0.219 438 G C 0.117 174.911 174.900 -0.177 0.000 1.131 438 G CA 0.686 45.708 45.100 -0.130 0.000 0.775 438 G HN 0.448 nan 8.290 nan 0.000 0.547 439 M N -0.248 119.231 119.600 -0.202 0.000 2.378 439 M HA 0.482 4.962 4.480 0.000 0.000 0.289 439 M C -1.760 174.333 176.300 -0.346 0.000 1.136 439 M CA -0.449 54.678 55.300 -0.288 0.000 0.917 439 M CB 3.650 36.010 32.600 -0.400 0.000 1.669 439 M HN -0.253 nan 8.290 nan 0.000 0.461 440 V N 1.601 121.314 119.914 -0.335 0.000 2.482 440 V HA 0.659 4.779 4.120 0.000 0.000 0.295 440 V C 0.083 175.971 176.094 -0.343 0.000 1.026 440 V CA -0.762 61.304 62.300 -0.390 0.000 0.856 440 V CB 1.981 33.617 31.823 -0.313 0.000 1.001 440 V HN 0.994 nan 8.190 nan 0.000 0.424 441 G N 4.982 113.550 108.800 -0.387 0.000 2.338 441 G HA2 0.616 4.576 3.960 0.000 0.000 0.295 441 G HA3 0.616 4.576 3.960 0.000 0.000 0.295 441 G C -0.566 174.209 174.900 -0.208 0.000 1.132 441 G CA -0.295 44.700 45.100 -0.174 0.000 0.922 441 G HN 0.650 nan 8.290 nan 0.000 0.427 442 I N 2.849 123.283 120.570 -0.228 0.000 2.306 442 I HA 0.139 4.309 4.170 0.000 0.000 0.288 442 I C 0.020 175.918 176.117 -0.364 0.000 1.036 442 I CA -0.597 60.533 61.300 -0.283 0.000 1.221 442 I CB 0.968 38.828 38.000 -0.233 0.000 1.385 442 I HN 0.491 nan 8.210 nan 0.000 0.472 443 N N 2.437 120.710 118.700 -0.712 0.000 2.747 443 N HA -0.180 4.560 4.740 0.000 0.000 0.249 443 N C -0.206 174.907 175.510 -0.661 0.000 1.107 443 N CA 1.227 53.626 53.050 -1.085 0.000 0.707 443 N CB -0.954 37.288 38.487 -0.408 0.000 1.054 443 N HN 0.713 nan 8.380 nan 0.000 0.555 444 T N -2.733 111.563 114.554 -0.431 0.000 2.942 444 T HA 0.573 4.923 4.350 0.000 0.000 0.327 444 T C 0.657 175.489 174.700 0.221 0.000 1.360 444 T CA 0.095 62.228 62.100 0.056 0.000 1.055 444 T CB 1.326 70.224 68.868 0.050 0.000 1.261 444 T HN 0.086 nan 8.240 nan 0.000 0.485 445 G N 2.182 111.150 108.800 0.280 0.000 3.337 445 G HA2 0.418 4.378 3.960 0.000 0.000 0.246 445 G HA3 0.418 4.378 3.960 0.000 0.000 0.246 445 G C -0.075 174.878 174.900 0.090 0.000 1.131 445 G CA -0.076 45.079 45.100 0.093 0.000 0.773 445 G HN 0.580 nan 8.290 nan 0.000 0.544 446 L N 1.468 122.782 121.223 0.151 0.000 2.342 446 L HA 0.474 4.814 4.340 0.000 0.000 0.276 446 L C 0.671 177.606 176.870 0.108 0.000 0.997 446 L CA -0.627 54.281 54.840 0.113 0.000 0.838 446 L CB 1.746 43.842 42.059 0.062 0.000 1.224 446 L HN 0.252 nan 8.230 nan 0.000 0.416 447 I N -2.427 118.217 120.570 0.124 0.000 4.403 447 I HA 0.253 4.423 4.170 0.000 0.000 0.331 447 I C 0.491 176.664 176.117 0.094 0.000 1.327 447 I CA -0.049 61.300 61.300 0.080 0.000 1.175 447 I CB 0.993 39.017 38.000 0.041 0.000 1.165 447 I HN 0.303 nan 8.210 nan 0.000 0.413 448 S N 3.693 119.455 115.700 0.102 0.000 2.481 448 S HA 0.289 4.759 4.470 0.000 0.000 0.282 448 S C -0.247 174.361 174.600 0.013 0.000 1.243 448 S CA -0.127 58.141 58.200 0.115 0.000 1.078 448 S CB -0.379 62.751 63.200 -0.117 0.000 0.916 448 S HN 0.799 nan 8.310 nan 0.000 0.495 449 N N 0.824 119.605 118.700 0.134 0.000 2.934 449 N HA 0.266 5.006 4.740 0.000 0.000 0.253 449 N C 0.221 175.641 175.510 -0.149 0.000 1.466 449 N CA -0.918 52.145 53.050 0.022 0.000 0.858 449 N CB 0.647 39.088 38.487 -0.077 0.000 1.459 449 N HN 0.278 nan 8.380 nan 0.000 0.532 450 E N -0.077 119.801 120.200 -0.537 0.000 2.385 450 E HA -0.051 4.299 4.350 0.000 0.000 0.194 450 E C 1.107 177.053 176.600 -1.091 0.000 1.013 450 E CA 0.968 56.788 56.400 -0.966 0.000 0.866 450 E CB -0.092 28.800 29.700 -1.346 0.000 0.832 450 E HN 0.455 nan 8.360 nan 0.000 0.500 451 V N 0.016 119.386 119.914 -0.906 0.000 3.052 451 V HA 0.372 4.492 4.120 0.000 0.000 0.254 451 V C 1.007 176.867 176.094 -0.391 0.000 1.100 451 V CA 0.550 62.256 62.300 -0.989 0.000 1.112 451 V CB -0.146 31.284 31.823 -0.656 0.000 0.738 451 V HN 0.296 nan 8.190 nan 0.000 0.469 452 A N 2.012 124.708 122.820 -0.207 0.000 2.293 452 A HA 0.811 5.131 4.320 0.000 0.000 0.302 452 A C -2.709 174.913 177.584 0.064 0.000 1.119 452 A CA -1.800 50.219 52.037 -0.030 0.000 0.823 452 A CB 0.476 19.473 19.000 -0.005 0.000 1.097 452 A HN 0.416 nan 8.150 nan 0.000 0.491 453 P HA 0.362 nan 4.420 nan 0.000 0.293 453 P C -1.258 176.109 177.300 0.111 0.000 1.313 453 P CA 0.035 63.214 63.100 0.130 0.000 0.787 453 P CB 0.397 32.125 31.700 0.047 0.000 0.910 454 F N 3.722 123.686 119.950 0.023 0.000 2.411 454 F HA 0.703 5.231 4.527 0.000 0.000 0.352 454 F C 0.479 176.270 175.800 -0.015 0.000 1.123 454 F CA 0.586 58.590 58.000 0.006 0.000 1.044 454 F CB 1.269 40.297 39.000 0.046 0.000 1.135 454 F HN 0.604 nan 8.300 nan 0.000 0.461 455 G N 2.694 111.402 108.800 -0.152 0.000 2.325 455 G HA2 0.442 4.402 3.960 0.000 0.000 0.297 455 G HA3 0.442 4.402 3.960 0.000 0.000 0.297 455 G C -1.423 173.394 174.900 -0.138 0.000 1.448 455 G CA -0.281 44.780 45.100 -0.064 0.000 0.838 455 G HN 0.921 nan 8.290 nan 0.000 0.579 456 G N -1.583 107.172 108.800 -0.074 0.000 2.491 456 G HA2 0.889 4.849 3.960 0.000 0.000 0.327 456 G HA3 0.889 4.849 3.960 0.000 0.000 0.327 456 G C 0.124 174.980 174.900 -0.073 0.000 1.189 456 G CA 0.125 45.183 45.100 -0.071 0.000 0.956 456 G HN 1.852 nan 8.290 nan 0.000 0.491 457 V N -2.094 117.763 119.914 -0.094 0.000 3.177 457 V HA 0.829 4.949 4.120 0.000 0.000 0.319 457 V C 0.766 176.796 176.094 -0.106 0.000 1.125 457 V CA -0.330 61.905 62.300 -0.108 0.000 1.029 457 V CB 1.102 32.840 31.823 -0.142 0.000 1.119 457 V HN 1.076 nan 8.190 nan 0.000 0.452 458 K N -0.502 119.832 120.400 -0.110 0.000 1.751 458 K HA -0.297 4.023 4.320 0.000 0.000 0.134 458 K C 1.060 177.613 176.600 -0.079 0.000 1.167 458 K CA 2.170 58.387 56.287 -0.117 0.000 0.330 458 K CB -1.279 31.118 32.500 -0.172 0.000 0.663 458 K HN 0.885 nan 8.250 nan 0.000 0.817 459 Q N 0.343 120.092 119.800 -0.085 0.000 2.246 459 Q HA 0.186 4.526 4.340 0.000 0.000 0.202 459 Q C 0.467 176.545 176.000 0.130 0.000 0.883 459 Q CA 0.093 55.880 55.803 -0.026 0.000 0.952 459 Q CB 0.703 29.357 28.738 -0.140 0.000 1.078 459 Q HN 0.297 nan 8.270 nan 0.000 0.493 460 S N 0.072 115.842 115.700 0.116 0.000 2.575 460 S HA 0.272 4.742 4.470 0.000 0.000 0.215 460 S C 0.604 175.247 174.600 0.072 0.000 0.966 460 S CA 0.453 58.735 58.200 0.138 0.000 0.911 460 S CB 0.600 63.860 63.200 0.100 0.000 0.780 460 S HN 0.631 nan 8.310 nan 0.000 0.514 461 G N 0.633 109.462 108.800 0.049 0.000 2.298 461 G HA2 0.105 4.065 3.960 0.000 0.000 0.309 461 G HA3 0.105 4.065 3.960 0.000 0.000 0.309 461 G C -2.063 172.844 174.900 0.012 0.000 1.279 461 G CA -1.102 44.023 45.100 0.043 0.000 1.042 461 G HN 0.210 nan 8.290 nan 0.000 0.480 462 L N 0.382 121.615 121.223 0.015 0.000 2.455 462 L HA 0.725 5.065 4.340 0.000 0.000 0.264 462 L C 0.651 177.520 176.870 -0.002 0.000 0.968 462 L CA 0.041 54.879 54.840 -0.003 0.000 0.827 462 L CB 1.857 43.913 42.059 -0.005 0.000 1.317 462 L HN 2.539 nan 8.230 nan 0.000 0.407 463 G N 1.925 110.718 108.800 -0.012 0.000 2.707 463 G HA2 -0.062 3.898 3.960 0.000 0.000 0.686 463 G HA3 -0.062 3.898 3.960 0.000 0.000 0.686 463 G C -1.484 173.426 174.900 0.017 0.000 1.315 463 G CA -0.964 44.136 45.100 -0.000 0.000 0.832 463 G HN 0.466 nan 8.290 nan 0.000 0.573 464 R N 0.243 120.775 120.500 0.054 0.000 2.807 464 R HA 0.644 4.984 4.340 0.000 0.000 0.276 464 R C -0.186 176.225 176.300 0.184 0.000 0.979 464 R CA -0.704 55.454 56.100 0.097 0.000 0.928 464 R CB 1.885 32.214 30.300 0.047 0.000 1.191 464 R HN 0.756 nan 8.270 nan 0.000 0.471 465 E N -0.214 120.124 120.200 0.229 0.000 2.263 465 E HA 0.585 4.935 4.350 0.000 0.000 0.264 465 E C -0.270 176.529 176.600 0.333 0.000 0.923 465 E CA -0.761 55.789 56.400 0.249 0.000 0.802 465 E CB 2.122 31.874 29.700 0.086 0.000 1.228 465 E HN 0.754 nan 8.360 nan 0.000 0.417 466 G N 1.566 110.653 108.800 0.478 0.000 2.860 466 G HA2 -0.094 3.867 3.960 0.000 0.000 0.553 466 G HA3 -0.094 3.867 3.960 0.000 0.000 0.553 466 G C 0.006 175.044 174.900 0.229 0.000 1.439 466 G CA -0.138 45.194 45.100 0.386 0.000 0.879 466 G HN 1.572 nan 8.290 nan 0.000 0.545 467 S N -2.462 113.174 115.700 -0.108 0.000 3.654 467 S HA -0.205 4.265 4.470 0.000 0.000 0.640 467 S C 1.038 175.921 174.600 0.472 0.000 2.223 467 S CA 1.840 60.133 58.200 0.155 0.000 2.391 467 S CB -1.106 62.144 63.200 0.083 0.000 0.328 467 S HN 2.820 nan 8.310 nan 0.000 1.790 468 H N -0.349 118.911 119.070 0.317 0.000 2.457 468 H HA 0.114 4.670 4.556 0.000 0.000 0.294 468 H C 1.615 177.017 175.328 0.124 0.000 1.064 468 H CA 1.700 57.826 56.048 0.129 0.000 1.330 468 H CB -0.700 29.017 29.762 -0.075 0.000 1.395 468 H HN 0.592 nan 8.280 nan 0.000 0.541 469 Y N 1.300 121.533 120.300 -0.112 0.000 2.352 469 Y HA 0.016 4.566 4.550 0.000 0.000 0.292 469 Y C 2.845 178.866 175.900 0.202 0.000 1.136 469 Y CA 1.015 59.130 58.100 0.024 0.000 1.227 469 Y CB -0.578 37.835 38.460 -0.080 0.000 0.991 469 Y HN 0.485 nan 8.280 nan 0.000 0.545 470 G N -0.334 108.754 108.800 0.480 0.000 2.470 470 G HA2 -0.230 3.730 3.960 0.000 0.000 0.220 470 G HA3 -0.230 3.730 3.960 0.000 0.000 0.220 470 G C 1.626 176.841 174.900 0.527 0.000 1.121 470 G CA 0.897 46.331 45.100 0.556 0.000 0.766 470 G HN 0.508 nan 8.290 nan 0.000 0.553 471 I N -0.199 120.690 120.570 0.532 0.000 3.228 471 I HA 0.066 4.236 4.170 0.000 0.000 0.279 471 I C 1.591 177.915 176.117 0.345 0.000 1.221 471 I CA 0.294 61.851 61.300 0.427 0.000 1.458 471 I CB 0.201 38.445 38.000 0.408 0.000 1.105 471 I HN -0.051 nan 8.210 nan 0.000 0.445 472 D N 1.330 121.904 120.400 0.290 0.000 2.133 472 D HA -0.227 4.413 4.640 0.000 0.000 0.195 472 D C 1.327 177.713 176.300 0.144 0.000 0.997 472 D CA 1.383 55.508 54.000 0.209 0.000 0.840 472 D CB -0.262 40.666 40.800 0.214 0.000 0.947 472 D HN 0.357 nan 8.370 nan 0.000 0.452 473 D N -1.131 119.329 120.400 0.100 0.000 2.349 473 D HA -0.045 4.595 4.640 0.000 0.000 0.224 473 D C 0.783 176.902 176.300 -0.302 0.000 1.029 473 D CA 0.294 54.229 54.000 -0.107 0.000 0.879 473 D CB 0.058 40.741 40.800 -0.195 0.000 0.906 473 D HN 0.406 nan 8.370 nan 0.000 0.528 474 Y N -0.118 120.206 120.300 0.040 0.000 2.445 474 Y HA 0.093 4.643 4.550 0.000 0.000 0.247 474 Y C 0.947 176.875 175.900 0.048 0.000 1.129 474 Y CA -0.423 57.688 58.100 0.019 0.000 1.251 474 Y CB 0.721 39.178 38.460 -0.004 0.000 1.176 474 Y HN -0.217 nan 8.280 nan 0.000 0.522 475 V N -2.065 117.958 119.914 0.181 0.000 2.850 475 V HA 0.744 4.864 4.120 0.000 0.000 0.315 475 V C -0.433 175.726 176.094 0.108 0.000 1.064 475 V CA -1.218 61.173 62.300 0.151 0.000 0.979 475 V CB 2.087 34.001 31.823 0.151 0.000 1.039 475 V HN -0.257 nan 8.190 nan 0.000 0.452 476 V N 3.723 123.705 119.914 0.112 0.000 2.604 476 V HA 0.509 4.629 4.120 0.000 0.000 0.305 476 V C -0.211 175.940 176.094 0.095 0.000 1.043 476 V CA -0.599 61.757 62.300 0.094 0.000 0.888 476 V CB 1.753 33.635 31.823 0.099 0.000 0.995 476 V HN 0.981 nan 8.190 nan 0.000 0.429 477 I N 5.047 125.668 120.570 0.085 0.000 2.342 477 I HA 0.489 4.659 4.170 0.000 0.000 0.291 477 I C -0.194 175.982 176.117 0.097 0.000 1.010 477 I CA -0.012 61.342 61.300 0.088 0.000 1.308 477 I CB 0.461 38.510 38.000 0.081 0.000 1.400 477 I HN 0.630 nan 8.210 nan 0.000 0.488 478 K N 7.365 127.825 120.400 0.100 0.000 2.425 478 K HA 0.208 4.528 4.320 0.000 0.000 0.259 478 K C -1.522 175.159 176.600 0.134 0.000 0.978 478 K CA -0.731 55.617 56.287 0.101 0.000 0.883 478 K CB 0.899 33.438 32.500 0.065 0.000 1.110 478 K HN 0.671 nan 8.250 nan 0.000 0.436 479 Y N 5.401 125.716 120.300 0.024 0.000 2.319 479 Y HA 0.342 4.892 4.550 0.000 0.000 0.328 479 Y C -1.344 174.565 175.900 0.015 0.000 1.133 479 Y CA -0.455 57.656 58.100 0.019 0.000 1.265 479 Y CB 0.588 39.059 38.460 0.018 0.000 1.218 479 Y HN 0.445 nan 8.280 nan 0.000 0.508 480 L N 7.287 128.251 121.223 -0.431 0.000 2.376 480 L HA 0.380 4.720 4.340 0.000 0.000 0.275 480 L C -0.889 175.601 176.870 -0.634 0.000 0.987 480 L CA -0.730 53.820 54.840 -0.483 0.000 0.828 480 L CB 1.565 43.515 42.059 -0.182 0.000 1.249 480 L HN 0.673 nan 8.230 nan 0.000 0.409 481 C N 3.840 122.744 119.300 -0.660 0.000 2.347 481 C HA 0.593 5.053 4.460 0.000 0.000 0.353 481 C C 0.356 175.249 174.990 -0.162 0.000 1.273 481 C CA -0.252 58.569 59.018 -0.328 0.000 1.861 481 C CB 0.791 28.397 27.740 -0.224 0.000 2.420 481 C HN 0.557 nan 8.230 nan 0.000 0.542 482 V N 5.716 125.580 119.914 -0.083 0.000 2.459 482 V HA 0.679 4.799 4.120 0.000 0.000 0.295 482 V C 0.526 176.604 176.094 -0.026 0.000 1.029 482 V CA -0.307 61.962 62.300 -0.051 0.000 0.874 482 V CB 1.669 33.470 31.823 -0.037 0.000 0.985 482 V HN 1.055 nan 8.190 nan 0.000 0.438 483 A N 4.511 127.317 122.820 -0.024 0.000 2.293 483 A HA 0.832 5.152 4.320 0.000 0.000 0.302 483 A C -0.354 177.224 177.584 -0.010 0.000 1.119 483 A CA -0.319 51.711 52.037 -0.012 0.000 0.823 483 A CB 1.605 20.598 19.000 -0.012 0.000 1.097 483 A HN 0.841 nan 8.150 nan 0.000 0.491 484 V N 0.000 119.911 119.914 -0.005 0.000 2.409 484 V HA 0.000 4.120 4.120 0.000 0.000 0.244 484 V CA 0.000 62.297 62.300 -0.004 0.000 1.235 484 V CB 0.000 31.822 31.823 -0.001 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556