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 3iyf_1_L DATA FIRST_RESID 7 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVITN DATA SEQUENCE IKDLSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.087 176.094 -0.012 0.000 1.182 7 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 7 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 8 L N 2.156 123.370 121.223 -0.014 0.000 2.455 8 L HA 0.700 5.040 4.340 0.000 0.000 0.264 8 L C -2.445 174.415 176.870 -0.017 0.000 0.968 8 L CA -1.569 53.261 54.840 -0.017 0.000 0.827 8 L CB 1.891 43.935 42.059 -0.024 0.000 1.317 8 L HN 0.047 nan 8.230 nan 0.000 0.407 9 P HA 0.098 nan 4.420 nan 0.000 0.275 9 P C -0.611 176.680 177.300 -0.015 0.000 1.266 9 P CA -0.520 62.573 63.100 -0.013 0.000 0.793 9 P CB 0.435 32.128 31.700 -0.010 0.000 1.074 10 E N 1.261 121.453 120.200 -0.012 0.000 0.768 10 E HA -0.372 3.978 4.350 0.000 0.000 0.365 10 E C -0.459 176.133 176.600 -0.013 0.000 1.016 10 E CA 1.241 57.635 56.400 -0.011 0.000 1.380 10 E CB -0.828 28.867 29.700 -0.008 0.000 0.297 10 E HN 0.642 nan 8.360 nan 0.000 0.365 11 N N 1.625 120.316 118.700 -0.015 0.000 2.900 11 N HA -0.240 4.501 4.740 0.000 0.000 0.182 11 N C 0.809 176.303 175.510 -0.026 0.000 1.439 11 N CA 1.286 54.327 53.050 -0.014 0.000 1.810 11 N CB -1.283 37.200 38.487 -0.007 0.000 0.985 11 N HN 0.583 nan 8.380 nan 0.000 0.579 12 M N -0.481 119.098 119.600 -0.034 0.000 7.319 12 M HA -0.333 4.147 4.480 0.000 0.000 0.303 12 M C 0.030 176.279 176.300 -0.085 0.000 0.480 12 M CA 2.475 57.743 55.300 -0.053 0.000 1.311 12 M CB -1.434 31.139 32.600 -0.045 0.000 0.421 12 M HN 0.379 nan 8.290 nan 0.000 0.657 13 K N 0.445 120.771 120.400 -0.123 0.000 4.276 13 K HA -0.183 4.137 4.320 0.000 0.000 0.538 13 K C -0.348 176.046 176.600 -0.343 0.000 2.296 13 K CA 1.502 57.648 56.287 -0.235 0.000 1.691 13 K CB -0.061 32.289 32.500 -0.249 0.000 1.365 13 K HN 0.441 nan 8.250 nan 0.000 0.346 14 R N 2.833 123.066 120.500 -0.445 0.000 2.532 14 R HA 0.355 4.695 4.340 0.000 0.000 0.297 14 R C -1.562 174.516 176.300 -0.370 0.000 0.984 14 R CA -0.659 55.239 56.100 -0.337 0.000 0.884 14 R CB 0.895 31.108 30.300 -0.145 0.000 1.182 14 R HN 0.467 nan 8.270 nan 0.000 0.442 15 Y N 4.936 125.251 120.300 0.025 0.000 2.338 15 Y HA 0.390 4.940 4.550 -0.000 0.000 0.333 15 Y C 0.257 176.172 175.900 0.024 0.000 0.968 15 Y CA -1.099 57.016 58.100 0.025 0.000 1.123 15 Y CB 1.638 40.114 38.460 0.026 0.000 1.165 15 Y HN 0.348 nan 8.280 nan 0.000 0.452 16 M N 0.597 120.301 119.600 0.174 0.000 2.849 16 M HA 0.890 5.370 4.480 0.000 0.000 0.299 16 M C 1.009 177.366 176.300 0.095 0.000 1.223 16 M CA -0.242 55.124 55.300 0.109 0.000 0.856 16 M CB 1.094 33.740 32.600 0.078 0.000 1.680 16 M HN 0.764 nan 8.290 nan 0.000 0.506 17 G N 0.940 109.776 108.800 0.060 0.000 2.693 17 G HA2 -0.389 3.571 3.960 0.000 0.000 0.354 17 G HA3 -0.389 3.571 3.960 0.000 0.000 0.354 17 G C 1.056 175.970 174.900 0.022 0.000 1.207 17 G CA 1.489 46.612 45.100 0.039 0.000 0.958 17 G HN 1.006 nan 8.290 nan 0.000 0.560 18 R N 0.955 121.463 120.500 0.015 0.000 2.206 18 R HA -0.250 4.090 4.340 0.000 0.000 0.240 18 R C 2.312 178.588 176.300 -0.040 0.000 1.117 18 R CA 3.263 59.359 56.100 -0.007 0.000 0.915 18 R CB -1.288 29.005 30.300 -0.012 0.000 0.888 18 R HN 0.659 nan 8.270 nan 0.000 0.432 19 D N -0.239 120.142 120.400 -0.033 0.000 2.116 19 D HA -0.149 4.491 4.640 0.000 0.000 0.193 19 D C 1.790 177.962 176.300 -0.214 0.000 0.998 19 D CA 1.965 55.885 54.000 -0.134 0.000 0.836 19 D CB -0.288 40.575 40.800 0.104 0.000 0.951 19 D HN 0.499 nan 8.370 nan 0.000 0.449 20 A N 0.452 123.268 122.820 -0.006 0.000 1.826 20 A HA -0.194 4.126 4.320 0.000 0.000 0.214 20 A C 2.143 179.727 177.584 0.000 0.000 1.212 20 A CA 1.472 53.543 52.037 0.057 0.000 0.605 20 A CB -0.963 18.094 19.000 0.095 0.000 0.861 20 A HN 0.106 nan 8.150 nan 0.000 0.447 21 Q N -0.699 119.100 119.800 -0.002 0.000 2.156 21 Q HA -0.266 4.074 4.340 0.000 0.000 0.211 21 Q C 2.332 178.315 176.000 -0.028 0.000 0.995 21 Q CA 2.415 58.211 55.803 -0.010 0.000 0.877 21 Q CB -0.294 28.435 28.738 -0.014 0.000 0.920 21 Q HN 0.682 nan 8.270 nan 0.000 0.416 22 R N -0.157 120.305 120.500 -0.063 0.000 2.075 22 R HA -0.139 4.201 4.340 0.000 0.000 0.232 22 R C 1.943 178.186 176.300 -0.095 0.000 1.126 22 R CA 1.472 57.522 56.100 -0.084 0.000 0.963 22 R CB -0.173 30.059 30.300 -0.112 0.000 0.858 22 R HN 0.275 nan 8.270 nan 0.000 0.435 23 M N 1.155 120.678 119.600 -0.128 0.000 2.108 23 M HA -0.158 4.322 4.480 0.000 0.000 0.261 23 M C 1.760 178.097 176.300 0.063 0.000 1.066 23 M CA 1.765 56.990 55.300 -0.124 0.000 1.107 23 M CB -1.199 31.352 32.600 -0.082 0.000 1.356 23 M HN 0.340 nan 8.290 nan 0.000 0.406 24 N N 0.100 118.867 118.700 0.113 0.000 2.083 24 N HA -0.059 4.681 4.740 0.000 0.000 0.190 24 N C 1.871 177.432 175.510 0.085 0.000 1.047 24 N CA 0.940 54.076 53.050 0.142 0.000 0.845 24 N CB 0.094 38.629 38.487 0.080 0.000 1.025 24 N HN 0.176 nan 8.380 nan 0.000 0.428 25 I N 1.682 122.273 120.570 0.035 0.000 2.068 25 I HA -0.355 3.815 4.170 0.000 0.000 0.238 25 I C 2.403 178.528 176.117 0.013 0.000 1.046 25 I CA 1.254 62.561 61.300 0.013 0.000 1.306 25 I CB -0.467 37.529 38.000 -0.007 0.000 1.023 25 I HN 0.270 nan 8.210 nan 0.000 0.399 26 L N 0.395 121.616 121.223 -0.002 0.000 2.010 26 L HA -0.353 3.987 4.340 0.000 0.000 0.219 26 L C 2.776 179.656 176.870 0.016 0.000 1.077 26 L CA 2.074 56.906 54.840 -0.013 0.000 0.773 26 L CB -0.549 41.477 42.059 -0.054 0.000 0.892 26 L HN 0.369 nan 8.230 nan 0.000 0.436 27 A N -0.485 122.372 122.820 0.060 0.000 1.877 27 A HA -0.131 4.189 4.320 0.000 0.000 0.216 27 A C 2.297 179.923 177.584 0.071 0.000 1.186 27 A CA 1.654 53.766 52.037 0.125 0.000 0.620 27 A CB -1.321 17.895 19.000 0.359 0.000 0.822 27 A HN 0.527 nan 8.150 nan 0.000 0.443 28 G N 0.019 108.851 108.800 0.053 0.000 2.631 28 G HA2 -0.328 3.632 3.960 0.000 0.000 0.219 28 G HA3 -0.328 3.632 3.960 0.000 0.000 0.219 28 G C 1.743 176.652 174.900 0.015 0.000 1.214 28 G CA 1.311 46.428 45.100 0.028 0.000 0.785 28 G HN 0.616 nan 8.290 nan 0.000 0.596 29 R N -0.168 120.339 120.500 0.011 0.000 2.090 29 R HA 0.207 4.547 4.340 0.000 0.000 0.228 29 R C 2.605 178.905 176.300 0.000 0.000 1.110 29 R CA 0.693 56.794 56.100 0.001 0.000 0.973 29 R CB -0.370 29.927 30.300 -0.004 0.000 0.869 29 R HN 0.386 nan 8.270 nan 0.000 0.440 30 I N 1.383 121.956 120.570 0.004 0.000 2.054 30 I HA -0.301 3.869 4.170 0.000 0.000 0.231 30 I C 2.131 178.251 176.117 0.005 0.000 1.052 30 I CA 1.351 62.653 61.300 0.003 0.000 1.320 30 I CB -0.457 37.547 38.000 0.008 0.000 1.063 30 I HN 0.098 nan 8.210 nan 0.000 0.393 31 I N 0.866 121.443 120.570 0.011 0.000 3.128 31 I HA -0.480 3.690 4.170 0.000 0.000 0.208 31 I C 2.355 178.473 176.117 0.003 0.000 0.807 31 I CA 2.662 63.968 61.300 0.009 0.000 1.159 31 I CB -2.096 35.911 38.000 0.013 0.000 0.912 31 I HN 0.398 nan 8.210 nan 0.000 0.348 32 A N 0.510 123.330 122.820 -0.000 0.000 1.887 32 A HA -0.038 4.282 4.320 0.000 0.000 0.212 32 A C 2.151 179.730 177.584 -0.008 0.000 1.198 32 A CA 1.038 53.071 52.037 -0.006 0.000 0.628 32 A CB -0.599 18.396 19.000 -0.009 0.000 0.847 32 A HN 0.608 nan 8.150 nan 0.000 0.449 33 E N -0.092 120.104 120.200 -0.008 0.000 2.136 33 E HA -0.214 4.136 4.350 0.000 0.000 0.202 33 E C 1.939 178.535 176.600 -0.008 0.000 1.019 33 E CA 1.875 58.270 56.400 -0.009 0.000 0.819 33 E CB -0.560 29.135 29.700 -0.008 0.000 0.739 33 E HN 0.606 nan 8.360 nan 0.000 0.458 34 T N 1.002 115.553 114.554 -0.005 0.000 2.502 34 T HA -0.165 4.185 4.350 0.000 0.000 0.258 34 T C 1.837 176.534 174.700 -0.005 0.000 1.146 34 T CA 1.975 64.073 62.100 -0.003 0.000 1.208 34 T CB -0.309 68.559 68.868 -0.000 0.000 0.864 34 T HN 0.078 nan 8.240 nan 0.000 0.402 35 V N 2.661 122.571 119.914 -0.005 0.000 3.563 35 V HA 0.134 4.254 4.120 0.000 0.000 0.299 35 V C 1.987 178.075 176.094 -0.011 0.000 1.290 35 V CA 0.288 62.585 62.300 -0.006 0.000 1.201 35 V CB -1.436 30.384 31.823 -0.005 0.000 1.045 35 V HN 0.469 nan 8.190 nan 0.000 0.425 36 R N 1.224 121.717 120.500 -0.013 0.000 2.052 36 R HA 0.004 4.344 4.340 0.000 0.000 0.224 36 R C 1.980 178.269 176.300 -0.018 0.000 1.149 36 R CA 1.194 57.283 56.100 -0.017 0.000 0.962 36 R CB -1.285 29.004 30.300 -0.019 0.000 0.856 36 R HN 0.426 nan 8.270 nan 0.000 0.433 37 S N 1.018 116.708 115.700 -0.016 0.000 2.693 37 S HA -0.153 4.317 4.470 0.000 0.000 0.261 37 S C 1.250 175.842 174.600 -0.013 0.000 0.981 37 S CA 1.362 59.553 58.200 -0.015 0.000 0.984 37 S CB -0.784 62.409 63.200 -0.012 0.000 0.763 37 S HN 0.711 nan 8.310 nan 0.000 0.546 38 T N -1.659 112.888 114.554 -0.012 0.000 3.026 38 T HA 0.266 4.616 4.350 0.000 0.000 0.245 38 T C 0.769 175.462 174.700 -0.011 0.000 1.004 38 T CA -0.452 61.643 62.100 -0.009 0.000 1.069 38 T CB -0.333 68.531 68.868 -0.006 0.000 1.005 38 T HN 0.268 nan 8.240 nan 0.000 0.472 39 L N 3.285 124.500 121.223 -0.015 0.000 2.477 39 L HA 0.433 4.773 4.340 0.000 0.000 0.289 39 L C 0.998 177.854 176.870 -0.022 0.000 1.279 39 L CA 1.711 56.541 54.840 -0.017 0.000 0.825 39 L CB -1.204 40.848 42.059 -0.013 0.000 1.085 39 L HN 0.947 nan 8.230 nan 0.000 0.548 40 G N 3.041 111.826 108.800 -0.024 0.000 2.877 40 G HA2 -0.197 3.763 3.960 0.000 0.000 0.279 40 G HA3 -0.197 3.763 3.960 0.000 0.000 0.279 40 G C -1.703 173.172 174.900 -0.041 0.000 1.431 40 G CA -0.182 44.897 45.100 -0.036 0.000 0.883 40 G HN 0.648 nan 8.290 nan 0.000 0.547 41 P HA -0.080 nan 4.420 nan 0.000 0.217 41 P C 1.510 178.775 177.300 -0.057 0.000 1.148 41 P CA 1.764 64.812 63.100 -0.086 0.000 0.834 41 P CB 0.106 31.687 31.700 -0.198 0.000 0.783 42 K N -0.868 119.497 120.400 -0.059 0.000 2.397 42 K HA 0.304 4.624 4.320 0.000 0.000 0.202 42 K C 0.790 177.374 176.600 -0.027 0.000 1.022 42 K CA -0.002 56.257 56.287 -0.047 0.000 1.141 42 K CB 0.165 32.632 32.500 -0.054 0.000 0.857 42 K HN 0.069 nan 8.250 nan 0.000 0.514 43 G N 0.502 109.291 108.800 -0.019 0.000 2.420 43 G HA2 0.522 4.482 3.960 0.000 0.000 0.331 43 G HA3 0.522 4.482 3.960 0.000 0.000 0.331 43 G C -0.596 174.301 174.900 -0.004 0.000 1.168 43 G CA -0.454 44.639 45.100 -0.012 0.000 0.936 43 G HN -0.096 nan 8.290 nan 0.000 0.479 44 M N 1.536 121.134 119.600 -0.003 0.000 2.336 44 M HA 0.349 4.829 4.480 0.000 0.000 0.342 44 M C -0.340 175.961 176.300 0.002 0.000 1.128 44 M CA -1.346 53.954 55.300 0.000 0.000 1.016 44 M CB 1.505 34.104 32.600 -0.002 0.000 1.665 44 M HN 0.432 nan 8.290 nan 0.000 0.445 45 D N 2.450 122.852 120.400 0.005 0.000 2.354 45 D HA 0.293 4.933 4.640 0.000 0.000 0.238 45 D C -0.356 175.946 176.300 0.004 0.000 1.250 45 D CA 0.570 54.574 54.000 0.006 0.000 0.911 45 D CB 0.740 41.544 40.800 0.007 0.000 1.163 45 D HN 0.327 nan 8.370 nan 0.000 0.456 46 K N 0.366 120.769 120.400 0.005 0.000 2.468 46 K HA 0.418 4.739 4.320 0.000 0.000 0.252 46 K C -0.842 175.761 176.600 0.005 0.000 0.932 46 K CA -0.697 55.592 56.287 0.004 0.000 0.794 46 K CB 2.343 34.845 32.500 0.003 0.000 1.241 46 K HN 0.313 nan 8.250 nan 0.000 0.428 47 M N 5.230 124.832 119.600 0.003 0.000 2.268 47 M HA 0.270 4.750 4.480 0.000 0.000 0.340 47 M C -1.464 174.838 176.300 0.003 0.000 1.099 47 M CA -0.739 54.563 55.300 0.003 0.000 1.053 47 M CB 0.118 32.719 32.600 0.002 0.000 1.284 47 M HN 0.585 nan 8.290 nan 0.000 0.410 48 L N 3.480 124.706 121.223 0.005 0.000 2.464 48 L HA 0.598 4.938 4.340 0.000 0.000 0.264 48 L C -0.121 176.752 176.870 0.005 0.000 1.199 48 L CA -0.584 54.259 54.840 0.005 0.000 0.818 48 L CB 0.941 43.003 42.059 0.006 0.000 1.102 48 L HN 0.518 nan 8.230 nan 0.000 0.473 49 V N 0.978 120.895 119.914 0.005 0.000 2.789 49 V HA 0.344 4.464 4.120 0.000 0.000 0.300 49 V C -1.152 174.945 176.094 0.005 0.000 1.184 49 V CA -0.615 61.687 62.300 0.004 0.000 0.930 49 V CB 1.873 33.697 31.823 0.003 0.000 1.041 49 V HN 0.945 nan 8.190 nan 0.000 0.430 50 D N 4.001 124.404 120.400 0.005 0.000 2.496 50 D HA 0.296 4.936 4.640 0.000 0.000 0.283 50 D C 0.667 176.970 176.300 0.005 0.000 1.214 50 D CA 0.317 54.320 54.000 0.005 0.000 1.089 50 D CB 0.584 41.387 40.800 0.006 0.000 1.141 50 D HN 0.530 nan 8.370 nan 0.000 0.580 51 D N -0.566 119.837 120.400 0.005 0.000 2.183 51 D HA -0.071 4.569 4.640 0.000 0.000 0.203 51 D C 2.213 178.515 176.300 0.004 0.000 0.969 51 D CA 0.684 54.686 54.000 0.005 0.000 0.842 51 D CB -0.153 40.650 40.800 0.005 0.000 0.957 51 D HN 0.292 nan 8.370 nan 0.000 0.484 52 L N 0.196 121.421 121.223 0.004 0.000 2.187 52 L HA -0.020 4.320 4.340 0.000 0.000 0.213 52 L C 2.162 179.034 176.870 0.003 0.000 1.100 52 L CA 1.631 56.473 54.840 0.004 0.000 0.765 52 L CB -0.637 41.424 42.059 0.004 0.000 0.904 52 L HN 0.280 nan 8.230 nan 0.000 0.437 53 G N -2.120 106.682 108.800 0.003 0.000 2.352 53 G HA2 -0.236 3.724 3.960 0.000 0.000 0.204 53 G HA3 -0.236 3.724 3.960 0.000 0.000 0.204 53 G C 0.075 174.977 174.900 0.003 0.000 1.004 53 G CA -0.062 45.040 45.100 0.003 0.000 0.648 53 G HN 0.266 nan 8.290 nan 0.000 0.491 54 D N 1.993 122.395 120.400 0.004 0.000 2.554 54 D HA 0.338 4.978 4.640 0.000 0.000 0.251 54 D C 1.273 177.575 176.300 0.004 0.000 1.213 54 D CA 0.976 54.978 54.000 0.004 0.000 0.900 54 D CB 0.807 41.610 40.800 0.005 0.000 1.135 54 D HN 0.935 nan 8.370 nan 0.000 0.522 55 V N 1.727 121.642 119.914 0.003 0.000 2.785 55 V HA 0.720 4.840 4.120 0.000 0.000 0.300 55 V C 0.235 176.331 176.094 0.004 0.000 1.062 55 V CA -0.798 61.504 62.300 0.003 0.000 1.029 55 V CB 1.612 33.435 31.823 0.001 0.000 1.024 55 V HN 0.345 nan 8.190 nan 0.000 0.477 56 V N 1.639 121.556 119.914 0.004 0.000 2.823 56 V HA 0.666 4.786 4.120 0.000 0.000 0.296 56 V C -0.869 175.230 176.094 0.008 0.000 1.250 56 V CA -0.441 61.864 62.300 0.008 0.000 0.939 56 V CB 1.629 33.457 31.823 0.009 0.000 1.062 56 V HN 0.985 nan 8.190 nan 0.000 0.433 57 V N 3.917 123.837 119.914 0.010 0.000 2.250 57 V HA 0.759 4.879 4.120 0.000 0.000 0.268 57 V C 0.371 176.474 176.094 0.016 0.000 1.043 57 V CA 0.360 62.666 62.300 0.010 0.000 0.814 57 V CB 0.465 32.292 31.823 0.007 0.000 1.072 57 V HN 1.172 nan 8.190 nan 0.000 0.451 58 T N -0.404 114.159 114.554 0.014 0.000 2.909 58 T HA 0.450 4.801 4.350 0.000 0.000 0.299 58 T C 0.247 174.955 174.700 0.013 0.000 1.073 58 T CA -0.589 61.521 62.100 0.017 0.000 0.999 58 T CB 2.683 71.561 68.868 0.018 0.000 1.098 58 T HN 0.322 nan 8.240 nan 0.000 0.477 59 N N 0.363 119.071 118.700 0.013 0.000 2.513 59 N HA 0.042 4.782 4.740 0.000 0.000 0.196 59 N C -0.575 174.938 175.510 0.005 0.000 1.041 59 N CA -0.261 52.794 53.050 0.009 0.000 0.916 59 N CB 0.317 38.810 38.487 0.011 0.000 1.172 59 N HN 0.649 nan 8.380 nan 0.000 0.444 60 D N 0.516 120.919 120.400 0.006 0.000 2.877 60 D HA -0.085 4.555 4.640 0.000 0.000 0.220 60 D C 0.996 177.298 176.300 0.003 0.000 1.089 60 D CA 0.423 54.425 54.000 0.004 0.000 0.811 60 D CB 0.592 41.395 40.800 0.004 0.000 1.162 60 D HN 0.478 nan 8.370 nan 0.000 0.513 61 G N 2.061 110.861 108.800 0.001 0.000 2.484 61 G HA2 -0.226 3.735 3.960 0.000 0.000 0.215 61 G HA3 -0.226 3.735 3.960 0.000 0.000 0.215 61 G C 1.578 176.479 174.900 0.001 0.000 1.219 61 G CA 0.729 45.829 45.100 0.000 0.000 0.791 61 G HN 0.454 nan 8.290 nan 0.000 0.550 62 V N 1.391 121.306 119.914 0.001 0.000 2.227 62 V HA -0.287 3.834 4.120 0.000 0.000 0.249 62 V C 3.054 179.150 176.094 0.003 0.000 1.046 62 V CA 3.595 65.896 62.300 0.002 0.000 1.015 62 V CB -1.054 30.769 31.823 0.001 0.000 0.648 62 V HN 0.515 nan 8.190 nan 0.000 0.460 63 T N 0.015 114.571 114.554 0.004 0.000 3.025 63 T HA -0.071 4.279 4.350 0.000 0.000 0.270 63 T C 1.668 176.372 174.700 0.006 0.000 1.126 63 T CA 1.515 63.618 62.100 0.005 0.000 1.105 63 T CB -0.520 68.352 68.868 0.006 0.000 0.884 63 T HN 0.519 nan 8.240 nan 0.000 0.522 64 I N 0.549 121.122 120.570 0.006 0.000 2.118 64 I HA -0.175 3.995 4.170 0.000 0.000 0.241 64 I C 1.980 178.101 176.117 0.006 0.000 1.070 64 I CA 1.227 62.530 61.300 0.006 0.000 1.327 64 I CB -0.197 37.806 38.000 0.004 0.000 1.034 64 I HN 0.224 nan 8.210 nan 0.000 0.405 65 L N -0.482 120.744 121.223 0.005 0.000 2.354 65 L HA 0.054 4.394 4.340 0.000 0.000 0.212 65 L C 2.335 179.209 176.870 0.006 0.000 1.091 65 L CA 1.040 55.884 54.840 0.006 0.000 0.828 65 L CB -1.335 40.728 42.059 0.006 0.000 0.973 65 L HN 0.184 nan 8.230 nan 0.000 0.461 66 R N 0.816 121.319 120.500 0.005 0.000 2.222 66 R HA -0.296 4.044 4.340 0.000 0.000 0.235 66 R C 2.127 178.431 176.300 0.006 0.000 1.112 66 R CA 2.660 58.763 56.100 0.005 0.000 0.897 66 R CB -0.511 29.792 30.300 0.005 0.000 0.882 66 R HN 0.594 nan 8.270 nan 0.000 0.429 67 E N 0.149 120.353 120.200 0.007 0.000 2.033 67 E HA -0.207 4.143 4.350 0.000 0.000 0.199 67 E C 0.474 177.079 176.600 0.008 0.000 1.011 67 E CA 0.995 57.399 56.400 0.007 0.000 0.815 67 E CB -0.255 29.450 29.700 0.007 0.000 0.755 67 E HN 0.111 nan 8.360 nan 0.000 0.451 68 M N 2.806 122.411 119.600 0.008 0.000 2.775 68 M HA 0.041 4.521 4.480 0.000 0.000 0.313 68 M C 0.231 176.538 176.300 0.012 0.000 1.429 68 M CA -0.934 54.372 55.300 0.009 0.000 1.494 68 M CB -0.164 32.441 32.600 0.009 0.000 1.274 68 M HN 0.174 nan 8.290 nan 0.000 0.491 69 S N 2.487 118.194 115.700 0.012 0.000 3.237 69 S HA -0.030 4.440 4.470 0.000 0.000 0.242 69 S C 0.552 175.162 174.600 0.017 0.000 0.964 69 S CA 0.104 58.312 58.200 0.013 0.000 1.189 69 S CB -1.394 61.813 63.200 0.011 0.000 1.063 69 S HN 0.600 nan 8.310 nan 0.000 0.509 70 V N 0.861 120.787 119.914 0.021 0.000 3.061 70 V HA 0.091 4.211 4.120 0.000 0.000 0.306 70 V C 1.306 177.424 176.094 0.041 0.000 1.118 70 V CA 0.820 63.138 62.300 0.029 0.000 1.231 70 V CB 0.496 32.336 31.823 0.028 0.000 0.956 70 V HN 0.777 nan 8.190 nan 0.000 0.499 71 E N 2.956 123.192 120.200 0.060 0.000 2.075 71 E HA -0.015 4.335 4.350 0.000 0.000 0.190 71 E C 1.105 177.789 176.600 0.140 0.000 0.969 71 E CA 0.608 57.056 56.400 0.080 0.000 0.815 71 E CB -0.164 29.576 29.700 0.067 0.000 0.776 71 E HN 0.902 nan 8.360 nan 0.000 0.457 72 H N 1.246 120.325 119.070 0.016 0.000 2.517 72 H HA 0.136 4.692 4.556 0.001 0.000 0.317 72 H C -1.938 173.402 175.328 0.020 0.000 1.080 72 H CA -2.404 53.657 56.048 0.022 0.000 1.301 72 H CB 1.742 31.517 29.762 0.022 0.000 1.425 72 H HN -0.050 nan 8.280 nan 0.000 0.471 73 P HA -0.087 nan 4.420 nan 0.000 0.225 73 P C 0.762 177.943 177.300 -0.199 0.000 1.148 73 P CA 1.130 64.154 63.100 -0.126 0.000 0.779 73 P CB 0.297 31.940 31.700 -0.095 0.000 0.780 74 A N 0.299 122.869 122.820 -0.416 0.000 1.903 74 A HA 0.103 4.423 4.320 0.000 0.000 0.213 74 A C 2.258 179.761 177.584 -0.134 0.000 1.185 74 A CA 1.210 53.085 52.037 -0.269 0.000 0.628 74 A CB -1.512 17.267 19.000 -0.368 0.000 0.830 74 A HN 0.143 nan 8.150 nan 0.000 0.446 75 A N 0.224 122.980 122.820 -0.108 0.000 2.117 75 A HA -0.258 4.062 4.320 0.000 0.000 0.224 75 A C 1.993 179.571 177.584 -0.010 0.000 1.167 75 A CA 2.072 54.103 52.037 -0.009 0.000 0.664 75 A CB -0.455 18.585 19.000 0.067 0.000 0.811 75 A HN 0.563 nan 8.150 nan 0.000 0.470 76 K N -0.867 119.512 120.400 -0.035 0.000 2.211 76 K HA 0.060 4.380 4.320 0.000 0.000 0.201 76 K C 1.825 178.413 176.600 -0.020 0.000 1.052 76 K CA 1.077 57.351 56.287 -0.021 0.000 0.973 76 K CB -0.288 32.200 32.500 -0.020 0.000 0.766 76 K HN 0.768 nan 8.250 nan 0.000 0.466 77 M N 0.275 119.857 119.600 -0.031 0.000 2.530 77 M HA -0.064 4.416 4.480 0.000 0.000 0.261 77 M C 1.166 177.459 176.300 -0.012 0.000 1.067 77 M CA 1.155 56.441 55.300 -0.023 0.000 1.071 77 M CB -0.359 32.225 32.600 -0.027 0.000 1.405 77 M HN -0.073 nan 8.290 nan 0.000 0.478 78 L N -0.265 120.953 121.223 -0.009 0.000 2.513 78 L HA 0.175 4.515 4.340 0.000 0.000 0.222 78 L C 2.028 178.898 176.870 0.001 0.000 1.096 78 L CA 0.737 55.576 54.840 -0.001 0.000 0.857 78 L CB -0.364 41.696 42.059 0.002 0.000 1.026 78 L HN 0.293 nan 8.230 nan 0.000 0.469 79 I N -0.149 120.422 120.570 0.000 0.000 2.480 79 I HA -0.133 4.037 4.170 0.000 0.000 0.251 79 I C 2.109 178.227 176.117 0.000 0.000 1.124 79 I CA 1.190 62.491 61.300 0.001 0.000 1.444 79 I CB -0.159 37.842 38.000 0.002 0.000 1.098 79 I HN 0.303 nan 8.210 nan 0.000 0.428 80 E N -0.041 120.158 120.200 -0.001 0.000 2.233 80 E HA -0.221 4.129 4.350 0.000 0.000 0.199 80 E C 1.839 178.440 176.600 0.002 0.000 1.004 80 E CA 1.678 58.077 56.400 -0.001 0.000 0.819 80 E CB -0.353 29.346 29.700 -0.002 0.000 0.738 80 E HN 0.471 nan 8.360 nan 0.000 0.478 81 V N -0.375 119.540 119.914 0.003 0.000 3.565 81 V HA 0.182 4.302 4.120 0.000 0.000 0.260 81 V C 1.833 177.929 176.094 0.004 0.000 1.231 81 V CA 0.872 63.175 62.300 0.005 0.000 1.100 81 V CB 0.485 32.313 31.823 0.008 0.000 0.807 81 V HN 0.267 nan 8.190 nan 0.000 0.454 82 A N -0.055 122.766 122.820 0.002 0.000 2.095 82 A HA 0.060 4.380 4.320 0.000 0.000 0.212 82 A C 2.214 179.799 177.584 0.001 0.000 1.162 82 A CA 0.930 52.968 52.037 0.001 0.000 0.753 82 A CB -0.112 18.888 19.000 0.000 0.000 0.840 82 A HN 0.367 nan 8.150 nan 0.000 0.468 83 K N -0.244 120.157 120.400 0.001 0.000 1.984 83 K HA -0.116 4.205 4.320 0.000 0.000 0.209 83 K C 1.903 178.503 176.600 0.000 0.000 1.046 83 K CA 1.858 58.145 56.287 0.000 0.000 0.934 83 K CB -0.351 32.150 32.500 0.000 0.000 0.717 83 K HN 0.382 nan 8.250 nan 0.000 0.438 84 T N 1.054 115.609 114.554 0.001 0.000 2.759 84 T HA -0.199 4.151 4.350 0.000 0.000 0.269 84 T C 1.793 176.494 174.700 0.001 0.000 1.042 84 T CA 1.709 63.810 62.100 0.001 0.000 1.140 84 T CB -0.160 68.710 68.868 0.003 0.000 0.864 84 T HN 0.327 nan 8.240 nan 0.000 0.455 85 Q N 0.731 120.532 119.800 0.001 0.000 2.123 85 Q HA -0.056 4.284 4.340 0.000 0.000 0.199 85 Q C 2.331 178.330 176.000 -0.001 0.000 0.966 85 Q CA 1.109 56.913 55.803 0.001 0.000 0.845 85 Q CB -0.162 28.577 28.738 0.002 0.000 0.907 85 Q HN 0.256 nan 8.270 nan 0.000 0.439 86 E N 0.643 120.842 120.200 -0.001 0.000 2.118 86 E HA -0.218 4.132 4.350 0.000 0.000 0.195 86 E C 1.592 178.190 176.600 -0.003 0.000 0.992 86 E CA 1.258 57.656 56.400 -0.002 0.000 0.804 86 E CB 0.083 29.781 29.700 -0.003 0.000 0.741 86 E HN 0.337 nan 8.360 nan 0.000 0.458 87 K N 0.048 120.447 120.400 -0.003 0.000 2.147 87 K HA -0.120 4.200 4.320 0.000 0.000 0.205 87 K C 1.981 178.579 176.600 -0.004 0.000 1.049 87 K CA 1.218 57.503 56.287 -0.003 0.000 0.936 87 K CB 0.163 32.661 32.500 -0.003 0.000 0.722 87 K HN 0.122 nan 8.250 nan 0.000 0.446 88 E N 0.092 120.290 120.200 -0.003 0.000 2.041 88 E HA -0.090 4.260 4.350 0.000 0.000 0.202 88 E C 2.093 178.690 176.600 -0.004 0.000 0.945 88 E CA 0.621 57.019 56.400 -0.003 0.000 0.878 88 E CB -0.913 28.786 29.700 -0.002 0.000 0.886 88 E HN 0.015 nan 8.360 nan 0.000 0.487 89 V N -0.090 119.822 119.914 -0.003 0.000 2.255 89 V HA -0.014 4.106 4.120 0.000 0.000 0.243 89 V C 1.517 177.609 176.094 -0.004 0.000 1.038 89 V CA 2.951 65.249 62.300 -0.003 0.000 1.008 89 V CB -0.145 31.677 31.823 -0.003 0.000 0.645 89 V HN 0.689 nan 8.190 nan 0.000 0.449 90 G N -0.967 107.830 108.800 -0.004 0.000 3.178 90 G HA2 -0.189 3.771 3.960 0.000 0.000 0.200 90 G HA3 -0.189 3.771 3.960 0.000 0.000 0.200 90 G C -0.167 174.731 174.900 -0.004 0.000 1.831 90 G CA -0.027 45.070 45.100 -0.004 0.000 1.470 90 G HN 0.539 nan 8.290 nan 0.000 0.591 91 D N 1.813 122.210 120.400 -0.004 0.000 3.340 91 D HA 0.255 4.895 4.640 0.000 0.000 0.137 91 D C 1.474 177.772 176.300 -0.003 0.000 0.958 91 D CA 2.971 56.969 54.000 -0.003 0.000 0.564 91 D CB -0.388 40.410 40.800 -0.003 0.000 1.014 91 D HN 2.031 nan 8.370 nan 0.000 0.466 92 G N 1.035 109.832 108.800 -0.004 0.000 2.176 92 G HA2 -0.346 3.614 3.960 0.000 0.000 0.232 92 G HA3 -0.346 3.614 3.960 0.000 0.000 0.232 92 G C 1.168 176.065 174.900 -0.005 0.000 0.986 92 G CA 1.084 46.181 45.100 -0.005 0.000 0.643 92 G HN 0.670 nan 8.290 nan 0.000 0.522 93 T N -0.815 113.736 114.554 -0.005 0.000 2.643 93 T HA -0.147 4.203 4.350 0.000 0.000 0.264 93 T C 2.694 177.391 174.700 -0.005 0.000 1.045 93 T CA 2.921 65.019 62.100 -0.003 0.000 1.155 93 T CB -1.378 67.488 68.868 -0.003 0.000 0.863 93 T HN 1.451 nan 8.240 nan 0.000 0.420 94 T N 1.081 115.631 114.554 -0.007 0.000 2.718 94 T HA -0.300 4.050 4.350 0.000 0.000 0.266 94 T C 1.974 176.666 174.700 -0.015 0.000 1.033 94 T CA 2.593 64.687 62.100 -0.010 0.000 1.151 94 T CB -1.751 67.110 68.868 -0.011 0.000 0.853 94 T HN 0.496 nan 8.240 nan 0.000 0.466 95 T N 1.751 116.296 114.554 -0.014 0.000 2.643 95 T HA 0.148 4.498 4.350 0.000 0.000 0.264 95 T C 2.496 177.184 174.700 -0.020 0.000 1.045 95 T CA 1.610 63.699 62.100 -0.019 0.000 1.155 95 T CB -1.080 67.779 68.868 -0.015 0.000 0.863 95 T HN 0.673 nan 8.240 nan 0.000 0.420 96 A N 0.964 123.778 122.820 -0.010 0.000 1.865 96 A HA -0.101 4.220 4.320 0.000 0.000 0.217 96 A C 2.600 180.180 177.584 -0.006 0.000 1.191 96 A CA 1.818 53.853 52.037 -0.002 0.000 0.623 96 A CB -1.131 17.871 19.000 0.003 0.000 0.826 96 A HN 0.353 nan 8.150 nan 0.000 0.444 97 V N -1.056 118.854 119.914 -0.008 0.000 2.307 97 V HA -0.179 3.941 4.120 0.000 0.000 0.245 97 V C 2.510 178.594 176.094 -0.016 0.000 1.045 97 V CA 1.834 64.130 62.300 -0.008 0.000 1.024 97 V CB -0.723 31.096 31.823 -0.005 0.000 0.651 97 V HN 0.346 nan 8.190 nan 0.000 0.449 98 V N 0.713 120.613 119.914 -0.023 0.000 2.323 98 V HA -0.140 3.981 4.120 0.000 0.000 0.244 98 V C 2.285 178.354 176.094 -0.042 0.000 1.041 98 V CA 2.032 64.315 62.300 -0.028 0.000 1.025 98 V CB 0.173 31.977 31.823 -0.032 0.000 0.656 98 V HN 0.576 nan 8.190 nan 0.000 0.451 99 V N -1.476 118.404 119.914 -0.058 0.000 3.623 99 V HA 0.212 4.332 4.120 0.000 0.000 0.274 99 V C 1.911 177.951 176.094 -0.090 0.000 1.244 99 V CA 1.236 63.478 62.300 -0.096 0.000 1.182 99 V CB -0.928 30.817 31.823 -0.131 0.000 0.925 99 V HN 0.333 nan 8.190 nan 0.000 0.462 100 A N 1.024 123.818 122.820 -0.044 0.000 1.975 100 A HA 0.370 4.690 4.320 0.000 0.000 0.215 100 A C 2.200 179.780 177.584 -0.008 0.000 1.170 100 A CA 1.208 53.235 52.037 -0.016 0.000 0.656 100 A CB -0.654 18.348 19.000 0.002 0.000 0.821 100 A HN 0.689 nan 8.150 nan 0.000 0.449 101 G N -1.117 107.672 108.800 -0.017 0.000 2.762 101 G HA2 0.144 4.104 3.960 0.000 0.000 0.209 101 G HA3 0.144 4.104 3.960 0.000 0.000 0.209 101 G C 1.298 176.188 174.900 -0.016 0.000 1.134 101 G CA 0.838 45.932 45.100 -0.009 0.000 0.781 101 G HN 0.403 nan 8.290 nan 0.000 0.528 102 E N 0.780 120.960 120.200 -0.033 0.000 2.001 102 E HA -0.061 4.289 4.350 0.000 0.000 0.195 102 E C 2.307 178.886 176.600 -0.036 0.000 1.002 102 E CA 0.490 56.865 56.400 -0.042 0.000 0.819 102 E CB -0.677 28.982 29.700 -0.069 0.000 0.769 102 E HN 0.105 nan 8.360 nan 0.000 0.454 103 L N 0.131 121.316 121.223 -0.064 0.000 2.288 103 L HA -0.245 4.095 4.340 0.000 0.000 0.218 103 L C 2.142 179.051 176.870 0.065 0.000 1.088 103 L CA 1.512 56.333 54.840 -0.032 0.000 0.786 103 L CB -0.305 41.694 42.059 -0.101 0.000 0.889 103 L HN 0.267 nan 8.230 nan 0.000 0.441 104 L N -1.676 119.566 121.223 0.032 0.000 2.416 104 L HA -0.015 4.325 4.340 0.000 0.000 0.216 104 L C 2.598 179.478 176.870 0.016 0.000 1.098 104 L CA 0.300 55.157 54.840 0.028 0.000 0.840 104 L CB -0.346 41.722 42.059 0.016 0.000 0.981 104 L HN 0.317 nan 8.230 nan 0.000 0.462 105 R N 0.829 121.336 120.500 0.012 0.000 2.052 105 R HA -0.085 4.255 4.340 0.000 0.000 0.226 105 R C 1.744 178.051 176.300 0.013 0.000 1.145 105 R CA 1.134 57.237 56.100 0.004 0.000 0.952 105 R CB -0.374 29.924 30.300 -0.003 0.000 0.847 105 R HN 0.093 nan 8.270 nan 0.000 0.431 106 K N 0.954 121.368 120.400 0.024 0.000 2.281 106 K HA -0.064 4.256 4.320 0.000 0.000 0.203 106 K C 1.865 178.503 176.600 0.064 0.000 1.046 106 K CA 1.354 57.669 56.287 0.046 0.000 0.938 106 K CB -0.246 32.293 32.500 0.064 0.000 0.737 106 K HN 0.401 nan 8.250 nan 0.000 0.458 107 A N 0.882 123.734 122.820 0.054 0.000 2.218 107 A HA -0.050 4.270 4.320 0.000 0.000 0.209 107 A C 1.989 179.559 177.584 -0.024 0.000 1.168 107 A CA 0.430 52.468 52.037 0.001 0.000 0.804 107 A CB -0.085 18.889 19.000 -0.043 0.000 0.834 107 A HN 0.285 nan 8.150 nan 0.000 0.482 108 E N 0.409 120.605 120.200 -0.007 0.000 2.072 108 E HA -0.178 4.172 4.350 0.000 0.000 0.190 108 E C 1.647 178.242 176.600 -0.009 0.000 0.982 108 E CA 1.131 57.523 56.400 -0.013 0.000 0.803 108 E CB -0.053 29.642 29.700 -0.009 0.000 0.755 108 E HN 0.756 nan 8.360 nan 0.000 0.453 109 E N 0.440 120.641 120.200 0.003 0.000 2.118 109 E HA -0.204 4.146 4.350 0.000 0.000 0.195 109 E C 2.230 178.831 176.600 0.003 0.000 0.992 109 E CA 0.963 57.366 56.400 0.005 0.000 0.804 109 E CB -0.053 29.656 29.700 0.015 0.000 0.741 109 E HN 0.331 nan 8.360 nan 0.000 0.458 110 L N 0.334 121.557 121.223 0.000 0.000 2.162 110 L HA -0.079 4.261 4.340 0.000 0.000 0.205 110 L C 2.380 179.237 176.870 -0.021 0.000 1.086 110 L CA 0.449 55.285 54.840 -0.007 0.000 0.778 110 L CB -0.391 41.660 42.059 -0.013 0.000 0.928 110 L HN 0.142 nan 8.230 nan 0.000 0.446 111 L N -0.448 120.753 121.223 -0.035 0.000 2.127 111 L HA -0.221 4.119 4.340 0.000 0.000 0.211 111 L C 1.741 178.599 176.870 -0.019 0.000 1.089 111 L CA 1.224 56.039 54.840 -0.041 0.000 0.757 111 L CB -0.691 41.332 42.059 -0.061 0.000 0.899 111 L HN 0.259 nan 8.230 nan 0.000 0.434 112 D N -0.482 119.911 120.400 -0.012 0.000 2.363 112 D HA -0.118 4.522 4.640 0.000 0.000 0.226 112 D C 1.939 178.239 176.300 0.001 0.000 1.020 112 D CA 0.382 54.379 54.000 -0.004 0.000 0.892 112 D CB 0.017 40.814 40.800 -0.006 0.000 0.900 112 D HN 0.321 nan 8.370 nan 0.000 0.531 113 Q N 1.057 120.858 119.800 0.001 0.000 2.444 113 Q HA -0.063 4.277 4.340 0.000 0.000 0.206 113 Q C 0.569 176.575 176.000 0.010 0.000 0.948 113 Q CA 0.155 55.961 55.803 0.005 0.000 0.946 113 Q CB -0.263 28.479 28.738 0.007 0.000 1.027 113 Q HN 0.217 nan 8.270 nan 0.000 0.513 114 N N -1.103 117.605 118.700 0.014 0.000 2.886 114 N HA -0.256 4.484 4.740 0.000 0.000 0.229 114 N C 0.170 175.703 175.510 0.038 0.000 0.847 114 N CA 1.137 54.203 53.050 0.027 0.000 1.132 114 N CB -1.172 37.336 38.487 0.035 0.000 1.018 114 N HN 0.286 nan 8.380 nan 0.000 0.624 115 V N 0.118 120.044 119.914 0.020 0.000 2.540 115 V HA 0.090 4.210 4.120 0.000 0.000 0.297 115 V C 0.554 176.666 176.094 0.030 0.000 1.024 115 V CA -0.145 62.176 62.300 0.035 0.000 1.105 115 V CB 0.299 32.137 31.823 0.026 0.000 0.938 115 V HN 0.480 nan 8.190 nan 0.000 0.482 116 H N 6.413 125.472 119.070 -0.018 0.000 2.041 116 H HA -0.127 4.429 4.556 0.000 0.000 0.325 116 H C -1.139 174.169 175.328 -0.033 0.000 0.902 116 H CA 1.059 57.095 56.048 -0.021 0.000 1.073 116 H CB -1.126 28.627 29.762 -0.014 0.000 1.583 116 H HN 0.857 nan 8.280 nan 0.000 0.331 117 P HA -0.417 nan 4.420 nan 0.000 0.233 117 P C 1.642 178.821 177.300 -0.201 0.000 1.100 117 P CA 3.018 65.901 63.100 -0.363 0.000 1.009 117 P CB -0.458 30.924 31.700 -0.530 0.000 0.759 118 T N -4.313 110.166 114.554 -0.125 0.000 3.000 118 T HA -0.203 4.147 4.350 0.000 0.000 0.265 118 T C 1.626 176.329 174.700 0.004 0.000 1.166 118 T CA 1.285 63.402 62.100 0.028 0.000 1.118 118 T CB -0.542 68.426 68.868 0.167 0.000 0.777 118 T HN 0.069 nan 8.240 nan 0.000 0.598 119 I N -0.916 119.635 120.570 -0.032 0.000 3.818 119 I HA 0.174 4.344 4.170 0.000 0.000 0.242 119 I C 2.456 178.541 176.117 -0.053 0.000 1.111 119 I CA 0.258 61.550 61.300 -0.012 0.000 1.576 119 I CB -0.728 37.275 38.000 0.005 0.000 1.572 119 I HN 0.132 nan 8.210 nan 0.000 0.450 120 V N 2.295 122.135 119.914 -0.123 0.000 2.295 120 V HA -0.350 3.770 4.120 0.000 0.000 0.262 120 V C 2.648 178.505 176.094 -0.394 0.000 1.098 120 V CA 3.327 65.449 62.300 -0.296 0.000 1.095 120 V CB -0.454 31.162 31.823 -0.346 0.000 0.704 120 V HN 0.389 nan 8.190 nan 0.000 0.454 121 V N -2.492 117.300 119.914 -0.203 0.000 2.323 121 V HA -0.172 3.948 4.120 0.000 0.000 0.244 121 V C 2.389 178.496 176.094 0.021 0.000 1.041 121 V CA 2.399 64.650 62.300 -0.083 0.000 1.025 121 V CB -1.050 30.737 31.823 -0.060 0.000 0.656 121 V HN 0.533 nan 8.190 nan 0.000 0.451 122 K N 0.970 121.383 120.400 0.020 0.000 2.281 122 K HA -0.039 4.281 4.320 0.000 0.000 0.203 122 K C 1.979 178.626 176.600 0.077 0.000 1.046 122 K CA 1.572 57.883 56.287 0.040 0.000 0.938 122 K CB -0.582 31.934 32.500 0.027 0.000 0.737 122 K HN 0.694 nan 8.250 nan 0.000 0.458 123 G N -1.108 107.780 108.800 0.146 0.000 2.486 123 G HA2 -0.155 3.805 3.960 0.000 0.000 0.210 123 G HA3 -0.155 3.805 3.960 0.000 0.000 0.210 123 G C 0.919 175.967 174.900 0.247 0.000 1.168 123 G CA 0.029 45.267 45.100 0.230 0.000 0.820 123 G HN 0.175 nan 8.290 nan 0.000 0.544 124 Y N 2.084 122.350 120.300 -0.057 0.000 2.315 124 Y HA -0.147 4.404 4.550 0.000 0.000 0.288 124 Y C 3.145 178.889 175.900 -0.261 0.000 1.154 124 Y CA 1.332 59.335 58.100 -0.162 0.000 1.229 124 Y CB -0.169 38.306 38.460 0.024 0.000 0.980 124 Y HN 0.457 nan 8.280 nan 0.000 0.540 125 Q N -1.475 118.333 119.800 0.013 0.000 2.250 125 Q HA 0.110 4.450 4.340 0.000 0.000 0.200 125 Q C 2.237 178.198 176.000 -0.066 0.000 0.941 125 Q CA 0.987 56.769 55.803 -0.035 0.000 0.872 125 Q CB -0.442 28.301 28.738 0.008 0.000 0.965 125 Q HN 0.301 nan 8.270 nan 0.000 0.480 126 A N 1.414 124.216 122.820 -0.031 0.000 2.016 126 A HA 0.269 4.589 4.320 0.000 0.000 0.217 126 A C 2.250 179.777 177.584 -0.095 0.000 1.162 126 A CA 1.060 53.092 52.037 -0.009 0.000 0.662 126 A CB -0.366 18.687 19.000 0.089 0.000 0.812 126 A HN 0.445 nan 8.150 nan 0.000 0.450 127 A N -0.328 122.375 122.820 -0.196 0.000 2.072 127 A HA 0.409 4.729 4.320 0.000 0.000 0.216 127 A C 2.317 179.585 177.584 -0.526 0.000 1.156 127 A CA 1.312 53.126 52.037 -0.372 0.000 0.701 127 A CB -0.672 18.108 19.000 -0.366 0.000 0.816 127 A HN 0.805 nan 8.150 nan 0.000 0.458 128 A N -0.043 122.481 122.820 -0.493 0.000 1.849 128 A HA -0.275 4.045 4.320 0.000 0.000 0.217 128 A C 2.106 179.571 177.584 -0.198 0.000 1.202 128 A CA 1.902 53.751 52.037 -0.313 0.000 0.629 128 A CB -0.705 18.162 19.000 -0.223 0.000 0.834 128 A HN 0.577 nan 8.150 nan 0.000 0.447 129 Q N -1.216 118.484 119.800 -0.167 0.000 2.172 129 Q HA -0.146 4.195 4.340 0.000 0.000 0.200 129 Q C 2.018 177.928 176.000 -0.150 0.000 0.964 129 Q CA 1.622 57.354 55.803 -0.118 0.000 0.855 129 Q CB -0.031 28.661 28.738 -0.077 0.000 0.918 129 Q HN 0.624 nan 8.270 nan 0.000 0.444 130 K N 0.341 120.601 120.400 -0.233 0.000 2.361 130 K HA 0.098 4.418 4.320 0.000 0.000 0.196 130 K C 1.579 178.007 176.600 -0.287 0.000 1.039 130 K CA 0.989 57.076 56.287 -0.333 0.000 1.001 130 K CB -0.106 31.996 32.500 -0.663 0.000 0.795 130 K HN 0.088 nan 8.250 nan 0.000 0.495 131 A N 0.977 123.651 122.820 -0.243 0.000 1.902 131 A HA -0.176 4.144 4.320 0.000 0.000 0.217 131 A C 2.003 179.522 177.584 -0.108 0.000 1.181 131 A CA 1.448 53.390 52.037 -0.159 0.000 0.623 131 A CB -0.576 18.352 19.000 -0.119 0.000 0.818 131 A HN 0.384 nan 8.150 nan 0.000 0.443 132 Q N -0.101 119.639 119.800 -0.100 0.000 2.112 132 Q HA -0.235 4.105 4.340 0.000 0.000 0.206 132 Q C 1.863 177.823 176.000 -0.068 0.000 0.987 132 Q CA 2.139 57.900 55.803 -0.070 0.000 0.858 132 Q CB -0.444 28.255 28.738 -0.064 0.000 0.905 132 Q HN 0.848 nan 8.270 nan 0.000 0.420 133 E N -0.013 120.131 120.200 -0.093 0.000 2.152 133 E HA -0.059 4.291 4.350 0.000 0.000 0.192 133 E C 2.178 178.735 176.600 -0.071 0.000 0.983 133 E CA 0.468 56.822 56.400 -0.078 0.000 0.818 133 E CB -0.000 29.649 29.700 -0.084 0.000 0.758 133 E HN 0.278 nan 8.360 nan 0.000 0.467 134 L N 0.415 121.583 121.223 -0.092 0.000 2.109 134 L HA -0.107 4.233 4.340 0.000 0.000 0.207 134 L C 2.156 178.996 176.870 -0.050 0.000 1.086 134 L CA 0.430 55.227 54.840 -0.073 0.000 0.760 134 L CB -0.309 41.696 42.059 -0.089 0.000 0.910 134 L HN 0.191 nan 8.230 nan 0.000 0.437 135 L N 0.458 121.653 121.223 -0.047 0.000 2.552 135 L HA -0.069 4.271 4.340 0.000 0.000 0.227 135 L C 1.678 178.537 176.870 -0.019 0.000 1.146 135 L CA 1.513 56.335 54.840 -0.030 0.000 0.858 135 L CB -0.558 41.485 42.059 -0.027 0.000 0.969 135 L HN 0.338 nan 8.230 nan 0.000 0.451 136 K N -1.817 118.570 120.400 -0.023 0.000 2.358 136 K HA 0.047 4.367 4.320 0.000 0.000 0.200 136 K C 1.761 178.356 176.600 -0.008 0.000 1.030 136 K CA 0.503 56.782 56.287 -0.014 0.000 1.097 136 K CB 0.389 32.879 32.500 -0.016 0.000 0.862 136 K HN 0.211 nan 8.250 nan 0.000 0.534 137 T N -0.498 114.051 114.554 -0.009 0.000 2.953 137 T HA -0.006 4.344 4.350 0.000 0.000 0.247 137 T C 1.981 176.690 174.700 0.014 0.000 1.029 137 T CA 0.243 62.343 62.100 0.000 0.000 1.144 137 T CB -0.308 68.559 68.868 -0.002 0.000 0.870 137 T HN 0.279 nan 8.240 nan 0.000 0.446 138 I N 0.947 121.527 120.570 0.016 0.000 2.850 138 I HA 0.319 4.489 4.170 0.000 0.000 0.266 138 I C 1.312 177.455 176.117 0.043 0.000 1.257 138 I CA 0.067 61.395 61.300 0.046 0.000 1.465 138 I CB -1.437 36.587 38.000 0.040 0.000 1.091 138 I HN 0.297 nan 8.210 nan 0.000 0.467 139 A N 2.052 124.885 122.820 0.023 0.000 2.279 139 A HA -0.141 4.179 4.320 0.000 0.000 0.316 139 A C 0.518 178.115 177.584 0.022 0.000 0.864 139 A CA 0.877 52.925 52.037 0.018 0.000 1.333 139 A CB -1.458 17.548 19.000 0.010 0.000 0.677 139 A HN 0.756 nan 8.150 nan 0.000 0.316 140 C N 3.108 122.419 119.300 0.019 0.000 2.250 140 C HA 0.592 5.052 4.460 0.000 0.000 0.319 140 C C 0.132 175.127 174.990 0.008 0.000 1.124 140 C CA -1.046 57.979 59.018 0.013 0.000 1.527 140 C CB -0.296 27.449 27.740 0.009 0.000 2.001 140 C HN 0.784 nan 8.230 nan 0.000 0.435 141 E N 2.267 122.471 120.200 0.006 0.000 2.152 141 E HA 0.457 4.807 4.350 0.000 0.000 0.285 141 E C 0.247 176.849 176.600 0.003 0.000 1.043 141 E CA -0.092 56.311 56.400 0.005 0.000 0.839 141 E CB 1.479 31.181 29.700 0.004 0.000 1.069 141 E HN 0.723 nan 8.360 nan 0.000 0.399 142 V N 0.581 120.497 119.914 0.003 0.000 3.369 142 V HA 0.700 4.820 4.120 0.000 0.000 0.301 142 V C 0.726 176.821 176.094 0.002 0.000 1.184 142 V CA -1.087 61.214 62.300 0.002 0.000 1.013 142 V CB 0.936 32.760 31.823 0.002 0.000 1.230 142 V HN 0.613 nan 8.190 nan 0.000 0.464 143 G N -1.570 107.231 108.800 0.002 0.000 2.507 143 G HA2 0.530 4.490 3.960 0.000 0.000 0.271 143 G HA3 0.530 4.490 3.960 0.000 0.000 0.271 143 G C 0.644 175.545 174.900 0.002 0.000 1.189 143 G CA -0.027 45.074 45.100 0.002 0.000 0.859 143 G HN 1.270 nan 8.290 nan 0.000 0.542 144 A N 0.346 123.167 122.820 0.002 0.000 1.984 144 A HA 0.087 4.407 4.320 0.000 0.000 0.214 144 A C 1.956 179.541 177.584 0.002 0.000 1.173 144 A CA 1.417 53.455 52.037 0.002 0.000 0.673 144 A CB -0.144 18.857 19.000 0.001 0.000 0.830 144 A HN 0.659 nan 8.150 nan 0.000 0.453 145 Q N 0.501 120.302 119.800 0.002 0.000 2.228 145 Q HA 0.161 4.502 4.340 0.000 0.000 0.211 145 Q C -0.415 175.587 176.000 0.002 0.000 0.890 145 Q CA -0.155 55.650 55.803 0.002 0.000 0.953 145 Q CB -0.432 28.308 28.738 0.003 0.000 1.053 145 Q HN 0.394 nan 8.270 nan 0.000 0.471 146 D N 0.524 120.926 120.400 0.002 0.000 2.368 146 D HA 0.004 4.644 4.640 0.000 0.000 0.240 146 D C 0.554 176.855 176.300 0.002 0.000 1.169 146 D CA 0.192 54.193 54.000 0.002 0.000 0.906 146 D CB 1.042 41.843 40.800 0.002 0.000 1.187 146 D HN 0.223 nan 8.370 nan 0.000 0.435 147 K N 1.424 121.825 120.400 0.002 0.000 2.056 147 K HA -0.080 4.240 4.320 0.000 0.000 0.205 147 K C 1.519 178.121 176.600 0.002 0.000 1.035 147 K CA 0.438 56.727 56.287 0.002 0.000 0.955 147 K CB -0.125 32.376 32.500 0.002 0.000 0.769 147 K HN 0.617 nan 8.250 nan 0.000 0.447 148 E N 0.840 121.041 120.200 0.002 0.000 2.520 148 E HA -0.313 4.037 4.350 0.000 0.000 0.248 148 E C 1.683 178.285 176.600 0.003 0.000 0.958 148 E CA 3.153 59.554 56.400 0.003 0.000 1.105 148 E CB -0.620 29.081 29.700 0.002 0.000 1.086 148 E HN 0.466 nan 8.360 nan 0.000 0.523 149 I N -0.758 119.814 120.570 0.003 0.000 2.850 149 I HA -0.133 4.037 4.170 0.000 0.000 0.266 149 I C 2.229 178.349 176.117 0.004 0.000 1.257 149 I CA 0.646 61.948 61.300 0.004 0.000 1.465 149 I CB -0.218 37.785 38.000 0.003 0.000 1.091 149 I HN 0.119 nan 8.210 nan 0.000 0.467 150 L N 1.437 122.662 121.223 0.003 0.000 2.044 150 L HA -0.112 4.228 4.340 0.000 0.000 0.205 150 L C 2.962 179.834 176.870 0.004 0.000 1.075 150 L CA 2.462 57.304 54.840 0.003 0.000 0.747 150 L CB -1.281 40.779 42.059 0.002 0.000 0.903 150 L HN 0.590 nan 8.230 nan 0.000 0.435 151 T N -3.086 111.471 114.554 0.004 0.000 2.822 151 T HA -0.261 4.089 4.350 0.000 0.000 0.270 151 T C 1.921 176.626 174.700 0.007 0.000 1.064 151 T CA 1.391 63.494 62.100 0.005 0.000 1.131 151 T CB -0.262 68.609 68.868 0.005 0.000 0.858 151 T HN 0.262 nan 8.240 nan 0.000 0.483 152 K N 0.810 121.214 120.400 0.008 0.000 1.991 152 K HA 0.066 4.386 4.320 0.000 0.000 0.207 152 K C 2.446 179.052 176.600 0.010 0.000 1.045 152 K CA 1.563 57.856 56.287 0.010 0.000 0.937 152 K CB -0.380 32.125 32.500 0.009 0.000 0.720 152 K HN 0.433 nan 8.250 nan 0.000 0.438 153 I N 1.390 121.965 120.570 0.008 0.000 2.087 153 I HA -0.335 3.835 4.170 0.000 0.000 0.240 153 I C 2.622 178.743 176.117 0.006 0.000 1.054 153 I CA 1.662 62.966 61.300 0.006 0.000 1.311 153 I CB -1.391 36.612 38.000 0.005 0.000 1.024 153 I HN 0.092 nan 8.210 nan 0.000 0.402 154 A N 2.740 125.563 122.820 0.005 0.000 1.870 154 A HA -0.315 4.005 4.320 0.000 0.000 0.219 154 A C 2.430 180.019 177.584 0.008 0.000 1.224 154 A CA 3.339 55.379 52.037 0.005 0.000 0.650 154 A CB -1.058 17.945 19.000 0.004 0.000 0.836 154 A HN 0.698 nan 8.150 nan 0.000 0.454 155 M N -2.151 117.456 119.600 0.011 0.000 2.374 155 M HA 0.002 4.482 4.480 0.000 0.000 0.264 155 M C 1.429 177.740 176.300 0.019 0.000 1.067 155 M CA 2.300 57.609 55.300 0.016 0.000 1.103 155 M CB -0.995 31.616 32.600 0.018 0.000 1.402 155 M HN 0.097 nan 8.290 nan 0.000 0.444 156 T N -0.091 114.473 114.554 0.017 0.000 3.148 156 T HA 0.127 4.478 4.350 0.000 0.000 0.253 156 T C 1.746 176.452 174.700 0.011 0.000 1.134 156 T CA 0.816 62.925 62.100 0.016 0.000 1.051 156 T CB -0.125 68.752 68.868 0.015 0.000 0.959 156 T HN 0.499 nan 8.240 nan 0.000 0.525 157 S N 0.799 116.504 115.700 0.009 0.000 2.478 157 S HA 0.270 4.740 4.470 0.000 0.000 0.222 157 S C 1.157 175.761 174.600 0.007 0.000 1.008 157 S CA 0.243 58.447 58.200 0.006 0.000 0.928 157 S CB 0.021 63.222 63.200 0.002 0.000 0.781 157 S HN 0.454 nan 8.310 nan 0.000 0.518 158 I N 2.716 123.293 120.570 0.011 0.000 3.712 158 I HA 0.133 4.303 4.170 0.000 0.000 0.342 158 I C 0.297 176.428 176.117 0.024 0.000 1.487 158 I CA -0.164 61.144 61.300 0.014 0.000 1.179 158 I CB -0.203 37.805 38.000 0.014 0.000 1.403 158 I HN 0.168 nan 8.210 nan 0.000 0.444 159 T N -2.699 111.870 114.554 0.025 0.000 2.924 159 T HA 0.573 4.923 4.350 0.000 0.000 0.291 159 T C 0.851 175.567 174.700 0.027 0.000 1.045 159 T CA -0.360 61.761 62.100 0.035 0.000 1.015 159 T CB 1.865 70.755 68.868 0.036 0.000 1.103 159 T HN 0.328 nan 8.240 nan 0.000 0.496 160 G N 1.576 110.396 108.800 0.032 0.000 2.385 160 G HA2 -0.196 3.764 3.960 0.000 0.000 0.284 160 G HA3 -0.196 3.764 3.960 0.000 0.000 0.284 160 G C -0.315 174.601 174.900 0.028 0.000 0.899 160 G CA 0.609 45.725 45.100 0.028 0.000 1.204 160 G HN 0.910 nan 8.290 nan 0.000 0.486 161 K N -1.367 119.053 120.400 0.035 0.000 2.532 161 K HA 0.558 4.878 4.320 0.000 0.000 0.265 161 K C 1.536 178.157 176.600 0.036 0.000 0.948 161 K CA -0.508 55.797 56.287 0.030 0.000 0.842 161 K CB 1.108 33.621 32.500 0.021 0.000 1.392 161 K HN 0.431 nan 8.250 nan 0.000 0.436 162 G N 1.237 110.060 108.800 0.039 0.000 3.437 162 G HA2 -0.307 3.653 3.960 0.000 0.000 0.238 162 G HA3 -0.307 3.653 3.960 0.000 0.000 0.238 162 G C 0.282 175.203 174.900 0.035 0.000 1.054 162 G CA 1.818 46.944 45.100 0.043 0.000 0.704 162 G HN 0.725 nan 8.290 nan 0.000 0.713 163 A N -0.764 122.072 122.820 0.028 0.000 2.664 163 A HA 0.592 4.912 4.320 0.000 0.000 0.300 163 A C 0.644 178.241 177.584 0.023 0.000 1.210 163 A CA 0.988 53.040 52.037 0.026 0.000 0.863 163 A CB 0.132 19.145 19.000 0.021 0.000 1.464 163 A HN 0.559 nan 8.150 nan 0.000 0.438 164 E N 2.020 122.238 120.200 0.030 0.000 2.332 164 E HA -0.396 3.954 4.350 0.000 0.000 0.223 164 E C 1.445 178.063 176.600 0.029 0.000 1.095 164 E CA 2.359 58.782 56.400 0.037 0.000 0.897 164 E CB -0.221 29.515 29.700 0.059 0.000 0.763 164 E HN 0.474 nan 8.360 nan 0.000 0.464 165 K N 0.723 121.136 120.400 0.022 0.000 1.986 165 K HA -0.179 4.141 4.320 0.000 0.000 0.230 165 K C 1.966 178.570 176.600 0.006 0.000 1.048 165 K CA 2.005 58.299 56.287 0.011 0.000 1.008 165 K CB -1.379 31.128 32.500 0.011 0.000 0.737 165 K HN 0.413 nan 8.250 nan 0.000 0.447 166 A N 1.918 124.743 122.820 0.009 0.000 2.281 166 A HA -0.049 4.271 4.320 0.000 0.000 0.231 166 A C 1.628 179.217 177.584 0.008 0.000 1.317 166 A CA 0.926 52.967 52.037 0.007 0.000 0.959 166 A CB -0.739 18.266 19.000 0.008 0.000 0.900 166 A HN 0.480 nan 8.150 nan 0.000 0.497 167 K N 0.384 120.790 120.400 0.010 0.000 2.034 167 K HA -0.260 4.060 4.320 0.000 0.000 0.214 167 K C 1.607 178.212 176.600 0.009 0.000 1.051 167 K CA 1.985 58.280 56.287 0.013 0.000 0.931 167 K CB -0.343 32.168 32.500 0.019 0.000 0.715 167 K HN 0.486 nan 8.250 nan 0.000 0.446 168 E N 0.059 120.263 120.200 0.006 0.000 2.358 168 E HA -0.083 4.267 4.350 0.000 0.000 0.195 168 E C 1.427 178.030 176.600 0.004 0.000 1.010 168 E CA 0.414 56.816 56.400 0.004 0.000 0.856 168 E CB 0.287 29.989 29.700 0.002 0.000 0.795 168 E HN 0.121 nan 8.360 nan 0.000 0.504 169 K N 0.022 120.424 120.400 0.004 0.000 2.323 169 K HA 0.053 4.373 4.320 0.000 0.000 0.197 169 K C 1.608 178.211 176.600 0.005 0.000 1.043 169 K CA 0.092 56.381 56.287 0.004 0.000 0.997 169 K CB 0.174 32.677 32.500 0.005 0.000 0.807 169 K HN 0.171 nan 8.250 nan 0.000 0.497 170 L N 0.480 121.707 121.223 0.005 0.000 2.131 170 L HA 0.093 4.433 4.340 0.000 0.000 0.206 170 L C 2.067 178.939 176.870 0.003 0.000 1.087 170 L CA 1.433 56.275 54.840 0.005 0.000 0.767 170 L CB -1.120 40.942 42.059 0.005 0.000 0.917 170 L HN 0.010 nan 8.230 nan 0.000 0.441 171 A N -1.015 121.808 122.820 0.005 0.000 2.016 171 A HA -0.144 4.176 4.320 0.000 0.000 0.217 171 A C 2.240 179.826 177.584 0.003 0.000 1.162 171 A CA 1.153 53.192 52.037 0.004 0.000 0.662 171 A CB -0.353 18.650 19.000 0.006 0.000 0.812 171 A HN 0.481 nan 8.150 nan 0.000 0.450 172 E N 1.164 121.366 120.200 0.003 0.000 2.028 172 E HA -0.186 4.164 4.350 0.000 0.000 0.191 172 E C 1.880 178.482 176.600 0.003 0.000 0.988 172 E CA 1.814 58.215 56.400 0.003 0.000 0.799 172 E CB -0.358 29.344 29.700 0.003 0.000 0.755 172 E HN 0.736 nan 8.360 nan 0.000 0.447 173 I N -0.229 120.343 120.570 0.003 0.000 3.111 173 I HA -0.017 4.153 4.170 0.000 0.000 0.272 173 I C 2.517 178.634 176.117 0.000 0.000 1.268 173 I CA 0.405 61.706 61.300 0.003 0.000 1.467 173 I CB -0.642 37.362 38.000 0.006 0.000 1.087 173 I HN 0.107 nan 8.210 nan 0.000 0.467 174 I N -0.443 120.127 120.570 -0.001 0.000 2.277 174 I HA -0.053 4.117 4.170 0.000 0.000 0.243 174 I C 2.323 178.439 176.117 -0.003 0.000 1.094 174 I CA 0.901 62.199 61.300 -0.003 0.000 1.393 174 I CB -0.747 37.251 38.000 -0.004 0.000 1.078 174 I HN -0.036 nan 8.210 nan 0.000 0.417 175 V N 1.509 121.422 119.914 -0.001 0.000 2.548 175 V HA -0.150 3.970 4.120 0.000 0.000 0.249 175 V C 2.439 178.533 176.094 -0.001 0.000 1.055 175 V CA 1.783 64.083 62.300 -0.001 0.000 1.065 175 V CB -0.760 31.063 31.823 0.001 0.000 0.681 175 V HN 0.444 nan 8.190 nan 0.000 0.462 176 E N -0.196 120.004 120.200 -0.000 0.000 2.435 176 E HA 0.014 4.364 4.350 0.000 0.000 0.195 176 E C 2.171 178.769 176.600 -0.002 0.000 1.029 176 E CA 0.826 57.227 56.400 0.000 0.000 0.865 176 E CB 0.034 29.735 29.700 0.002 0.000 0.833 176 E HN 0.605 nan 8.360 nan 0.000 0.510 177 A N 0.642 123.459 122.820 -0.005 0.000 1.935 177 A HA -0.040 4.280 4.320 0.000 0.000 0.214 177 A C 2.370 179.947 177.584 -0.013 0.000 1.178 177 A CA 0.448 52.479 52.037 -0.010 0.000 0.640 177 A CB -0.168 18.825 19.000 -0.012 0.000 0.825 177 A HN 0.074 nan 8.150 nan 0.000 0.447 178 V N 0.022 119.930 119.914 -0.010 0.000 2.307 178 V HA -0.164 3.956 4.120 0.000 0.000 0.245 178 V C 2.428 178.518 176.094 -0.007 0.000 1.045 178 V CA 2.221 64.515 62.300 -0.010 0.000 1.024 178 V CB -0.821 30.997 31.823 -0.008 0.000 0.651 178 V HN 0.485 nan 8.190 nan 0.000 0.449 179 S N 0.041 115.739 115.700 -0.004 0.000 2.603 179 S HA 0.141 4.611 4.470 0.000 0.000 0.229 179 S C 1.785 176.385 174.600 -0.001 0.000 0.972 179 S CA 0.870 59.070 58.200 -0.001 0.000 0.935 179 S CB -0.070 63.131 63.200 0.001 0.000 0.769 179 S HN 0.630 nan 8.310 nan 0.000 0.536 180 A N 0.752 123.569 122.820 -0.005 0.000 2.140 180 A HA 0.255 4.575 4.320 0.000 0.000 0.209 180 A C 2.124 179.699 177.584 -0.014 0.000 1.181 180 A CA 0.493 52.527 52.037 -0.006 0.000 0.824 180 A CB -0.374 18.623 19.000 -0.005 0.000 0.879 180 A HN 0.408 nan 8.150 nan 0.000 0.480 181 V N -1.932 117.971 119.914 -0.019 0.000 2.239 181 V HA -0.009 4.111 4.120 0.000 0.000 0.242 181 V C 1.519 177.603 176.094 -0.016 0.000 1.038 181 V CA 0.986 63.270 62.300 -0.026 0.000 1.002 181 V CB -1.574 30.230 31.823 -0.031 0.000 0.641 181 V HN 0.219 nan 8.190 nan 0.000 0.449 182 V N 4.067 123.976 119.914 -0.009 0.000 2.780 182 V HA -0.007 4.114 4.120 0.000 0.000 0.301 182 V C -0.250 175.846 176.094 0.004 0.000 1.168 182 V CA 1.089 63.388 62.300 -0.003 0.000 1.305 182 V CB -0.471 31.351 31.823 -0.002 0.000 0.858 182 V HN 0.917 nan 8.190 nan 0.000 0.502 183 D N 5.851 126.255 120.400 0.006 0.000 2.344 183 D HA 0.323 4.963 4.640 0.000 0.000 0.239 183 D C -0.198 176.108 176.300 0.010 0.000 1.064 183 D CA -0.318 53.690 54.000 0.014 0.000 0.829 183 D CB 1.509 42.322 40.800 0.021 0.000 1.129 183 D HN 0.705 nan 8.370 nan 0.000 0.506 184 D N 1.971 122.377 120.400 0.010 0.000 3.061 184 D HA -0.204 4.436 4.640 0.000 0.000 0.252 184 D C 0.083 176.386 176.300 0.005 0.000 1.080 184 D CA 0.283 54.288 54.000 0.008 0.000 0.871 184 D CB -1.163 39.642 40.800 0.008 0.000 1.018 184 D HN 0.598 nan 8.370 nan 0.000 0.425 185 E N 0.628 120.831 120.200 0.005 0.000 3.751 185 E HA -0.028 4.322 4.350 0.000 0.000 0.256 185 E C 1.153 177.754 176.600 0.002 0.000 1.062 185 E CA 1.069 57.471 56.400 0.003 0.000 1.049 185 E CB -0.853 28.849 29.700 0.004 0.000 0.990 185 E HN 0.565 nan 8.360 nan 0.000 0.416 186 G N 1.394 110.195 108.800 0.001 0.000 2.578 186 G HA2 0.030 3.990 3.960 0.000 0.000 0.184 186 G HA3 0.030 3.990 3.960 0.000 0.000 0.184 186 G C -0.160 174.740 174.900 -0.000 0.000 1.289 186 G CA -0.289 44.812 45.100 0.001 0.000 0.847 186 G HN 0.142 nan 8.290 nan 0.000 0.880 187 K N -0.190 120.209 120.400 -0.001 0.000 2.542 187 K HA 0.667 4.987 4.320 0.000 0.000 0.259 187 K C -1.675 174.923 176.600 -0.003 0.000 0.932 187 K CA -0.606 55.680 56.287 -0.002 0.000 0.820 187 K CB 2.330 34.830 32.500 -0.001 0.000 1.345 187 K HN 0.051 nan 8.250 nan 0.000 0.432 188 V N 3.419 123.330 119.914 -0.005 0.000 2.850 188 V HA 0.233 4.354 4.120 0.000 0.000 0.284 188 V C -1.486 174.602 176.094 -0.010 0.000 0.940 188 V CA -0.602 61.694 62.300 -0.007 0.000 1.131 188 V CB 0.734 32.553 31.823 -0.007 0.000 1.024 188 V HN 0.806 nan 8.190 nan 0.000 0.513 189 D N 2.613 123.006 120.400 -0.012 0.000 2.350 189 D HA 0.254 4.894 4.640 0.000 0.000 0.249 189 D C 1.221 177.510 176.300 -0.018 0.000 1.119 189 D CA -0.116 53.875 54.000 -0.015 0.000 0.886 189 D CB 1.268 42.058 40.800 -0.017 0.000 1.195 189 D HN 0.428 nan 8.370 nan 0.000 0.437 190 K N 1.672 122.061 120.400 -0.018 0.000 2.067 190 K HA -0.051 4.269 4.320 0.000 0.000 0.203 190 K C 0.680 177.265 176.600 -0.025 0.000 1.048 190 K CA 0.479 56.753 56.287 -0.020 0.000 0.954 190 K CB 0.081 32.571 32.500 -0.018 0.000 0.737 190 K HN 0.271 nan 8.250 nan 0.000 0.444 191 D N 1.540 121.924 120.400 -0.027 0.000 2.221 191 D HA -0.110 4.530 4.640 0.000 0.000 0.204 191 D C 1.660 177.936 176.300 -0.039 0.000 0.982 191 D CA 0.853 54.834 54.000 -0.031 0.000 0.857 191 D CB -0.070 40.712 40.800 -0.029 0.000 0.934 191 D HN 0.018 nan 8.370 nan 0.000 0.475 192 L N 0.208 121.407 121.223 -0.039 0.000 2.551 192 L HA 0.026 4.366 4.340 0.000 0.000 0.228 192 L C 0.867 177.709 176.870 -0.047 0.000 1.153 192 L CA 0.639 55.450 54.840 -0.048 0.000 0.851 192 L CB -0.258 41.769 42.059 -0.052 0.000 0.959 192 L HN -0.004 nan 8.230 nan 0.000 0.451 193 I N 0.152 120.699 120.570 -0.040 0.000 2.388 193 I HA 0.152 4.322 4.170 0.000 0.000 0.281 193 I C 0.548 176.641 176.117 -0.040 0.000 1.046 193 I CA -0.433 60.844 61.300 -0.038 0.000 1.187 193 I CB 0.664 38.646 38.000 -0.030 0.000 1.351 193 I HN 0.026 nan 8.210 nan 0.000 0.472 194 K N 6.754 127.125 120.400 -0.049 0.000 2.180 194 K HA 0.392 4.712 4.320 0.000 0.000 0.251 194 K C -0.047 176.525 176.600 -0.047 0.000 1.014 194 K CA -0.185 56.071 56.287 -0.052 0.000 0.913 194 K CB 0.928 33.389 32.500 -0.066 0.000 1.008 194 K HN 0.692 nan 8.250 nan 0.000 0.490 195 I N 0.119 120.661 120.570 -0.048 0.000 2.948 195 I HA 0.280 4.450 4.170 0.000 0.000 0.308 195 I C -0.830 175.261 176.117 -0.042 0.000 1.478 195 I CA -0.926 60.349 61.300 -0.041 0.000 0.843 195 I CB 1.095 39.074 38.000 -0.035 0.000 2.100 195 I HN 0.361 nan 8.210 nan 0.000 0.625 196 E N 3.587 123.757 120.200 -0.049 0.000 2.316 196 E HA 0.301 4.652 4.350 0.000 0.000 0.275 196 E C -0.683 175.896 176.600 -0.035 0.000 1.029 196 E CA -0.058 56.309 56.400 -0.056 0.000 0.871 196 E CB 0.784 30.430 29.700 -0.091 0.000 1.022 196 E HN 0.510 nan 8.360 nan 0.000 0.418 197 K N 4.507 124.890 120.400 -0.029 0.000 2.449 197 K HA 0.514 4.834 4.320 0.000 0.000 0.257 197 K C -0.502 176.095 176.600 -0.005 0.000 0.989 197 K CA -0.995 55.283 56.287 -0.015 0.000 0.916 197 K CB 1.356 33.844 32.500 -0.019 0.000 1.136 197 K HN 0.145 nan 8.250 nan 0.000 0.439 198 K N 1.082 121.488 120.400 0.010 0.000 2.509 198 K HA 0.413 4.733 4.320 0.000 0.000 0.266 198 K C -0.519 176.099 176.600 0.030 0.000 0.987 198 K CA -0.785 55.516 56.287 0.024 0.000 0.868 198 K CB 2.198 34.719 32.500 0.036 0.000 1.421 198 K HN 0.574 nan 8.250 nan 0.000 0.444 199 S N -0.487 115.232 115.700 0.031 0.000 2.655 199 S HA 0.683 5.153 4.470 0.000 0.000 0.265 199 S C 0.153 174.772 174.600 0.032 0.000 1.240 199 S CA -0.019 58.199 58.200 0.030 0.000 0.986 199 S CB 0.712 63.929 63.200 0.028 0.000 0.985 199 S HN 0.843 nan 8.310 nan 0.000 0.562 200 G N -0.426 108.390 108.800 0.027 0.000 3.307 200 G HA2 0.445 4.406 3.960 0.000 0.000 0.686 200 G HA3 0.445 4.406 3.960 0.000 0.000 0.686 200 G C -0.197 174.718 174.900 0.025 0.000 0.983 200 G CA -0.523 44.592 45.100 0.026 0.000 0.804 200 G HN 1.984 nan 8.290 nan 0.000 0.531 201 A N 0.201 123.033 122.820 0.019 0.000 2.366 201 A HA 0.748 5.068 4.320 0.000 0.000 0.349 201 A C 0.256 177.848 177.584 0.014 0.000 0.945 201 A CA 0.822 52.869 52.037 0.017 0.000 0.492 201 A CB -1.006 18.003 19.000 0.015 0.000 1.914 201 A HN 2.595 nan 8.150 nan 0.000 0.693 202 S N -1.763 113.945 115.700 0.012 0.000 2.810 202 S HA 0.704 5.174 4.470 0.000 0.000 0.315 202 S C 1.713 176.320 174.600 0.012 0.000 1.138 202 S CA -0.170 58.036 58.200 0.011 0.000 0.889 202 S CB 0.543 63.747 63.200 0.007 0.000 1.236 202 S HN 1.394 nan 8.310 nan 0.000 0.548 203 I N 1.026 121.602 120.570 0.010 0.000 2.182 203 I HA -0.254 3.916 4.170 0.000 0.000 0.248 203 I C 0.994 177.116 176.117 0.009 0.000 1.073 203 I CA 1.913 63.219 61.300 0.010 0.000 1.335 203 I CB -0.734 37.270 38.000 0.008 0.000 1.031 203 I HN 0.571 nan 8.210 nan 0.000 0.420 204 D N -0.438 119.967 120.400 0.007 0.000 2.417 204 D HA -0.017 4.623 4.640 0.000 0.000 0.207 204 D C 1.001 177.306 176.300 0.008 0.000 1.075 204 D CA 0.307 54.310 54.000 0.006 0.000 0.851 204 D CB 0.255 41.057 40.800 0.003 0.000 0.976 204 D HN 0.293 nan 8.370 nan 0.000 0.505 205 D N 1.667 122.073 120.400 0.010 0.000 2.395 205 D HA 0.005 4.646 4.640 0.000 0.000 0.226 205 D C -0.084 176.227 176.300 0.018 0.000 1.146 205 D CA 0.097 54.105 54.000 0.012 0.000 0.830 205 D CB 0.309 41.116 40.800 0.013 0.000 0.958 205 D HN 0.069 nan 8.370 nan 0.000 0.501 206 T N -0.782 113.783 114.554 0.017 0.000 2.897 206 T HA 0.411 4.761 4.350 0.000 0.000 0.294 206 T C 0.369 175.083 174.700 0.022 0.000 1.004 206 T CA -0.777 61.336 62.100 0.021 0.000 1.106 206 T CB 2.024 70.901 68.868 0.015 0.000 0.949 206 T HN 0.169 nan 8.240 nan 0.000 0.520 207 E N 1.412 121.629 120.200 0.030 0.000 2.316 207 E HA 0.623 4.974 4.350 0.000 0.000 0.258 207 E C -1.318 175.300 176.600 0.030 0.000 0.952 207 E CA -1.318 55.100 56.400 0.031 0.000 0.818 207 E CB 1.344 31.067 29.700 0.039 0.000 1.260 207 E HN 0.412 nan 8.360 nan 0.000 0.416 208 L N 2.409 123.649 121.223 0.027 0.000 2.445 208 L HA 0.307 4.647 4.340 0.000 0.000 0.252 208 L C -0.422 176.465 176.870 0.028 0.000 1.105 208 L CA -0.679 54.173 54.840 0.021 0.000 0.943 208 L CB 0.659 42.725 42.059 0.011 0.000 1.277 208 L HN 0.622 nan 8.230 nan 0.000 0.465 209 I N 1.798 122.395 120.570 0.044 0.000 2.907 209 I HA -0.028 4.142 4.170 0.000 0.000 0.285 209 I C 1.073 177.207 176.117 0.029 0.000 1.189 209 I CA 0.134 61.468 61.300 0.057 0.000 1.376 209 I CB 0.149 38.212 38.000 0.105 0.000 1.420 209 I HN 0.743 nan 8.210 nan 0.000 0.544 210 K N 5.150 125.566 120.400 0.028 0.000 2.965 210 K HA 0.197 4.517 4.320 0.000 0.000 0.248 210 K C 0.438 177.039 176.600 0.002 0.000 0.874 210 K CA 0.456 56.751 56.287 0.012 0.000 1.063 210 K CB -0.680 31.820 32.500 0.001 0.000 0.923 210 K HN 0.944 nan 8.250 nan 0.000 0.461 211 G N -0.310 108.488 108.800 -0.003 0.000 2.726 211 G HA2 0.364 4.324 3.960 0.000 0.000 0.198 211 G HA3 0.364 4.324 3.960 0.000 0.000 0.198 211 G C -1.571 173.301 174.900 -0.047 0.000 1.195 211 G CA -0.553 44.536 45.100 -0.019 0.000 0.951 211 G HN 0.025 nan 8.290 nan 0.000 0.532 212 V N 0.695 120.568 119.914 -0.069 0.000 2.588 212 V HA 0.689 4.809 4.120 0.000 0.000 0.304 212 V C -0.974 175.029 176.094 -0.153 0.000 1.042 212 V CA -0.615 61.612 62.300 -0.122 0.000 0.877 212 V CB 1.683 33.408 31.823 -0.163 0.000 0.996 212 V HN 0.638 nan 8.190 nan 0.000 0.425 213 L N 6.702 127.809 121.223 -0.194 0.000 2.372 213 L HA 0.776 5.116 4.340 0.000 0.000 0.274 213 L C -0.633 176.088 176.870 -0.248 0.000 0.988 213 L CA -0.579 54.075 54.840 -0.311 0.000 0.833 213 L CB 1.779 43.581 42.059 -0.429 0.000 1.236 213 L HN 0.611 nan 8.230 nan 0.000 0.410 214 V N 0.809 120.593 119.914 -0.216 0.000 2.732 214 V HA 0.538 4.658 4.120 0.000 0.000 0.310 214 V C -0.409 175.625 176.094 -0.101 0.000 1.053 214 V CA -0.597 61.617 62.300 -0.144 0.000 0.957 214 V CB 1.933 33.678 31.823 -0.128 0.000 1.018 214 V HN 0.696 nan 8.190 nan 0.000 0.452 215 D N 2.091 122.454 120.400 -0.062 0.000 3.139 215 D HA 0.412 5.052 4.640 0.000 0.000 0.268 215 D C -0.500 175.805 176.300 0.008 0.000 1.322 215 D CA -0.034 53.946 54.000 -0.033 0.000 0.940 215 D CB 0.252 41.032 40.800 -0.034 0.000 1.050 215 D HN 0.514 nan 8.370 nan 0.000 0.503 216 K N 0.555 120.978 120.400 0.038 0.000 2.378 216 K HA 0.388 4.709 4.320 0.000 0.000 0.252 216 K C -0.126 176.521 176.600 0.078 0.000 0.931 216 K CA -0.558 55.771 56.287 0.070 0.000 0.794 216 K CB 2.046 34.609 32.500 0.107 0.000 1.181 216 K HN -0.020 nan 8.250 nan 0.000 0.425 217 E N 1.493 121.726 120.200 0.055 0.000 2.239 217 E HA 0.362 4.712 4.350 0.000 0.000 0.261 217 E C -0.516 176.102 176.600 0.029 0.000 1.016 217 E CA -1.039 55.388 56.400 0.046 0.000 0.882 217 E CB 1.030 30.751 29.700 0.036 0.000 1.190 217 E HN 0.271 nan 8.360 nan 0.000 0.415 218 R N 1.475 121.984 120.500 0.016 0.000 2.498 218 R HA -0.021 4.319 4.340 0.000 0.000 0.334 218 R C 1.145 177.440 176.300 -0.007 0.000 1.106 218 R CA -0.164 55.932 56.100 -0.006 0.000 0.995 218 R CB -0.198 30.094 30.300 -0.013 0.000 0.989 218 R HN 0.376 nan 8.270 nan 0.000 0.455 219 V N 2.555 122.462 119.914 -0.011 0.000 2.240 219 V HA -0.314 3.806 4.120 0.000 0.000 0.257 219 V C 1.039 177.133 176.094 0.001 0.000 1.067 219 V CA 2.449 64.748 62.300 -0.003 0.000 1.067 219 V CB -0.028 31.790 31.823 -0.008 0.000 0.683 219 V HN 0.787 nan 8.190 nan 0.000 0.461 220 S N -1.223 114.473 115.700 -0.005 0.000 2.422 220 S HA 0.604 5.075 4.470 0.000 0.000 0.308 220 S C 0.486 175.084 174.600 -0.003 0.000 1.097 220 S CA -0.200 58.001 58.200 0.001 0.000 1.099 220 S CB 1.376 64.575 63.200 -0.002 0.000 0.976 220 S HN 0.691 nan 8.310 nan 0.000 0.471 221 A N 4.790 127.615 122.820 0.008 0.000 2.261 221 A HA 0.120 4.440 4.320 0.000 0.000 0.208 221 A C 1.863 179.448 177.584 0.002 0.000 1.223 221 A CA 0.203 52.244 52.037 0.007 0.000 0.833 221 A CB -0.182 18.825 19.000 0.013 0.000 0.830 221 A HN 0.846 nan 8.150 nan 0.000 0.483 222 Q N -0.273 119.521 119.800 -0.010 0.000 2.061 222 Q HA 0.051 4.391 4.340 0.000 0.000 0.195 222 Q C 0.509 176.485 176.000 -0.040 0.000 0.967 222 Q CA 0.382 56.163 55.803 -0.036 0.000 0.829 222 Q CB -0.354 28.331 28.738 -0.089 0.000 0.900 222 Q HN 0.782 nan 8.270 nan 0.000 0.450 223 M N 2.212 121.785 119.600 -0.044 0.000 2.146 223 M HA -0.158 4.322 4.480 0.000 0.000 0.401 223 M C -2.225 174.056 176.300 -0.031 0.000 1.144 223 M CA 0.055 55.330 55.300 -0.042 0.000 0.764 223 M CB -0.702 31.869 32.600 -0.047 0.000 1.819 223 M HN -0.128 nan 8.290 nan 0.000 0.513 224 P HA 0.146 nan 4.420 nan 0.000 0.285 224 P C -0.398 176.894 177.300 -0.014 0.000 1.259 224 P CA -0.374 62.714 63.100 -0.019 0.000 0.794 224 P CB 0.835 32.524 31.700 -0.018 0.000 0.940 225 K N 3.721 124.118 120.400 -0.006 0.000 3.277 225 K HA 0.146 4.467 4.320 0.000 0.000 0.280 225 K C -0.261 176.345 176.600 0.008 0.000 1.182 225 K CA 0.321 56.609 56.287 0.002 0.000 1.219 225 K CB -0.924 31.580 32.500 0.006 0.000 1.373 225 K HN 0.354 nan 8.250 nan 0.000 0.392 226 K N -0.368 120.037 120.400 0.008 0.000 2.672 226 K HA -0.000 4.320 4.320 0.000 0.000 0.355 226 K C -1.673 174.932 176.600 0.008 0.000 1.397 226 K CA -0.122 56.172 56.287 0.013 0.000 1.169 226 K CB -0.055 32.449 32.500 0.007 0.000 1.405 226 K HN -0.101 nan 8.250 nan 0.000 0.447 227 V N 2.683 122.606 119.914 0.015 0.000 2.555 227 V HA 0.420 4.540 4.120 0.000 0.000 0.302 227 V C 1.246 177.351 176.094 0.019 0.000 1.038 227 V CA -0.500 61.807 62.300 0.013 0.000 0.887 227 V CB 1.371 33.198 31.823 0.007 0.000 0.991 227 V HN 0.900 nan 8.190 nan 0.000 0.434 228 T N 1.666 116.228 114.554 0.013 0.000 3.053 228 T HA 0.026 4.376 4.350 0.000 0.000 0.223 228 T C 0.178 174.890 174.700 0.020 0.000 1.015 228 T CA 0.530 62.639 62.100 0.015 0.000 1.655 228 T CB -0.163 68.711 68.868 0.009 0.000 1.279 228 T HN 0.622 nan 8.240 nan 0.000 0.431 229 D N 1.794 122.205 120.400 0.018 0.000 2.479 229 D HA 0.612 5.252 4.640 0.000 0.000 0.218 229 D C -0.817 175.496 176.300 0.023 0.000 1.131 229 D CA -0.006 54.007 54.000 0.021 0.000 0.916 229 D CB 0.437 41.248 40.800 0.018 0.000 1.022 229 D HN 0.649 nan 8.370 nan 0.000 0.515 230 A N 2.604 125.443 122.820 0.032 0.000 2.325 230 A HA 0.650 4.970 4.320 0.000 0.000 0.333 230 A C -0.377 177.232 177.584 0.041 0.000 1.155 230 A CA -0.866 51.191 52.037 0.033 0.000 0.814 230 A CB 0.905 19.931 19.000 0.043 0.000 1.206 230 A HN 0.215 nan 8.150 nan 0.000 0.482 231 K N 2.181 122.602 120.400 0.034 0.000 2.423 231 K HA 0.454 4.774 4.320 0.000 0.000 0.234 231 K C -0.831 175.799 176.600 0.049 0.000 1.051 231 K CA -0.358 55.953 56.287 0.039 0.000 1.021 231 K CB 0.121 32.636 32.500 0.025 0.000 1.474 231 K HN 0.545 nan 8.250 nan 0.000 0.474 232 I N 1.897 122.517 120.570 0.082 0.000 2.752 232 I HA 0.095 4.265 4.170 0.000 0.000 0.287 232 I C 0.731 176.915 176.117 0.111 0.000 1.188 232 I CA 0.324 61.703 61.300 0.132 0.000 1.427 232 I CB 0.383 38.519 38.000 0.226 0.000 1.365 232 I HN 0.586 nan 8.210 nan 0.000 0.585 233 A N 6.237 129.131 122.820 0.124 0.000 2.350 233 A HA 0.890 5.210 4.320 0.000 0.000 0.318 233 A C -1.239 176.435 177.584 0.150 0.000 1.132 233 A CA -0.530 51.564 52.037 0.096 0.000 0.811 233 A CB 1.062 20.093 19.000 0.052 0.000 1.313 233 A HN 0.451 nan 8.150 nan 0.000 0.454 234 L N 1.764 123.051 121.223 0.108 0.000 2.433 234 L HA 0.375 4.715 4.340 0.000 0.000 0.256 234 L C -0.554 176.359 176.870 0.071 0.000 1.063 234 L CA 0.144 55.045 54.840 0.102 0.000 0.922 234 L CB 0.767 42.870 42.059 0.073 0.000 1.238 234 L HN 0.655 nan 8.230 nan 0.000 0.466 235 L N 2.428 123.697 121.223 0.078 0.000 2.356 235 L HA 0.384 4.724 4.340 0.000 0.000 0.264 235 L C 0.905 177.804 176.870 0.049 0.000 1.029 235 L CA -0.129 54.742 54.840 0.052 0.000 0.897 235 L CB 1.098 43.184 42.059 0.044 0.000 1.256 235 L HN 0.535 nan 8.230 nan 0.000 0.444 236 N N 2.696 121.420 118.700 0.039 0.000 2.364 236 N HA -0.123 4.617 4.740 0.000 0.000 0.183 236 N C 0.701 176.227 175.510 0.027 0.000 1.022 236 N CA 0.605 53.674 53.050 0.032 0.000 0.883 236 N CB -0.172 38.328 38.487 0.023 0.000 0.965 236 N HN 0.674 nan 8.380 nan 0.000 0.438 237 C N 1.441 120.756 119.300 0.025 0.000 2.676 237 C HA 0.563 5.023 4.460 0.000 0.000 0.416 237 C C 0.786 175.788 174.990 0.021 0.000 1.299 237 C CA -0.587 58.443 59.018 0.020 0.000 2.048 237 C CB -1.505 26.245 27.740 0.016 0.000 2.713 237 C HN 0.662 nan 8.230 nan 0.000 0.624 238 A N 5.205 128.036 122.820 0.019 0.000 2.062 238 A HA -0.169 4.151 4.320 0.000 0.000 0.330 238 A C 0.514 178.109 177.584 0.019 0.000 0.781 238 A CA 1.104 53.152 52.037 0.018 0.000 1.457 238 A CB -0.448 18.561 19.000 0.015 0.000 0.630 238 A HN 1.309 nan 8.150 nan 0.000 0.241 239 I N 1.562 122.144 120.570 0.021 0.000 3.858 239 I HA 0.110 4.280 4.170 0.000 0.000 0.325 239 I C 0.984 177.116 176.117 0.025 0.000 1.403 239 I CA 0.029 61.343 61.300 0.022 0.000 1.169 239 I CB -0.227 37.788 38.000 0.024 0.000 1.077 239 I HN 0.749 nan 8.210 nan 0.000 0.403 240 E N 1.480 121.693 120.200 0.022 0.000 1.996 240 E HA 0.203 4.553 4.350 0.000 0.000 0.280 240 E C -0.830 175.782 176.600 0.019 0.000 1.092 240 E CA -0.383 56.029 56.400 0.021 0.000 0.862 240 E CB 0.577 30.288 29.700 0.019 0.000 1.066 240 E HN 0.222 nan 8.360 nan 0.000 0.396 241 E N 2.684 122.897 120.200 0.021 0.000 2.320 241 E HA 0.183 4.533 4.350 0.000 0.000 0.264 241 E C -0.452 176.160 176.600 0.020 0.000 0.923 241 E CA -0.992 55.419 56.400 0.019 0.000 0.796 241 E CB 1.613 31.323 29.700 0.018 0.000 1.262 241 E HN 0.663 nan 8.360 nan 0.000 0.428 242 T N -0.878 113.686 114.554 0.017 0.000 2.778 242 T HA 0.281 4.631 4.350 0.000 0.000 0.282 242 T C 0.692 175.405 174.700 0.022 0.000 0.983 242 T CA -0.220 61.891 62.100 0.018 0.000 1.193 242 T CB -0.144 68.733 68.868 0.014 0.000 0.938 242 T HN 0.587 nan 8.240 nan 0.000 0.523 243 A N 3.598 126.433 122.820 0.024 0.000 2.456 243 A HA 0.295 4.615 4.320 0.000 0.000 0.276 243 A C 0.975 178.581 177.584 0.038 0.000 0.981 243 A CA 0.886 52.941 52.037 0.029 0.000 1.123 243 A CB -1.360 17.657 19.000 0.027 0.000 0.773 243 A HN 2.363 nan 8.150 nan 0.000 0.373 244 S N 0.487 116.220 115.700 0.056 0.000 4.040 244 S HA -0.154 4.316 4.470 0.000 0.000 0.642 244 S C 0.903 175.540 174.600 0.063 0.000 1.461 244 S CA 1.389 59.627 58.200 0.064 0.000 1.622 244 S CB -1.475 61.755 63.200 0.049 0.000 0.325 244 S HN 2.109 nan 8.310 nan 0.000 1.782 245 E N -0.183 120.045 120.200 0.048 0.000 3.549 245 E HA -0.405 3.945 4.350 0.000 0.000 0.447 245 E C 1.715 178.319 176.600 0.007 0.000 1.471 245 E CA 2.578 58.989 56.400 0.018 0.000 1.397 245 E CB -0.821 28.886 29.700 0.011 0.000 1.307 245 E HN 0.651 nan 8.360 nan 0.000 0.346 246 M N -0.490 119.115 119.600 0.009 0.000 2.252 246 M HA -0.259 4.221 4.480 0.000 0.000 0.255 246 M C 2.220 178.527 176.300 0.012 0.000 1.085 246 M CA 1.496 56.800 55.300 0.007 0.000 1.059 246 M CB -0.121 32.484 32.600 0.009 0.000 1.375 246 M HN 0.360 nan 8.290 nan 0.000 0.409 247 L N -0.482 120.758 121.223 0.029 0.000 2.249 247 L HA -0.051 4.290 4.340 0.000 0.000 0.207 247 L C 2.041 178.938 176.870 0.045 0.000 1.090 247 L CA 1.642 56.510 54.840 0.047 0.000 0.802 247 L CB -0.522 41.581 42.059 0.074 0.000 0.947 247 L HN 0.124 nan 8.230 nan 0.000 0.453 248 K N -0.556 119.847 120.400 0.006 0.000 2.002 248 K HA -0.187 4.133 4.320 0.000 0.000 0.209 248 K C 1.409 177.920 176.600 -0.149 0.000 1.048 248 K CA 1.782 57.976 56.287 -0.155 0.000 0.930 248 K CB -0.050 32.250 32.500 -0.332 0.000 0.714 248 K HN 0.203 nan 8.250 nan 0.000 0.438 249 D N 0.113 120.459 120.400 -0.090 0.000 2.371 249 D HA -0.056 4.584 4.640 0.000 0.000 0.221 249 D C 1.574 177.845 176.300 -0.049 0.000 0.986 249 D CA 0.729 54.685 54.000 -0.073 0.000 0.899 249 D CB 0.131 40.904 40.800 -0.045 0.000 0.902 249 D HN 0.303 nan 8.370 nan 0.000 0.530 250 M N -0.976 118.603 119.600 -0.034 0.000 2.236 250 M HA -0.061 4.419 4.480 0.000 0.000 0.266 250 M C 2.014 178.305 176.300 -0.016 0.000 1.070 250 M CA 0.760 56.051 55.300 -0.015 0.000 1.137 250 M CB 0.022 32.622 32.600 -0.000 0.000 1.378 250 M HN -0.129 nan 8.290 nan 0.000 0.426 251 V N 0.463 120.360 119.914 -0.027 0.000 2.346 251 V HA -0.026 4.094 4.120 0.000 0.000 0.244 251 V C 2.643 178.705 176.094 -0.054 0.000 1.037 251 V CA 1.616 63.901 62.300 -0.026 0.000 1.029 251 V CB -1.483 30.353 31.823 0.022 0.000 0.663 251 V HN 0.493 nan 8.190 nan 0.000 0.454 252 A N -0.768 121.993 122.820 -0.099 0.000 2.234 252 A HA -0.187 4.133 4.320 0.000 0.000 0.216 252 A C 2.192 179.744 177.584 -0.053 0.000 1.167 252 A CA 1.542 53.524 52.037 -0.092 0.000 0.698 252 A CB -0.378 18.550 19.000 -0.119 0.000 0.779 252 A HN 0.528 nan 8.150 nan 0.000 0.475 253 E N -0.540 119.637 120.200 -0.039 0.000 2.307 253 E HA 0.053 4.403 4.350 0.000 0.000 0.195 253 E C 1.735 178.325 176.600 -0.016 0.000 0.975 253 E CA 0.258 56.643 56.400 -0.025 0.000 0.878 253 E CB 0.007 29.695 29.700 -0.019 0.000 0.845 253 E HN 0.734 nan 8.360 nan 0.000 0.488 254 I N 1.134 121.694 120.570 -0.016 0.000 2.142 254 I HA -0.253 3.917 4.170 0.000 0.000 0.240 254 I C 2.357 178.465 176.117 -0.014 0.000 1.078 254 I CA 1.231 62.524 61.300 -0.012 0.000 1.343 254 I CB -0.229 37.764 38.000 -0.011 0.000 1.046 254 I HN -0.086 nan 8.210 nan 0.000 0.405 255 K N 1.816 122.205 120.400 -0.018 0.000 2.525 255 K HA 0.066 4.386 4.320 0.000 0.000 0.192 255 K C 1.559 178.149 176.600 -0.017 0.000 1.029 255 K CA 1.080 57.356 56.287 -0.018 0.000 1.029 255 K CB 0.034 32.522 32.500 -0.021 0.000 0.814 255 K HN 0.301 nan 8.250 nan 0.000 0.503 256 A N -0.031 122.780 122.820 -0.016 0.000 1.881 256 A HA -0.001 4.319 4.320 0.000 0.000 0.210 256 A C 2.124 179.702 177.584 -0.009 0.000 1.239 256 A CA 0.963 52.991 52.037 -0.014 0.000 0.629 256 A CB -1.172 17.818 19.000 -0.017 0.000 0.906 256 A HN 0.441 nan 8.150 nan 0.000 0.460 257 S N -0.192 115.505 115.700 -0.006 0.000 2.490 257 S HA 0.086 4.556 4.470 0.000 0.000 0.243 257 S C 1.384 175.984 174.600 0.000 0.000 1.052 257 S CA 2.885 61.084 58.200 -0.001 0.000 1.254 257 S CB -0.815 62.386 63.200 0.002 0.000 1.191 257 S HN 1.967 nan 8.310 nan 0.000 0.422 258 G N -0.555 108.245 108.800 0.001 0.000 3.584 258 G HA2 0.376 4.336 3.960 0.000 0.000 0.223 258 G HA3 0.376 4.336 3.960 0.000 0.000 0.223 258 G C -0.107 174.795 174.900 0.003 0.000 0.932 258 G CA 0.098 45.199 45.100 0.001 0.000 1.111 258 G HN 1.109 nan 8.290 nan 0.000 0.689 259 A N 1.675 124.495 122.820 0.000 0.000 2.770 259 A HA 0.439 4.759 4.320 0.000 0.000 0.292 259 A C 1.828 179.403 177.584 -0.015 0.000 1.604 259 A CA 0.747 52.781 52.037 -0.005 0.000 1.271 259 A CB -0.345 18.650 19.000 -0.008 0.000 1.075 259 A HN 1.184 nan 8.150 nan 0.000 0.573 260 N N 2.199 120.892 118.700 -0.013 0.000 2.231 260 N HA -0.245 4.495 4.740 0.000 0.000 0.199 260 N C 0.012 175.494 175.510 -0.046 0.000 0.965 260 N CA 2.893 55.931 53.050 -0.021 0.000 0.919 260 N CB -0.424 38.053 38.487 -0.017 0.000 1.067 260 N HN 0.500 nan 8.380 nan 0.000 0.583 261 V N -0.179 119.700 119.914 -0.059 0.000 2.752 261 V HA 0.559 4.679 4.120 0.000 0.000 0.302 261 V C -1.012 174.988 176.094 -0.158 0.000 1.133 261 V CA -0.836 61.389 62.300 -0.124 0.000 0.919 261 V CB 1.870 33.662 31.823 -0.052 0.000 1.026 261 V HN 0.369 nan 8.190 nan 0.000 0.429 262 L N 5.065 126.078 121.223 -0.350 0.000 2.526 262 L HA 0.741 5.082 4.340 0.000 0.000 0.263 262 L C -2.143 174.510 176.870 -0.362 0.000 0.943 262 L CA -0.232 54.487 54.840 -0.201 0.000 0.859 262 L CB 2.111 44.114 42.059 -0.095 0.000 1.313 262 L HN 0.579 nan 8.230 nan 0.000 0.406 263 F N 3.935 123.889 119.950 0.008 0.000 2.539 263 F HA 0.463 4.990 4.527 0.000 0.000 0.328 263 F C -0.000 175.802 175.800 0.004 0.000 1.148 263 F CA -0.782 57.221 58.000 0.005 0.000 0.940 263 F CB 1.560 40.561 39.000 0.001 0.000 1.194 263 F HN 0.499 nan 8.300 nan 0.000 0.438 264 C N 1.648 121.041 119.300 0.155 0.000 2.303 264 C HA 0.477 4.937 4.460 0.000 0.000 0.326 264 C C 1.319 176.357 174.990 0.081 0.000 1.285 264 C CA -0.664 58.408 59.018 0.091 0.000 1.675 264 C CB 0.911 28.682 27.740 0.053 0.000 2.289 264 C HN 1.072 nan 8.230 nan 0.000 0.512 265 Q N 2.177 122.014 119.800 0.061 0.000 2.123 265 Q HA 0.001 4.341 4.340 0.000 0.000 0.199 265 Q C 0.658 176.678 176.000 0.033 0.000 0.966 265 Q CA 1.239 57.067 55.803 0.043 0.000 0.845 265 Q CB 0.247 29.003 28.738 0.030 0.000 0.907 265 Q HN 0.763 nan 8.270 nan 0.000 0.439 266 K N -0.619 119.800 120.400 0.031 0.000 2.166 266 K HA 0.437 4.757 4.320 0.000 0.000 0.245 266 K C 0.148 176.766 176.600 0.030 0.000 0.967 266 K CA -0.010 56.293 56.287 0.027 0.000 0.863 266 K CB 1.610 34.123 32.500 0.022 0.000 1.107 266 K HN 0.180 nan 8.250 nan 0.000 0.436 267 G N 0.678 109.495 108.800 0.027 0.000 2.727 267 G HA2 0.540 4.500 3.960 0.000 0.000 0.212 267 G HA3 0.540 4.500 3.960 0.000 0.000 0.212 267 G C -0.307 174.608 174.900 0.025 0.000 2.076 267 G CA -0.374 44.742 45.100 0.028 0.000 0.744 267 G HN 0.531 nan 8.290 nan 0.000 0.775 268 I N 0.305 120.889 120.570 0.024 0.000 2.758 268 I HA 0.210 4.380 4.170 0.000 0.000 0.283 268 I C -2.482 173.651 176.117 0.026 0.000 1.566 268 I CA -0.761 60.555 61.300 0.026 0.000 1.084 268 I CB 1.823 39.837 38.000 0.024 0.000 1.469 268 I HN 0.260 nan 8.210 nan 0.000 0.422 269 D N 6.016 126.435 120.400 0.032 0.000 2.225 269 D HA 0.377 5.017 4.640 0.000 0.000 0.248 269 D C 0.277 176.596 176.300 0.031 0.000 1.096 269 D CA 1.004 55.020 54.000 0.028 0.000 0.863 269 D CB 1.085 41.904 40.800 0.032 0.000 1.156 269 D HN 0.686 nan 8.370 nan 0.000 0.450 270 D N 1.494 121.905 120.400 0.018 0.000 3.996 270 D HA -0.364 4.276 4.640 0.000 0.000 0.140 270 D C 1.492 177.792 176.300 -0.000 0.000 0.829 270 D CA 0.684 54.687 54.000 0.006 0.000 1.111 270 D CB -1.102 39.693 40.800 -0.008 0.000 0.516 270 D HN 0.437 nan 8.370 nan 0.000 0.517 271 L N 1.494 122.705 121.223 -0.019 0.000 2.186 271 L HA -0.281 4.059 4.340 0.000 0.000 0.221 271 L C 2.622 179.515 176.870 0.038 0.000 1.087 271 L CA 3.835 58.656 54.840 -0.032 0.000 0.794 271 L CB -0.643 41.393 42.059 -0.038 0.000 0.893 271 L HN 0.554 nan 8.230 nan 0.000 0.442 272 A N -1.595 121.293 122.820 0.114 0.000 1.855 272 A HA -0.205 4.115 4.320 0.000 0.000 0.213 272 A C 1.958 179.614 177.584 0.121 0.000 1.195 272 A CA 1.254 53.389 52.037 0.164 0.000 0.610 272 A CB -0.520 18.557 19.000 0.129 0.000 0.837 272 A HN 0.629 nan 8.150 nan 0.000 0.444 273 Q N -0.624 119.216 119.800 0.067 0.000 2.045 273 Q HA -0.313 4.027 4.340 0.000 0.000 0.215 273 Q C 1.996 178.016 176.000 0.033 0.000 1.026 273 Q CA 2.029 57.857 55.803 0.042 0.000 0.885 273 Q CB -0.689 28.067 28.738 0.030 0.000 0.984 273 Q HN 0.839 nan 8.270 nan 0.000 0.414 274 H N -0.940 118.081 119.070 -0.081 0.000 2.563 274 H HA -0.067 4.490 4.556 0.000 0.000 0.272 274 H C 0.633 175.834 175.328 -0.211 0.000 1.005 274 H CA 0.678 56.639 56.048 -0.146 0.000 1.171 274 H CB 0.307 29.931 29.762 -0.230 0.000 1.351 274 H HN 0.337 nan 8.280 nan 0.000 0.602 275 Y N 0.347 120.633 120.300 -0.022 0.000 2.314 275 Y HA -0.089 4.461 4.550 0.000 0.000 0.294 275 Y C 2.772 178.623 175.900 -0.081 0.000 1.139 275 Y CA 0.620 58.690 58.100 -0.050 0.000 1.162 275 Y CB -0.614 37.848 38.460 0.003 0.000 1.121 275 Y HN 0.073 nan 8.280 nan 0.000 0.529 276 L N -0.561 120.720 121.223 0.097 0.000 2.040 276 L HA -0.314 4.026 4.340 0.000 0.000 0.228 276 L C 2.254 179.110 176.870 -0.024 0.000 1.092 276 L CA 2.397 57.250 54.840 0.022 0.000 0.805 276 L CB -1.542 40.521 42.059 0.007 0.000 0.905 276 L HN 0.136 nan 8.230 nan 0.000 0.443 277 A N -0.097 122.684 122.820 -0.065 0.000 2.066 277 A HA -0.140 4.180 4.320 0.000 0.000 0.218 277 A C 2.320 179.819 177.584 -0.141 0.000 1.157 277 A CA 1.623 53.599 52.037 -0.101 0.000 0.670 277 A CB -0.447 18.493 19.000 -0.100 0.000 0.804 277 A HN 0.565 nan 8.150 nan 0.000 0.453 278 K N -0.269 120.027 120.400 -0.173 0.000 2.155 278 K HA -0.050 4.270 4.320 0.000 0.000 0.203 278 K C 1.762 178.334 176.600 -0.047 0.000 1.052 278 K CA 1.470 57.677 56.287 -0.134 0.000 0.948 278 K CB -0.030 32.380 32.500 -0.150 0.000 0.728 278 K HN 0.582 nan 8.250 nan 0.000 0.448 279 E N -2.126 118.059 120.200 -0.025 0.000 2.127 279 E HA 0.106 4.456 4.350 0.000 0.000 0.191 279 E C 0.852 177.439 176.600 -0.021 0.000 0.964 279 E CA 0.776 57.167 56.400 -0.015 0.000 0.832 279 E CB 0.664 30.360 29.700 -0.008 0.000 0.790 279 E HN 0.444 nan 8.360 nan 0.000 0.465 280 G N 0.479 109.261 108.800 -0.029 0.000 2.367 280 G HA2 -0.165 3.795 3.960 0.000 0.000 0.181 280 G HA3 -0.165 3.795 3.960 0.000 0.000 0.181 280 G C 0.183 175.063 174.900 -0.033 0.000 1.000 280 G CA -0.385 44.697 45.100 -0.029 0.000 0.693 280 G HN 0.098 nan 8.290 nan 0.000 0.480 281 I N 3.573 124.123 120.570 -0.035 0.000 2.574 281 I HA 0.232 4.402 4.170 0.000 0.000 0.291 281 I C 1.592 177.671 176.117 -0.064 0.000 1.131 281 I CA -0.307 60.966 61.300 -0.045 0.000 1.352 281 I CB 0.266 38.244 38.000 -0.037 0.000 1.431 281 I HN 0.201 nan 8.210 nan 0.000 0.543 282 V N 4.045 123.908 119.914 -0.085 0.000 3.237 282 V HA 0.723 4.843 4.120 0.000 0.000 0.305 282 V C 0.427 176.423 176.094 -0.163 0.000 1.096 282 V CA -0.469 61.761 62.300 -0.116 0.000 1.130 282 V CB 1.060 32.804 31.823 -0.132 0.000 1.048 282 V HN 0.826 nan 8.190 nan 0.000 0.484 283 A N 1.990 124.705 122.820 -0.175 0.000 2.606 283 A HA 0.990 5.310 4.320 0.000 0.000 0.293 283 A C -0.491 176.981 177.584 -0.188 0.000 1.082 283 A CA -0.412 51.510 52.037 -0.191 0.000 0.685 283 A CB 1.591 20.537 19.000 -0.090 0.000 1.284 283 A HN 2.467 nan 8.150 nan 0.000 0.408 284 A N 0.723 123.447 122.820 -0.160 0.000 2.427 284 A HA 0.806 5.126 4.320 0.000 0.000 0.298 284 A C -0.432 177.178 177.584 0.043 0.000 1.036 284 A CA -0.429 51.594 52.037 -0.023 0.000 0.701 284 A CB 1.122 20.193 19.000 0.119 0.000 1.250 284 A HN 1.652 nan 8.150 nan 0.000 0.412 285 R N 1.275 121.801 120.500 0.044 0.000 2.732 285 R HA 0.733 5.073 4.340 0.000 0.000 0.278 285 R C -0.275 176.054 176.300 0.047 0.000 0.976 285 R CA -0.598 55.526 56.100 0.040 0.000 0.963 285 R CB 0.634 30.949 30.300 0.024 0.000 1.150 285 R HN 0.510 nan 8.270 nan 0.000 0.478 286 R N 0.894 121.418 120.500 0.041 0.000 2.916 286 R HA -0.117 4.223 4.340 0.000 0.000 0.232 286 R C -0.949 175.374 176.300 0.038 0.000 0.833 286 R CA 0.860 56.980 56.100 0.035 0.000 0.566 286 R CB -1.792 28.523 30.300 0.025 0.000 1.058 286 R HN 0.425 nan 8.270 nan 0.000 0.498 287 V N 1.500 121.447 119.914 0.055 0.000 2.461 287 V HA 0.118 4.238 4.120 0.000 0.000 0.275 287 V C 1.158 177.267 176.094 0.026 0.000 1.047 287 V CA -0.478 61.855 62.300 0.055 0.000 0.955 287 V CB 1.495 33.386 31.823 0.113 0.000 0.988 287 V HN 0.322 nan 8.190 nan 0.000 0.471 288 K N 2.892 123.295 120.400 0.004 0.000 2.188 288 K HA 0.103 4.423 4.320 0.000 0.000 0.246 288 K C 1.340 177.934 176.600 -0.010 0.000 1.026 288 K CA -0.112 56.172 56.287 -0.004 0.000 0.871 288 K CB 0.348 32.842 32.500 -0.010 0.000 1.042 288 K HN 0.491 nan 8.250 nan 0.000 0.509 289 K N 0.338 120.732 120.400 -0.010 0.000 2.160 289 K HA -0.202 4.118 4.320 0.000 0.000 0.206 289 K C 2.116 178.699 176.600 -0.028 0.000 1.047 289 K CA 1.453 57.731 56.287 -0.014 0.000 0.930 289 K CB -0.057 32.437 32.500 -0.009 0.000 0.720 289 K HN 0.462 nan 8.250 nan 0.000 0.450 290 S N 1.139 116.820 115.700 -0.033 0.000 2.338 290 S HA -0.122 4.348 4.470 0.000 0.000 0.218 290 S C 0.962 175.523 174.600 -0.065 0.000 1.032 290 S CA 1.612 59.786 58.200 -0.044 0.000 0.999 290 S CB -0.123 63.053 63.200 -0.039 0.000 0.905 290 S HN 0.315 nan 8.310 nan 0.000 0.439 291 D N 0.474 120.829 120.400 -0.077 0.000 2.363 291 D HA 0.045 4.686 4.640 0.000 0.000 0.226 291 D C 1.411 177.624 176.300 -0.145 0.000 1.020 291 D CA 0.189 54.114 54.000 -0.124 0.000 0.892 291 D CB -0.185 40.534 40.800 -0.135 0.000 0.900 291 D HN 0.271 nan 8.370 nan 0.000 0.531 292 M N 1.199 120.747 119.600 -0.087 0.000 2.085 292 M HA -0.118 4.362 4.480 0.000 0.000 0.258 292 M C 1.771 178.028 176.300 -0.071 0.000 1.089 292 M CA 1.448 56.707 55.300 -0.068 0.000 1.123 292 M CB -0.711 31.873 32.600 -0.027 0.000 1.284 292 M HN -0.047 nan 8.290 nan 0.000 0.421 293 E N 0.320 120.488 120.200 -0.053 0.000 2.239 293 E HA -0.327 4.023 4.350 0.000 0.000 0.240 293 E C 1.588 178.147 176.600 -0.069 0.000 1.079 293 E CA 2.681 59.050 56.400 -0.051 0.000 0.991 293 E CB -1.130 28.549 29.700 -0.035 0.000 0.863 293 E HN 0.575 nan 8.360 nan 0.000 0.491 294 K N 0.017 120.365 120.400 -0.087 0.000 2.439 294 K HA 0.082 4.402 4.320 0.000 0.000 0.197 294 K C 2.084 178.607 176.600 -0.128 0.000 1.041 294 K CA 0.770 56.996 56.287 -0.102 0.000 0.970 294 K CB -0.038 32.404 32.500 -0.097 0.000 0.773 294 K HN 0.112 nan 8.250 nan 0.000 0.479 295 L N 0.505 121.629 121.223 -0.165 0.000 2.068 295 L HA -0.062 4.278 4.340 0.000 0.000 0.204 295 L C 2.455 179.259 176.870 -0.109 0.000 1.076 295 L CA 0.925 55.639 54.840 -0.209 0.000 0.753 295 L CB -0.485 41.349 42.059 -0.375 0.000 0.910 295 L HN 0.153 nan 8.230 nan 0.000 0.439 296 A N 0.145 122.923 122.820 -0.071 0.000 1.957 296 A HA -0.384 3.936 4.320 0.000 0.000 0.224 296 A C 2.268 179.833 177.584 -0.032 0.000 1.287 296 A CA 2.768 54.784 52.037 -0.034 0.000 0.682 296 A CB -0.521 18.468 19.000 -0.018 0.000 0.833 296 A HN 0.414 nan 8.150 nan 0.000 0.482 297 K N -1.803 118.559 120.400 -0.063 0.000 2.214 297 K HA 0.399 4.719 4.320 0.000 0.000 0.201 297 K C 2.136 178.678 176.600 -0.098 0.000 1.049 297 K CA 0.617 56.850 56.287 -0.090 0.000 0.978 297 K CB -0.294 32.139 32.500 -0.112 0.000 0.842 297 K HN 0.453 nan 8.250 nan 0.000 0.474 298 A N 1.482 124.254 122.820 -0.080 0.000 2.467 298 A HA -0.412 3.908 4.320 0.000 0.000 0.251 298 A C 2.234 179.804 177.584 -0.023 0.000 2.121 298 A CA 3.728 55.728 52.037 -0.061 0.000 1.025 298 A CB -2.062 16.898 19.000 -0.067 0.000 0.632 298 A HN 0.532 nan 8.150 nan 0.000 0.490 299 T N -3.604 110.945 114.554 -0.008 0.000 2.708 299 T HA 0.305 4.655 4.350 0.000 0.000 0.266 299 T C 1.779 176.505 174.700 0.043 0.000 1.037 299 T CA 2.149 64.266 62.100 0.028 0.000 1.146 299 T CB -0.513 68.386 68.868 0.051 0.000 0.865 299 T HN 2.427 nan 8.240 nan 0.000 0.435 300 G N 0.744 109.567 108.800 0.039 0.000 2.234 300 G HA2 0.245 4.205 3.960 0.000 0.000 0.153 300 G HA3 0.245 4.205 3.960 0.000 0.000 0.153 300 G C 0.154 175.098 174.900 0.074 0.000 1.013 300 G CA -0.067 45.083 45.100 0.083 0.000 0.712 300 G HN 0.984 nan 8.290 nan 0.000 0.491 301 A N -0.019 122.827 122.820 0.045 0.000 2.332 301 A HA 0.664 4.984 4.320 0.000 0.000 0.258 301 A C 0.300 177.904 177.584 0.034 0.000 1.087 301 A CA 0.115 52.176 52.037 0.040 0.000 0.802 301 A CB 0.202 19.224 19.000 0.037 0.000 1.042 301 A HN 0.516 nan 8.150 nan 0.000 0.489 302 N N 0.118 118.837 118.700 0.032 0.000 2.422 302 N HA 0.369 5.109 4.740 0.000 0.000 0.266 302 N C -0.460 175.063 175.510 0.022 0.000 1.007 302 N CA -0.575 52.490 53.050 0.026 0.000 0.941 302 N CB 1.952 40.454 38.487 0.025 0.000 1.115 302 N HN 0.555 nan 8.380 nan 0.000 0.492 303 V N 4.098 124.021 119.914 0.016 0.000 2.529 303 V HA 0.256 4.377 4.120 0.000 0.000 0.292 303 V C -0.045 176.059 176.094 0.017 0.000 1.028 303 V CA -0.097 62.212 62.300 0.015 0.000 1.074 303 V CB -0.737 31.090 31.823 0.006 0.000 0.958 303 V HN 0.551 nan 8.190 nan 0.000 0.481 304 I N 3.666 124.248 120.570 0.021 0.000 3.023 304 I HA 0.604 4.774 4.170 0.000 0.000 0.312 304 I C 1.211 177.338 176.117 0.018 0.000 1.056 304 I CA -0.389 60.922 61.300 0.019 0.000 1.033 304 I CB 1.074 39.086 38.000 0.020 0.000 1.233 304 I HN 0.469 nan 8.210 nan 0.000 0.462 305 T N 0.620 115.183 114.554 0.015 0.000 2.569 305 T HA -0.102 4.248 4.350 0.000 0.000 0.263 305 T C 0.883 175.592 174.700 0.015 0.000 1.074 305 T CA 1.881 63.989 62.100 0.013 0.000 1.176 305 T CB -0.397 68.477 68.868 0.011 0.000 0.863 305 T HN 0.746 nan 8.240 nan 0.000 0.410 306 N N -0.970 117.739 118.700 0.016 0.000 3.100 306 N HA 0.273 5.013 4.740 0.000 0.000 0.344 306 N C 0.718 176.239 175.510 0.019 0.000 1.413 306 N CA -0.602 52.457 53.050 0.016 0.000 0.752 306 N CB 0.942 39.437 38.487 0.012 0.000 1.519 306 N HN 0.041 nan 8.380 nan 0.000 0.620 307 I N 1.562 122.143 120.570 0.018 0.000 2.233 307 I HA -0.050 4.120 4.170 0.000 0.000 0.243 307 I C 2.081 178.205 176.117 0.012 0.000 1.093 307 I CA 1.651 62.961 61.300 0.017 0.000 1.380 307 I CB -0.565 37.444 38.000 0.016 0.000 1.067 307 I HN 0.738 nan 8.210 nan 0.000 0.413 308 K N -0.410 119.995 120.400 0.009 0.000 2.360 308 K HA -0.191 4.129 4.320 0.000 0.000 0.201 308 K C 1.409 178.011 176.600 0.005 0.000 1.046 308 K CA 1.750 58.040 56.287 0.005 0.000 0.940 308 K CB -0.520 31.982 32.500 0.003 0.000 0.748 308 K HN 0.416 nan 8.250 nan 0.000 0.465 309 D N 0.804 121.209 120.400 0.008 0.000 2.197 309 D HA -0.031 4.609 4.640 0.000 0.000 0.212 309 D C 0.328 176.635 176.300 0.012 0.000 0.963 309 D CA 0.130 54.135 54.000 0.009 0.000 0.864 309 D CB 0.028 40.834 40.800 0.011 0.000 1.009 309 D HN 0.084 nan 8.370 nan 0.000 0.479 310 L N 1.792 123.024 121.223 0.015 0.000 2.771 310 L HA -0.077 4.263 4.340 0.000 0.000 0.278 310 L C -0.494 176.384 176.870 0.013 0.000 1.175 310 L CA 0.778 55.630 54.840 0.018 0.000 0.973 310 L CB -0.472 41.599 42.059 0.019 0.000 1.286 310 L HN -0.201 nan 8.230 nan 0.000 0.481 311 S N 2.432 118.141 115.700 0.015 0.000 2.552 311 S HA 0.578 5.048 4.470 0.000 0.000 0.272 311 S C 0.775 175.383 174.600 0.014 0.000 1.150 311 S CA -0.280 57.927 58.200 0.011 0.000 0.849 311 S CB 1.560 64.765 63.200 0.009 0.000 1.113 311 S HN 0.737 nan 8.310 nan 0.000 0.458 312 A N 1.206 124.033 122.820 0.011 0.000 1.986 312 A HA -0.215 4.105 4.320 0.000 0.000 0.220 312 A C 1.789 179.382 177.584 0.016 0.000 1.171 312 A CA 2.105 54.150 52.037 0.013 0.000 0.640 312 A CB -0.543 18.463 19.000 0.009 0.000 0.811 312 A HN 0.692 nan 8.150 nan 0.000 0.451 313 Q N 0.094 119.902 119.800 0.014 0.000 2.134 313 Q HA 0.009 4.349 4.340 0.000 0.000 0.195 313 Q C 0.875 176.886 176.000 0.018 0.000 0.958 313 Q CA 1.109 56.920 55.803 0.014 0.000 0.840 313 Q CB -1.000 27.745 28.738 0.012 0.000 0.918 313 Q HN 0.524 nan 8.270 nan 0.000 0.467 314 D N 0.963 121.374 120.400 0.019 0.000 2.434 314 D HA -0.043 4.597 4.640 0.000 0.000 0.228 314 D C -0.163 176.156 176.300 0.032 0.000 0.995 314 D CA 0.581 54.595 54.000 0.024 0.000 0.976 314 D CB -0.328 40.486 40.800 0.022 0.000 0.867 314 D HN 0.294 nan 8.370 nan 0.000 0.519 315 L N -1.296 119.946 121.223 0.032 0.000 2.334 315 L HA 0.667 5.007 4.340 0.000 0.000 0.272 315 L C 1.080 177.975 176.870 0.042 0.000 1.020 315 L CA -0.994 53.869 54.840 0.038 0.000 0.812 315 L CB 1.841 43.926 42.059 0.045 0.000 1.264 315 L HN -0.246 nan 8.230 nan 0.000 0.439 316 G N -0.733 108.098 108.800 0.051 0.000 2.938 316 G HA2 0.569 4.529 3.960 0.000 0.000 0.258 316 G HA3 0.569 4.529 3.960 0.000 0.000 0.258 316 G C -1.705 173.226 174.900 0.052 0.000 1.356 316 G CA -0.164 44.970 45.100 0.056 0.000 1.052 316 G HN 0.581 nan 8.290 nan 0.000 0.550 317 D N -1.060 119.372 120.400 0.054 0.000 2.318 317 D HA 0.541 5.181 4.640 0.000 0.000 0.233 317 D C -0.566 175.766 176.300 0.053 0.000 1.348 317 D CA -0.048 53.982 54.000 0.049 0.000 0.983 317 D CB 0.996 41.821 40.800 0.041 0.000 1.416 317 D HN 0.573 nan 8.370 nan 0.000 0.558 318 A N 1.323 124.178 122.820 0.058 0.000 2.356 318 A HA 0.673 4.993 4.320 0.000 0.000 0.310 318 A C 1.232 178.849 177.584 0.055 0.000 1.075 318 A CA -0.275 51.799 52.037 0.062 0.000 0.746 318 A CB 1.626 20.676 19.000 0.083 0.000 1.221 318 A HN 0.468 nan 8.150 nan 0.000 0.443 319 G N 0.472 109.302 108.800 0.049 0.000 2.464 319 G HA2 0.326 4.286 3.960 0.000 0.000 0.217 319 G HA3 0.326 4.286 3.960 0.000 0.000 0.217 319 G C 0.046 174.968 174.900 0.038 0.000 1.138 319 G CA 0.855 45.978 45.100 0.038 0.000 0.793 319 G HN 0.546 nan 8.290 nan 0.000 0.539 320 L N 0.452 121.706 121.223 0.051 0.000 2.541 320 L HA 0.498 4.838 4.340 0.000 0.000 0.266 320 L C -1.167 175.757 176.870 0.090 0.000 0.966 320 L CA -0.427 54.446 54.840 0.055 0.000 0.871 320 L CB 2.607 44.690 42.059 0.041 0.000 1.232 320 L HN -0.144 nan 8.230 nan 0.000 0.408 321 V N 3.338 123.308 119.914 0.093 0.000 2.443 321 V HA 0.458 4.578 4.120 0.000 0.000 0.272 321 V C -0.321 175.834 176.094 0.100 0.000 1.002 321 V CA -0.592 61.785 62.300 0.128 0.000 0.840 321 V CB 1.474 33.374 31.823 0.127 0.000 1.042 321 V HN 0.707 nan 8.190 nan 0.000 0.446 322 E N 2.366 122.636 120.200 0.118 0.000 2.207 322 E HA 0.470 4.821 4.350 0.000 0.000 0.270 322 E C -0.634 176.063 176.600 0.162 0.000 0.927 322 E CA -0.673 55.783 56.400 0.092 0.000 0.799 322 E CB 1.782 31.502 29.700 0.033 0.000 1.172 322 E HN 0.592 nan 8.360 nan 0.000 0.404 323 E N 3.259 123.533 120.200 0.122 0.000 2.046 323 E HA 0.213 4.564 4.350 0.000 0.000 0.279 323 E C -0.947 175.726 176.600 0.122 0.000 0.989 323 E CA -0.330 56.153 56.400 0.139 0.000 0.798 323 E CB 0.793 30.541 29.700 0.080 0.000 1.086 323 E HN 0.328 nan 8.360 nan 0.000 0.399 324 R N 3.466 124.078 120.500 0.186 0.000 2.337 324 R HA 0.233 4.573 4.340 0.000 0.000 0.319 324 R C -0.371 176.027 176.300 0.164 0.000 0.954 324 R CA -0.539 55.642 56.100 0.135 0.000 0.840 324 R CB 1.460 31.798 30.300 0.064 0.000 1.164 324 R HN 0.170 nan 8.270 nan 0.000 0.472 325 K N 3.328 123.783 120.400 0.092 0.000 2.379 325 K HA 0.211 4.531 4.320 0.000 0.000 0.284 325 K C -0.397 176.253 176.600 0.082 0.000 1.044 325 K CA 0.143 56.478 56.287 0.081 0.000 0.974 325 K CB 0.743 33.272 32.500 0.049 0.000 0.962 325 K HN 0.479 nan 8.250 nan 0.000 0.474 326 I N 2.884 123.514 120.570 0.099 0.000 2.418 326 I HA 0.034 4.204 4.170 0.000 0.000 0.287 326 I C 0.450 176.606 176.117 0.064 0.000 1.008 326 I CA 0.238 61.595 61.300 0.095 0.000 1.104 326 I CB 1.314 39.408 38.000 0.156 0.000 1.264 326 I HN 0.946 nan 8.210 nan 0.000 0.438 327 S N 4.245 119.974 115.700 0.048 0.000 2.981 327 S HA -0.188 4.282 4.470 0.000 0.000 0.274 327 S C 0.835 175.454 174.600 0.031 0.000 1.297 327 S CA 1.776 59.998 58.200 0.037 0.000 1.266 327 S CB -1.779 61.443 63.200 0.037 0.000 1.542 327 S HN 2.062 nan 8.310 nan 0.000 0.674 328 G N 0.574 109.394 108.800 0.034 0.000 3.876 328 G HA2 0.033 3.993 3.960 0.000 0.000 0.203 328 G HA3 0.033 3.993 3.960 0.000 0.000 0.203 328 G C -0.620 174.299 174.900 0.032 0.000 1.162 328 G CA 0.115 45.233 45.100 0.029 0.000 0.903 328 G HN 0.674 nan 8.290 nan 0.000 0.390 329 D N 1.951 122.373 120.400 0.036 0.000 2.225 329 D HA 0.528 5.168 4.640 0.000 0.000 0.248 329 D C -0.330 175.999 176.300 0.049 0.000 1.096 329 D CA 0.219 54.240 54.000 0.036 0.000 0.863 329 D CB 1.674 42.490 40.800 0.027 0.000 1.156 329 D HN 0.148 nan 8.370 nan 0.000 0.450 330 S N 2.301 118.029 115.700 0.048 0.000 2.475 330 S HA 0.453 4.923 4.470 0.000 0.000 0.281 330 S C 0.219 174.854 174.600 0.060 0.000 1.198 330 S CA -0.557 57.681 58.200 0.063 0.000 1.063 330 S CB 1.059 64.294 63.200 0.057 0.000 0.972 330 S HN 0.318 nan 8.310 nan 0.000 0.486 331 M N 2.679 122.332 119.600 0.088 0.000 2.572 331 M HA 0.520 5.000 4.480 0.000 0.000 0.299 331 M C -0.997 175.357 176.300 0.091 0.000 1.205 331 M CA -0.519 54.802 55.300 0.034 0.000 0.876 331 M CB 1.911 34.468 32.600 -0.072 0.000 1.728 331 M HN 0.432 nan 8.290 nan 0.000 0.458 332 I N 2.199 122.800 120.570 0.051 0.000 2.312 332 I HA 0.269 4.439 4.170 0.000 0.000 0.291 332 I C -0.857 175.285 176.117 0.043 0.000 1.031 332 I CA -0.251 61.130 61.300 0.136 0.000 1.293 332 I CB 0.425 38.571 38.000 0.244 0.000 1.403 332 I HN 0.465 nan 8.210 nan 0.000 0.484 333 F N 5.778 125.775 119.950 0.079 0.000 2.382 333 F HA 0.324 4.852 4.527 0.000 0.000 0.331 333 F C 0.547 176.395 175.800 0.081 0.000 1.121 333 F CA -0.127 57.907 58.000 0.057 0.000 1.183 333 F CB 1.130 40.154 39.000 0.040 0.000 1.207 333 F HN 0.040 nan 8.300 nan 0.000 0.555 334 V N 2.374 122.400 119.914 0.188 0.000 2.811 334 V HA 0.138 4.258 4.120 0.000 0.000 0.266 334 V C -0.283 175.869 176.094 0.097 0.000 0.872 334 V CA -0.737 61.642 62.300 0.131 0.000 0.992 334 V CB 0.035 31.896 31.823 0.064 0.000 1.016 334 V HN 0.807 nan 8.190 nan 0.000 0.496 335 E N 1.802 122.078 120.200 0.126 0.000 2.961 335 E HA 0.514 4.864 4.350 0.000 0.000 0.254 335 E C 0.272 176.909 176.600 0.062 0.000 1.192 335 E CA 0.081 56.535 56.400 0.090 0.000 1.069 335 E CB 0.704 30.468 29.700 0.107 0.000 1.338 335 E HN 0.307 nan 8.360 nan 0.000 0.596 336 E N -2.273 117.956 120.200 0.048 0.000 3.870 336 E HA -0.271 4.079 4.350 0.000 0.000 0.329 336 E C -0.220 176.403 176.600 0.039 0.000 0.702 336 E CA 0.734 57.157 56.400 0.039 0.000 1.174 336 E CB -2.977 26.741 29.700 0.030 0.000 1.619 336 E HN 0.610 nan 8.360 nan 0.000 0.441 337 C N 2.801 122.125 119.300 0.040 0.000 0.676 337 C HA -0.134 4.327 4.460 0.000 0.000 0.540 337 C C 2.012 177.028 174.990 0.044 0.000 1.215 337 C CA 1.101 60.141 59.018 0.037 0.000 2.005 337 C CB -0.747 27.006 27.740 0.021 0.000 3.532 337 C HN 0.456 nan 8.230 nan 0.000 0.561 338 K N 3.297 123.734 120.400 0.061 0.000 2.021 338 K HA -0.085 4.235 4.320 0.000 0.000 0.205 338 K C 1.111 177.778 176.600 0.111 0.000 1.047 338 K CA 1.516 57.846 56.287 0.071 0.000 0.943 338 K CB -0.100 32.442 32.500 0.071 0.000 0.725 338 K HN 0.952 nan 8.250 nan 0.000 0.439 339 H N 2.019 121.093 119.070 0.006 0.000 2.471 339 H HA 0.305 4.861 4.556 0.000 0.000 0.234 339 H C -2.445 172.883 175.328 0.000 0.000 1.388 339 H CA -1.832 54.218 56.048 0.003 0.000 1.198 339 H CB 0.915 30.678 29.762 0.003 0.000 1.714 339 H HN 0.103 nan 8.280 nan 0.000 0.536 340 P HA 0.063 nan 4.420 nan 0.000 0.275 340 P C 0.266 177.432 177.300 -0.224 0.000 1.276 340 P CA -0.442 62.571 63.100 -0.145 0.000 0.782 340 P CB 0.801 32.468 31.700 -0.055 0.000 0.851 341 K N 2.521 122.723 120.400 -0.331 0.000 2.476 341 K HA 0.446 4.766 4.320 0.000 0.000 0.196 341 K C 0.189 176.713 176.600 -0.127 0.000 1.025 341 K CA -0.371 55.765 56.287 -0.251 0.000 1.138 341 K CB -0.044 32.286 32.500 -0.284 0.000 0.860 341 K HN 0.494 nan 8.250 nan 0.000 0.515 342 A N -0.219 122.538 122.820 -0.104 0.000 2.290 342 A HA 0.360 4.680 4.320 0.000 0.000 0.274 342 A C -1.734 175.804 177.584 -0.077 0.000 0.892 342 A CA -0.474 51.512 52.037 -0.084 0.000 0.688 342 A CB 0.443 19.390 19.000 -0.088 0.000 0.951 342 A HN 0.159 nan 8.150 nan 0.000 0.344 343 V N 2.292 122.170 119.914 -0.060 0.000 2.950 343 V HA 0.725 4.845 4.120 0.000 0.000 0.295 343 V C -0.078 175.990 176.094 -0.044 0.000 1.297 343 V CA 0.360 62.632 62.300 -0.047 0.000 0.962 343 V CB 2.221 34.023 31.823 -0.036 0.000 1.081 343 V HN 1.538 nan 8.190 nan 0.000 0.432 344 T N 7.217 121.744 114.554 -0.044 0.000 2.882 344 T HA 0.535 4.885 4.350 0.000 0.000 0.287 344 T C -0.241 174.444 174.700 -0.025 0.000 1.014 344 T CA -0.302 61.770 62.100 -0.047 0.000 1.049 344 T CB 0.915 69.745 68.868 -0.064 0.000 1.001 344 T HN 0.658 nan 8.240 nan 0.000 0.525 345 M N 3.064 122.649 119.600 -0.026 0.000 2.098 345 M HA 0.358 4.838 4.480 0.000 0.000 0.265 345 M C -1.407 174.889 176.300 -0.006 0.000 0.940 345 M CA -0.493 54.801 55.300 -0.009 0.000 1.007 345 M CB 1.134 33.727 32.600 -0.012 0.000 1.823 345 M HN 0.511 nan 8.290 nan 0.000 0.453 346 L N 6.031 127.261 121.223 0.012 0.000 2.380 346 L HA 0.519 4.859 4.340 0.000 0.000 0.273 346 L C -1.246 175.641 176.870 0.028 0.000 1.138 346 L CA 0.014 54.869 54.840 0.025 0.000 0.832 346 L CB 0.498 42.606 42.059 0.081 0.000 1.124 346 L HN 0.661 nan 8.230 nan 0.000 0.454 347 I N 5.156 125.740 120.570 0.022 0.000 2.563 347 I HA 0.371 4.541 4.170 0.000 0.000 0.285 347 I C -0.876 175.253 176.117 0.020 0.000 1.123 347 I CA -0.618 60.691 61.300 0.015 0.000 1.059 347 I CB 1.399 39.400 38.000 0.002 0.000 1.229 347 I HN 0.489 nan 8.210 nan 0.000 0.442 348 R N 4.682 125.196 120.500 0.024 0.000 2.343 348 R HA 0.865 5.205 4.340 0.000 0.000 0.320 348 R C -0.171 176.142 176.300 0.021 0.000 0.956 348 R CA -0.741 55.374 56.100 0.026 0.000 0.836 348 R CB 2.377 32.697 30.300 0.033 0.000 1.151 348 R HN 0.826 nan 8.270 nan 0.000 0.450 349 G N 0.098 108.911 108.800 0.022 0.000 2.721 349 G HA2 0.398 4.358 3.960 0.000 0.000 0.296 349 G HA3 0.398 4.358 3.960 0.000 0.000 0.296 349 G C 0.381 175.296 174.900 0.025 0.000 1.383 349 G CA 0.031 45.144 45.100 0.022 0.000 0.788 349 G HN 0.591 nan 8.290 nan 0.000 0.500 350 T N -1.878 112.692 114.554 0.026 0.000 5.690 350 T HA -0.333 4.017 4.350 0.000 0.000 0.185 350 T C 1.273 175.993 174.700 0.033 0.000 1.700 350 T CA 2.608 64.726 62.100 0.030 0.000 1.180 350 T CB -1.817 67.069 68.868 0.030 0.000 1.351 350 T HN 1.370 nan 8.240 nan 0.000 0.460 351 T N 0.940 115.521 114.554 0.046 0.000 2.855 351 T HA 0.495 4.845 4.350 0.000 0.000 0.275 351 T C 1.419 176.157 174.700 0.063 0.000 1.022 351 T CA 0.241 62.373 62.100 0.053 0.000 0.977 351 T CB 1.119 70.015 68.868 0.047 0.000 1.559 351 T HN 0.752 nan 8.240 nan 0.000 0.600 352 E N 0.006 120.251 120.200 0.074 0.000 2.236 352 E HA -0.275 4.075 4.350 0.000 0.000 0.205 352 E C 1.596 178.238 176.600 0.069 0.000 1.028 352 E CA 1.908 58.356 56.400 0.081 0.000 0.827 352 E CB -0.136 29.591 29.700 0.045 0.000 0.735 352 E HN 0.504 nan 8.360 nan 0.000 0.470 353 H N -0.580 118.492 119.070 0.003 0.000 2.368 353 H HA 0.111 4.667 4.556 0.000 0.000 0.311 353 H C 2.191 177.522 175.328 0.004 0.000 1.042 353 H CA 1.045 57.095 56.048 0.003 0.000 1.377 353 H CB 0.385 30.149 29.762 0.004 0.000 1.473 353 H HN 0.061 nan 8.280 nan 0.000 0.593 354 V N 2.098 122.083 119.914 0.120 0.000 2.511 354 V HA -0.290 3.830 4.120 0.000 0.000 0.257 354 V C 2.408 178.511 176.094 0.015 0.000 1.088 354 V CA 1.478 63.809 62.300 0.052 0.000 1.098 354 V CB -0.806 31.047 31.823 0.049 0.000 0.674 354 V HN 0.309 nan 8.190 nan 0.000 0.470 355 I N 0.137 120.713 120.570 0.009 0.000 2.146 355 I HA -0.152 4.019 4.170 0.000 0.000 0.231 355 I C 2.579 178.674 176.117 -0.036 0.000 1.063 355 I CA 1.420 62.715 61.300 -0.008 0.000 1.340 355 I CB -0.784 37.214 38.000 -0.003 0.000 1.100 355 I HN 0.208 nan 8.210 nan 0.000 0.403 356 E N 0.656 120.818 120.200 -0.064 0.000 2.271 356 E HA -0.356 3.994 4.350 0.000 0.000 0.209 356 E C 1.846 178.384 176.600 -0.103 0.000 1.046 356 E CA 2.095 58.438 56.400 -0.095 0.000 0.840 356 E CB -0.257 29.359 29.700 -0.141 0.000 0.738 356 E HN 0.497 nan 8.360 nan 0.000 0.470 357 E N 0.726 120.865 120.200 -0.101 0.000 2.015 357 E HA -0.154 4.196 4.350 0.000 0.000 0.191 357 E C 2.013 178.592 176.600 -0.035 0.000 0.991 357 E CA 1.568 57.931 56.400 -0.062 0.000 0.802 357 E CB -0.251 29.423 29.700 -0.044 0.000 0.759 357 E HN 0.067 nan 8.360 nan 0.000 0.447 358 V N 1.322 121.222 119.914 -0.023 0.000 2.568 358 V HA -0.234 3.886 4.120 0.000 0.000 0.253 358 V C 2.444 178.527 176.094 -0.019 0.000 1.072 358 V CA 1.691 63.983 62.300 -0.014 0.000 1.084 358 V CB -1.087 30.733 31.823 -0.005 0.000 0.676 358 V HN 0.510 nan 8.190 nan 0.000 0.469 359 A N -0.123 122.680 122.820 -0.028 0.000 1.930 359 A HA -0.168 4.153 4.320 0.000 0.000 0.217 359 A C 2.434 179.999 177.584 -0.031 0.000 1.175 359 A CA 1.550 53.568 52.037 -0.031 0.000 0.627 359 A CB -0.401 18.575 19.000 -0.039 0.000 0.815 359 A HN 0.482 nan 8.150 nan 0.000 0.443 360 R N -0.854 119.625 120.500 -0.035 0.000 2.119 360 R HA 0.070 4.410 4.340 0.000 0.000 0.222 360 R C 2.260 178.548 176.300 -0.021 0.000 1.088 360 R CA 0.931 57.013 56.100 -0.031 0.000 0.984 360 R CB -0.251 30.026 30.300 -0.039 0.000 0.884 360 R HN 0.477 nan 8.270 nan 0.000 0.447 361 A N 0.259 123.069 122.820 -0.018 0.000 2.119 361 A HA -0.048 4.272 4.320 0.000 0.000 0.217 361 A C 2.045 179.624 177.584 -0.008 0.000 1.153 361 A CA 0.725 52.757 52.037 -0.009 0.000 0.692 361 A CB -0.198 18.800 19.000 -0.004 0.000 0.799 361 A HN 0.209 nan 8.150 nan 0.000 0.458 362 V N -0.194 119.714 119.914 -0.011 0.000 2.346 362 V HA -0.152 3.968 4.120 0.000 0.000 0.244 362 V C 2.018 178.104 176.094 -0.013 0.000 1.037 362 V CA 2.631 64.924 62.300 -0.011 0.000 1.029 362 V CB -0.357 31.458 31.823 -0.013 0.000 0.663 362 V HN 0.520 nan 8.190 nan 0.000 0.454 363 D N 0.130 120.520 120.400 -0.017 0.000 2.144 363 D HA -0.144 4.496 4.640 0.000 0.000 0.199 363 D C 1.835 178.127 176.300 -0.014 0.000 0.984 363 D CA 1.519 55.509 54.000 -0.018 0.000 0.834 363 D CB -0.180 40.607 40.800 -0.021 0.000 0.955 363 D HN 0.593 nan 8.370 nan 0.000 0.465 364 D N 0.072 120.465 120.400 -0.012 0.000 2.123 364 D HA -0.074 4.566 4.640 0.000 0.000 0.200 364 D C 1.923 178.219 176.300 -0.006 0.000 0.976 364 D CA 1.026 55.021 54.000 -0.009 0.000 0.831 364 D CB -0.461 40.334 40.800 -0.008 0.000 0.974 364 D HN 0.179 nan 8.370 nan 0.000 0.469 365 A N 0.774 123.590 122.820 -0.006 0.000 2.076 365 A HA -0.092 4.228 4.320 0.000 0.000 0.220 365 A C 2.227 179.807 177.584 -0.006 0.000 1.160 365 A CA 0.915 52.949 52.037 -0.005 0.000 0.653 365 A CB -0.353 18.645 19.000 -0.003 0.000 0.801 365 A HN 0.186 nan 8.150 nan 0.000 0.455 366 V N -1.142 118.767 119.914 -0.009 0.000 3.650 366 V HA 0.090 4.210 4.120 0.000 0.000 0.271 366 V C 2.245 178.334 176.094 -0.009 0.000 1.281 366 V CA 0.993 63.287 62.300 -0.010 0.000 1.120 366 V CB -0.027 31.788 31.823 -0.013 0.000 0.856 366 V HN 0.556 nan 8.190 nan 0.000 0.443 367 G N 0.628 109.423 108.800 -0.008 0.000 2.595 367 G HA2 -0.037 3.923 3.960 0.000 0.000 0.213 367 G HA3 -0.037 3.923 3.960 0.000 0.000 0.213 367 G C 1.418 176.315 174.900 -0.005 0.000 1.141 367 G CA 1.165 46.261 45.100 -0.007 0.000 0.806 367 G HN 0.545 nan 8.290 nan 0.000 0.530 368 V N -1.411 118.501 119.914 -0.004 0.000 3.647 368 V HA 0.208 4.328 4.120 0.000 0.000 0.279 368 V C 2.038 178.131 176.094 -0.002 0.000 1.314 368 V CA 0.475 62.773 62.300 -0.002 0.000 1.125 368 V CB 0.298 32.121 31.823 -0.001 0.000 0.907 368 V HN 0.045 nan 8.190 nan 0.000 0.434 369 V N 1.522 121.435 119.914 -0.002 0.000 2.992 369 V HA 0.190 4.310 4.120 0.000 0.000 0.250 369 V C 2.803 178.895 176.094 -0.003 0.000 1.090 369 V CA 1.521 63.820 62.300 -0.002 0.000 1.101 369 V CB -0.678 31.144 31.823 -0.002 0.000 0.743 369 V HN 0.565 nan 8.190 nan 0.000 0.468 370 G N 0.483 109.280 108.800 -0.004 0.000 2.501 370 G HA2 -0.234 3.726 3.960 0.000 0.000 0.220 370 G HA3 -0.234 3.726 3.960 0.000 0.000 0.220 370 G C 0.878 175.775 174.900 -0.003 0.000 1.114 370 G CA 1.260 46.358 45.100 -0.005 0.000 0.757 370 G HN 0.707 nan 8.290 nan 0.000 0.559 371 C N 0.346 119.645 119.300 -0.003 0.000 3.163 371 C HA 0.598 5.058 4.460 0.000 0.000 0.228 371 C C 1.096 176.086 174.990 -0.001 0.000 1.593 371 C CA -0.361 58.656 59.018 -0.002 0.000 1.489 371 C CB -0.919 26.820 27.740 -0.002 0.000 2.294 371 C HN 0.216 nan 8.230 nan 0.000 0.508 372 T N -3.168 111.385 114.554 -0.000 0.000 3.215 372 T HA 0.358 4.708 4.350 0.000 0.000 0.271 372 T C 1.043 175.743 174.700 0.000 0.000 1.012 372 T CA 0.050 62.150 62.100 0.000 0.000 0.899 372 T CB -0.025 68.844 68.868 0.001 0.000 1.089 372 T HN 0.502 nan 8.240 nan 0.000 0.552 373 I N 1.151 121.720 120.570 -0.001 0.000 2.900 373 I HA 0.080 4.250 4.170 0.000 0.000 0.251 373 I C 2.191 178.308 176.117 -0.001 0.000 1.102 373 I CA 0.487 61.787 61.300 -0.001 0.000 1.457 373 I CB -0.835 37.164 38.000 -0.001 0.000 1.285 373 I HN 0.284 nan 8.210 nan 0.000 0.459 374 E N 1.465 121.665 120.200 -0.001 0.000 2.786 374 E HA -0.302 4.048 4.350 0.000 0.000 0.237 374 E C 0.225 176.824 176.600 -0.001 0.000 0.950 374 E CA 2.028 58.427 56.400 -0.002 0.000 1.380 374 E CB -0.445 29.254 29.700 -0.002 0.000 1.351 374 E HN 0.355 nan 8.360 nan 0.000 0.484 375 D N -1.600 118.799 120.400 -0.001 0.000 2.879 375 D HA 0.353 4.993 4.640 0.000 0.000 0.236 375 D C -0.494 175.806 176.300 -0.000 0.000 1.171 375 D CA -0.052 53.947 54.000 -0.001 0.000 0.868 375 D CB 1.901 42.700 40.800 -0.001 0.000 1.598 375 D HN 0.222 nan 8.370 nan 0.000 0.497 376 G N 1.907 110.707 108.800 0.000 0.000 3.814 376 G HA2 0.270 4.230 3.960 0.000 0.000 0.293 376 G HA3 0.270 4.230 3.960 0.000 0.000 0.293 376 G C 0.355 175.256 174.900 0.002 0.000 1.243 376 G CA -0.160 44.940 45.100 0.001 0.000 1.053 376 G HN 0.209 nan 8.290 nan 0.000 0.562 377 R N 0.040 120.541 120.500 0.002 0.000 2.633 377 R HA 0.293 4.633 4.340 0.000 0.000 0.256 377 R C -1.160 175.143 176.300 0.005 0.000 1.131 377 R CA -0.671 55.431 56.100 0.003 0.000 0.994 377 R CB 1.675 31.976 30.300 0.002 0.000 1.261 377 R HN 0.289 nan 8.270 nan 0.000 0.446 378 I N 0.495 121.069 120.570 0.007 0.000 2.493 378 I HA 0.827 4.997 4.170 0.000 0.000 0.298 378 I C -0.912 175.214 176.117 0.014 0.000 0.998 378 I CA -0.824 60.482 61.300 0.010 0.000 1.137 378 I CB 1.999 40.005 38.000 0.009 0.000 1.310 378 I HN 0.294 nan 8.210 nan 0.000 0.445 379 V N 3.401 123.325 119.914 0.016 0.000 3.216 379 V HA 0.357 4.477 4.120 0.000 0.000 0.302 379 V C -0.216 175.894 176.094 0.028 0.000 1.286 379 V CA -0.490 61.826 62.300 0.027 0.000 1.048 379 V CB 2.880 34.720 31.823 0.027 0.000 1.081 379 V HN 0.897 nan 8.190 nan 0.000 0.442 380 S N 3.382 119.108 115.700 0.043 0.000 2.519 380 S HA 0.320 4.790 4.470 0.000 0.000 0.320 380 S C 0.791 175.417 174.600 0.043 0.000 1.179 380 S CA 0.301 58.532 58.200 0.052 0.000 1.173 380 S CB 0.199 63.454 63.200 0.091 0.000 1.224 380 S HN 1.255 nan 8.310 nan 0.000 0.542 381 G N 2.939 111.755 108.800 0.027 0.000 2.221 381 G HA2 0.142 4.102 3.960 0.000 0.000 0.536 381 G HA3 0.142 4.102 3.960 0.000 0.000 0.536 381 G C 0.831 175.742 174.900 0.018 0.000 1.308 381 G CA -0.295 44.816 45.100 0.017 0.000 1.227 381 G HN 0.886 nan 8.290 nan 0.000 0.674 382 G N -0.911 107.890 108.800 0.001 0.000 2.608 382 G HA2 0.522 4.482 3.960 0.000 0.000 0.283 382 G HA3 0.522 4.482 3.960 0.000 0.000 0.283 382 G C 1.013 175.909 174.900 -0.006 0.000 0.648 382 G CA 0.905 45.998 45.100 -0.012 0.000 2.117 382 G HN 2.005 nan 8.290 nan 0.000 0.545 383 G N 0.383 109.185 108.800 0.004 0.000 2.742 383 G HA2 -0.146 3.814 3.960 0.000 0.000 0.257 383 G HA3 -0.146 3.814 3.960 0.000 0.000 0.257 383 G C 0.813 175.733 174.900 0.033 0.000 1.143 383 G CA 0.142 45.243 45.100 0.001 0.000 1.064 383 G HN 0.582 nan 8.290 nan 0.000 0.529 384 S N -0.432 115.317 115.700 0.083 0.000 2.327 384 S HA -0.011 4.459 4.470 0.000 0.000 0.213 384 S C 2.607 177.120 174.600 -0.144 0.000 1.032 384 S CA 1.858 60.176 58.200 0.197 0.000 0.960 384 S CB -0.224 63.232 63.200 0.427 0.000 0.900 384 S HN 0.697 nan 8.310 nan 0.000 0.469 385 T N 3.040 117.555 114.554 -0.065 0.000 2.803 385 T HA -0.099 4.251 4.350 0.000 0.000 0.269 385 T C 1.675 176.304 174.700 -0.118 0.000 1.052 385 T CA 1.205 63.248 62.100 -0.096 0.000 1.136 385 T CB -0.289 68.561 68.868 -0.031 0.000 0.864 385 T HN 0.412 nan 8.240 nan 0.000 0.467 386 E N 1.251 121.394 120.200 -0.095 0.000 2.051 386 E HA -0.042 4.308 4.350 0.000 0.000 0.189 386 E C 2.723 179.268 176.600 -0.092 0.000 0.979 386 E CA 1.092 57.446 56.400 -0.077 0.000 0.803 386 E CB -1.058 28.607 29.700 -0.058 0.000 0.761 386 E HN 0.573 nan 8.360 nan 0.000 0.451 387 V N 0.183 120.029 119.914 -0.113 0.000 2.667 387 V HA -0.126 3.994 4.120 0.000 0.000 0.252 387 V C 2.183 178.181 176.094 -0.160 0.000 1.065 387 V CA 2.062 64.298 62.300 -0.106 0.000 1.083 387 V CB -0.257 31.525 31.823 -0.068 0.000 0.692 387 V HN 0.021 nan 8.190 nan 0.000 0.468 388 E N 0.740 120.772 120.200 -0.280 0.000 2.086 388 E HA 0.004 4.354 4.350 0.000 0.000 0.190 388 E C 1.983 178.493 176.600 -0.150 0.000 0.975 388 E CA 1.400 57.618 56.400 -0.302 0.000 0.813 388 E CB -0.498 28.855 29.700 -0.578 0.000 0.768 388 E HN 0.638 nan 8.360 nan 0.000 0.457 389 L N 0.399 121.546 121.223 -0.127 0.000 2.013 389 L HA -0.253 4.087 4.340 0.000 0.000 0.212 389 L C 2.606 179.446 176.870 -0.050 0.000 1.073 389 L CA 1.574 56.368 54.840 -0.076 0.000 0.753 389 L CB -0.820 41.207 42.059 -0.053 0.000 0.890 389 L HN 0.227 nan 8.230 nan 0.000 0.432 390 S N 0.829 116.498 115.700 -0.052 0.000 2.377 390 S HA -0.324 4.146 4.470 0.000 0.000 0.224 390 S C 2.072 176.667 174.600 -0.008 0.000 1.042 390 S CA 2.328 60.513 58.200 -0.026 0.000 1.086 390 S CB -0.379 62.800 63.200 -0.036 0.000 0.995 390 S HN 0.524 nan 8.310 nan 0.000 0.428 391 M N -0.632 118.957 119.600 -0.017 0.000 2.549 391 M HA 0.065 4.545 4.480 0.000 0.000 0.260 391 M C 1.768 178.075 176.300 0.012 0.000 1.076 391 M CA 1.524 56.824 55.300 -0.001 0.000 1.090 391 M CB -0.181 32.418 32.600 -0.001 0.000 1.418 391 M HN 0.191 nan 8.290 nan 0.000 0.486 392 K N 0.483 120.885 120.400 0.004 0.000 2.276 392 K HA 0.222 4.542 4.320 0.000 0.000 0.198 392 K C 1.699 178.331 176.600 0.053 0.000 1.052 392 K CA 0.447 56.746 56.287 0.019 0.000 0.984 392 K CB 0.307 32.797 32.500 -0.016 0.000 0.836 392 K HN 0.375 nan 8.250 nan 0.000 0.490 393 L N 0.153 121.402 121.223 0.042 0.000 2.416 393 L HA 0.069 4.409 4.340 0.000 0.000 0.216 393 L C 2.292 179.266 176.870 0.173 0.000 1.098 393 L CA 0.285 55.177 54.840 0.087 0.000 0.840 393 L CB -0.048 41.999 42.059 -0.019 0.000 0.981 393 L HN 0.022 nan 8.230 nan 0.000 0.462 394 R N 0.981 121.542 120.500 0.101 0.000 2.083 394 R HA -0.168 4.172 4.340 0.000 0.000 0.237 394 R C 1.642 177.985 176.300 0.071 0.000 1.137 394 R CA 1.643 57.788 56.100 0.075 0.000 0.951 394 R CB -0.048 30.278 30.300 0.044 0.000 0.851 394 R HN 0.329 nan 8.270 nan 0.000 0.434 395 E N -1.035 119.211 120.200 0.077 0.000 2.465 395 E HA -0.102 4.248 4.350 0.000 0.000 0.191 395 E C 0.428 177.081 176.600 0.089 0.000 1.053 395 E CA 0.060 56.496 56.400 0.060 0.000 0.869 395 E CB 0.338 30.067 29.700 0.049 0.000 0.977 395 E HN 0.476 nan 8.360 nan 0.000 0.483 396 Y N 0.485 120.781 120.300 -0.007 0.000 2.497 396 Y HA 0.225 4.775 4.550 0.000 0.000 0.265 396 Y C 1.992 177.888 175.900 -0.007 0.000 1.111 396 Y CA 0.525 58.619 58.100 -0.009 0.000 1.288 396 Y CB 0.140 38.590 38.460 -0.017 0.000 1.082 396 Y HN 0.003 nan 8.280 nan 0.000 0.536 397 A N 0.827 123.630 122.820 -0.029 0.000 1.828 397 A HA -0.205 4.115 4.320 0.000 0.000 0.215 397 A C 2.002 179.485 177.584 -0.169 0.000 1.203 397 A CA 1.948 53.924 52.037 -0.101 0.000 0.614 397 A CB -0.842 18.159 19.000 0.002 0.000 0.844 397 A HN 0.529 nan 8.150 nan 0.000 0.445 398 E N -0.338 119.809 120.200 -0.089 0.000 2.396 398 E HA -0.126 4.224 4.350 0.000 0.000 0.200 398 E C 1.895 178.433 176.600 -0.104 0.000 1.023 398 E CA 0.405 56.761 56.400 -0.073 0.000 0.857 398 E CB -0.379 29.299 29.700 -0.036 0.000 0.775 398 E HN 0.642 nan 8.360 nan 0.000 0.525 399 G N 2.597 111.294 108.800 -0.173 0.000 2.628 399 G HA2 -0.312 3.648 3.960 0.000 0.000 0.217 399 G HA3 -0.312 3.648 3.960 0.000 0.000 0.217 399 G C 1.616 176.380 174.900 -0.227 0.000 1.240 399 G CA 1.306 46.262 45.100 -0.239 0.000 0.792 399 G HN 0.382 nan 8.290 nan 0.000 0.593 400 I N -1.717 118.673 120.570 -0.299 0.000 2.179 400 I HA 0.065 4.235 4.170 0.000 0.000 0.242 400 I C 1.183 177.233 176.117 -0.111 0.000 1.088 400 I CA 1.269 62.434 61.300 -0.224 0.000 1.357 400 I CB -1.017 36.842 38.000 -0.235 0.000 1.051 400 I HN 0.451 nan 8.210 nan 0.000 0.409 401 S N 0.312 115.964 115.700 -0.080 0.000 3.089 401 S HA 0.199 4.670 4.470 0.000 0.000 0.857 401 S C -0.085 174.500 174.600 -0.026 0.000 1.012 401 S CA 0.688 58.861 58.200 -0.045 0.000 1.286 401 S CB -1.275 61.905 63.200 -0.033 0.000 0.913 401 S HN 2.277 nan 8.310 nan 0.000 0.247 402 G N 5.265 114.058 108.800 -0.013 0.000 2.428 402 G HA2 0.005 3.965 3.960 0.000 0.000 0.202 402 G HA3 0.005 3.965 3.960 0.000 0.000 0.202 402 G C 0.188 175.093 174.900 0.009 0.000 1.247 402 G CA 0.682 45.781 45.100 -0.001 0.000 1.020 402 G HN 1.956 nan 8.290 nan 0.000 0.529 403 R N -0.123 120.387 120.500 0.016 0.000 2.133 403 R HA -0.165 4.175 4.340 0.000 0.000 0.245 403 R C 1.955 178.280 176.300 0.041 0.000 1.137 403 R CA 2.762 58.877 56.100 0.025 0.000 0.947 403 R CB -0.920 29.394 30.300 0.023 0.000 0.865 403 R HN 0.504 nan 8.270 nan 0.000 0.437 404 E N 1.297 121.521 120.200 0.039 0.000 2.187 404 E HA -0.306 4.044 4.350 0.000 0.000 0.199 404 E C 1.835 178.476 176.600 0.068 0.000 1.004 404 E CA 1.772 58.208 56.400 0.059 0.000 0.813 404 E CB -0.562 29.175 29.700 0.061 0.000 0.736 404 E HN 0.703 nan 8.360 nan 0.000 0.468 405 Q N 0.565 120.384 119.800 0.033 0.000 1.800 405 Q HA -0.268 4.072 4.340 0.000 0.000 0.292 405 Q C 1.619 177.658 176.000 0.066 0.000 1.027 405 Q CA 2.158 57.977 55.803 0.026 0.000 0.890 405 Q CB -0.305 28.438 28.738 0.008 0.000 0.968 405 Q HN 0.195 nan 8.270 nan 0.000 0.415 406 L N 0.093 121.356 121.223 0.067 0.000 2.463 406 L HA -0.398 3.942 4.340 0.000 0.000 0.225 406 L C 2.316 179.290 176.870 0.173 0.000 1.130 406 L CA 2.984 57.880 54.840 0.094 0.000 0.859 406 L CB -1.503 40.596 42.059 0.066 0.000 0.936 406 L HN 0.590 nan 8.230 nan 0.000 0.452 407 A N -1.634 121.335 122.820 0.250 0.000 1.997 407 A HA 0.143 4.463 4.320 0.000 0.000 0.212 407 A C 2.106 179.906 177.584 0.361 0.000 1.178 407 A CA 0.927 53.312 52.037 0.581 0.000 0.698 407 A CB -0.453 18.859 19.000 0.521 0.000 0.842 407 A HN 0.341 nan 8.150 nan 0.000 0.458 408 V N -0.465 119.555 119.914 0.176 0.000 2.591 408 V HA -0.164 3.956 4.120 0.000 0.000 0.249 408 V C 2.258 178.409 176.094 0.094 0.000 1.053 408 V CA 1.414 63.775 62.300 0.101 0.000 1.068 408 V CB -1.158 30.768 31.823 0.172 0.000 0.689 408 V HN 0.650 nan 8.190 nan 0.000 0.462 409 R N 2.556 123.117 120.500 0.101 0.000 2.066 409 R HA 0.098 4.438 4.340 0.000 0.000 0.232 409 R C 2.270 178.612 176.300 0.070 0.000 1.131 409 R CA 1.601 57.748 56.100 0.079 0.000 0.955 409 R CB -1.045 29.294 30.300 0.065 0.000 0.851 409 R HN 0.488 nan 8.270 nan 0.000 0.432 410 A N 0.227 123.106 122.820 0.099 0.000 2.167 410 A HA -0.006 4.314 4.320 0.000 0.000 0.214 410 A C 1.538 179.132 177.584 0.016 0.000 1.151 410 A CA 0.385 52.482 52.037 0.100 0.000 0.735 410 A CB -0.370 18.762 19.000 0.221 0.000 0.802 410 A HN 0.402 nan 8.150 nan 0.000 0.467 411 F N -0.589 119.213 119.950 -0.246 0.000 2.656 411 F HA 0.376 4.903 4.527 0.000 0.000 0.291 411 F C 2.177 177.866 175.800 -0.185 0.000 1.122 411 F CA 0.282 58.061 58.000 -0.367 0.000 1.427 411 F CB 0.041 38.623 39.000 -0.697 0.000 1.125 411 F HN 0.217 nan 8.300 nan 0.000 0.583 412 A N -0.330 122.532 122.820 0.069 0.000 1.850 412 A HA -0.076 4.244 4.320 0.000 0.000 0.212 412 A C 1.977 179.549 177.584 -0.020 0.000 1.208 412 A CA 1.558 53.618 52.037 0.037 0.000 0.609 412 A CB -0.944 18.078 19.000 0.037 0.000 0.860 412 A HN 0.223 nan 8.150 nan 0.000 0.448 413 D N 0.145 120.537 120.400 -0.014 0.000 2.218 413 D HA -0.041 4.599 4.640 0.000 0.000 0.204 413 D C 2.128 178.396 176.300 -0.055 0.000 0.976 413 D CA 1.140 55.126 54.000 -0.024 0.000 0.853 413 D CB -0.186 40.613 40.800 -0.002 0.000 0.939 413 D HN 0.366 nan 8.370 nan 0.000 0.481 414 A N 0.845 123.606 122.820 -0.099 0.000 1.892 414 A HA -0.199 4.121 4.320 0.000 0.000 0.218 414 A C 2.226 179.706 177.584 -0.173 0.000 1.188 414 A CA 1.336 53.274 52.037 -0.164 0.000 0.631 414 A CB -0.993 17.894 19.000 -0.189 0.000 0.822 414 A HN 0.372 nan 8.150 nan 0.000 0.447 415 L N -0.809 120.316 121.223 -0.163 0.000 2.563 415 L HA -0.183 4.157 4.340 0.000 0.000 0.230 415 L C 1.922 178.746 176.870 -0.077 0.000 1.162 415 L CA 1.488 56.263 54.840 -0.109 0.000 0.812 415 L CB -0.768 41.242 42.059 -0.082 0.000 0.935 415 L HN 0.404 nan 8.230 nan 0.000 0.451 416 E N 0.134 120.293 120.200 -0.067 0.000 2.340 416 E HA -0.044 4.306 4.350 0.000 0.000 0.194 416 E C 2.056 178.627 176.600 -0.048 0.000 0.996 416 E CA 0.830 57.201 56.400 -0.049 0.000 0.869 416 E CB 0.235 29.914 29.700 -0.036 0.000 0.835 416 E HN 0.440 nan 8.360 nan 0.000 0.493 417 V N 1.366 121.244 119.914 -0.060 0.000 2.325 417 V HA -0.429 3.691 4.120 0.000 0.000 0.244 417 V C 2.093 178.157 176.094 -0.050 0.000 1.012 417 V CA 2.023 64.287 62.300 -0.059 0.000 1.102 417 V CB -1.212 30.576 31.823 -0.059 0.000 0.777 417 V HN 0.158 nan 8.190 nan 0.000 0.503 418 I N 1.008 121.545 120.570 -0.055 0.000 2.113 418 I HA -0.071 4.099 4.170 0.000 0.000 0.238 418 I C 0.561 176.653 176.117 -0.041 0.000 1.070 418 I CA 1.878 63.150 61.300 -0.047 0.000 1.332 418 I CB -3.071 34.902 38.000 -0.045 0.000 1.044 418 I HN 0.383 nan 8.210 nan 0.000 0.402 419 P HA -0.189 nan 4.420 nan 0.000 0.216 419 P C 1.944 179.224 177.300 -0.033 0.000 1.154 419 P CA 1.718 64.797 63.100 -0.035 0.000 0.865 419 P CB -0.184 31.498 31.700 -0.030 0.000 0.789 420 R N -0.515 119.966 120.500 -0.033 0.000 2.066 420 R HA -0.111 4.229 4.340 0.000 0.000 0.232 420 R C 2.335 178.617 176.300 -0.030 0.000 1.131 420 R CA 2.235 58.317 56.100 -0.029 0.000 0.955 420 R CB -0.993 29.290 30.300 -0.028 0.000 0.851 420 R HN 0.255 nan 8.270 nan 0.000 0.432 421 T N -0.534 114.001 114.554 -0.033 0.000 2.699 421 T HA -0.165 4.185 4.350 0.000 0.000 0.268 421 T C 1.937 176.616 174.700 -0.036 0.000 1.036 421 T CA 1.526 63.607 62.100 -0.032 0.000 1.147 421 T CB -0.415 68.435 68.868 -0.031 0.000 0.862 421 T HN 0.244 nan 8.240 nan 0.000 0.446 422 L N 0.953 122.151 121.223 -0.041 0.000 2.217 422 L HA 0.153 4.493 4.340 0.000 0.000 0.211 422 L C 3.343 180.180 176.870 -0.056 0.000 1.107 422 L CA 0.693 55.502 54.840 -0.051 0.000 0.783 422 L CB -0.923 41.101 42.059 -0.058 0.000 0.919 422 L HN 0.388 nan 8.230 nan 0.000 0.442 423 A N 0.425 123.217 122.820 -0.046 0.000 1.869 423 A HA -0.322 3.998 4.320 0.000 0.000 0.218 423 A C 2.269 179.835 177.584 -0.030 0.000 1.203 423 A CA 2.301 54.316 52.037 -0.037 0.000 0.638 423 A CB -0.683 18.300 19.000 -0.028 0.000 0.831 423 A HN 0.451 nan 8.150 nan 0.000 0.450 424 E N -0.517 119.667 120.200 -0.027 0.000 2.058 424 E HA -0.214 4.136 4.350 0.000 0.000 0.194 424 E C 1.905 178.492 176.600 -0.022 0.000 0.997 424 E CA 1.291 57.679 56.400 -0.021 0.000 0.801 424 E CB -0.195 29.493 29.700 -0.020 0.000 0.746 424 E HN 0.652 nan 8.360 nan 0.000 0.450 425 N N 0.546 119.230 118.700 -0.027 0.000 2.149 425 N HA -0.167 4.574 4.740 0.000 0.000 0.188 425 N C 1.605 177.098 175.510 -0.029 0.000 1.019 425 N CA 1.176 54.210 53.050 -0.027 0.000 0.857 425 N CB -0.310 38.158 38.487 -0.031 0.000 0.997 425 N HN 0.106 nan 8.380 nan 0.000 0.426 426 A N 0.579 123.376 122.820 -0.038 0.000 2.248 426 A HA 0.244 4.564 4.320 0.000 0.000 0.210 426 A C 1.596 179.169 177.584 -0.018 0.000 1.174 426 A CA 0.940 52.956 52.037 -0.035 0.000 0.750 426 A CB -0.767 18.198 19.000 -0.057 0.000 0.780 426 A HN 0.380 nan 8.150 nan 0.000 0.478 427 G N -1.329 107.461 108.800 -0.016 0.000 2.225 427 G HA2 -0.250 3.711 3.960 0.000 0.000 0.267 427 G HA3 -0.250 3.711 3.960 0.000 0.000 0.267 427 G C 0.152 175.047 174.900 -0.008 0.000 1.024 427 G CA 0.682 45.776 45.100 -0.010 0.000 0.784 427 G HN 0.470 nan 8.290 nan 0.000 0.507 428 L N -0.557 120.660 121.223 -0.011 0.000 2.448 428 L HA 0.411 4.751 4.340 0.000 0.000 0.258 428 L C 0.539 177.404 176.870 -0.008 0.000 1.104 428 L CA -0.886 53.949 54.840 -0.008 0.000 0.800 428 L CB 0.501 42.554 42.059 -0.009 0.000 1.241 428 L HN 0.011 nan 8.230 nan 0.000 0.472 429 D N 0.336 120.733 120.400 -0.006 0.000 2.344 429 D HA 0.140 4.781 4.640 0.000 0.000 0.253 429 D C 0.492 176.788 176.300 -0.007 0.000 1.255 429 D CA 0.103 54.100 54.000 -0.005 0.000 0.894 429 D CB 1.792 42.590 40.800 -0.003 0.000 1.067 429 D HN 0.600 nan 8.370 nan 0.000 0.492 430 A N 4.959 127.773 122.820 -0.009 0.000 1.930 430 A HA -0.151 4.169 4.320 0.000 0.000 0.217 430 A C 2.220 179.800 177.584 -0.007 0.000 1.175 430 A CA 0.494 52.525 52.037 -0.010 0.000 0.627 430 A CB -0.438 18.554 19.000 -0.014 0.000 0.815 430 A HN 0.790 nan 8.150 nan 0.000 0.443 431 I N -0.350 120.217 120.570 -0.005 0.000 2.236 431 I HA -0.325 3.845 4.170 0.000 0.000 0.249 431 I C 1.796 177.913 176.117 -0.001 0.000 1.102 431 I CA 2.611 63.910 61.300 -0.003 0.000 1.365 431 I CB -0.310 37.688 38.000 -0.003 0.000 1.051 431 I HN 0.459 nan 8.210 nan 0.000 0.420 432 E N 0.899 121.099 120.200 -0.000 0.000 2.190 432 E HA -0.027 4.323 4.350 0.000 0.000 0.191 432 E C 2.206 178.809 176.600 0.004 0.000 0.978 432 E CA 1.063 57.464 56.400 0.002 0.000 0.839 432 E CB -0.010 29.692 29.700 0.003 0.000 0.787 432 E HN 0.570 nan 8.360 nan 0.000 0.473 433 I N 1.078 121.649 120.570 0.002 0.000 2.113 433 I HA -0.264 3.906 4.170 0.000 0.000 0.238 433 I C 2.106 178.227 176.117 0.005 0.000 1.070 433 I CA 0.894 62.196 61.300 0.003 0.000 1.332 433 I CB -0.281 37.718 38.000 -0.001 0.000 1.044 433 I HN 0.142 nan 8.210 nan 0.000 0.402 434 L N 0.407 121.631 121.223 0.001 0.000 2.187 434 L HA -0.163 4.177 4.340 0.000 0.000 0.213 434 L C 2.502 179.376 176.870 0.007 0.000 1.100 434 L CA 1.501 56.342 54.840 0.001 0.000 0.765 434 L CB -0.929 41.126 42.059 -0.006 0.000 0.904 434 L HN 0.214 nan 8.230 nan 0.000 0.437 435 V N -0.648 119.271 119.914 0.007 0.000 2.649 435 V HA -0.163 3.957 4.120 0.000 0.000 0.248 435 V C 2.429 178.533 176.094 0.016 0.000 1.054 435 V CA 1.048 63.354 62.300 0.010 0.000 1.073 435 V CB -0.336 31.491 31.823 0.008 0.000 0.699 435 V HN 0.401 nan 8.190 nan 0.000 0.463 436 K N 0.115 120.524 120.400 0.015 0.000 2.057 436 K HA -0.085 4.235 4.320 0.000 0.000 0.206 436 K C 1.989 178.606 176.600 0.029 0.000 1.050 436 K CA 1.332 57.630 56.287 0.019 0.000 0.935 436 K CB -0.244 32.265 32.500 0.015 0.000 0.715 436 K HN 0.352 nan 8.250 nan 0.000 0.439 437 V N 1.181 121.116 119.914 0.035 0.000 2.871 437 V HA -0.118 4.002 4.120 0.000 0.000 0.256 437 V C 2.182 178.329 176.094 0.088 0.000 1.082 437 V CA 1.147 63.485 62.300 0.062 0.000 1.105 437 V CB -0.490 31.367 31.823 0.057 0.000 0.713 437 V HN 0.252 nan 8.190 nan 0.000 0.473 438 R N 0.476 121.008 120.500 0.052 0.000 2.061 438 R HA -0.120 4.220 4.340 0.000 0.000 0.230 438 R C 2.480 178.818 176.300 0.064 0.000 1.140 438 R CA 1.639 57.764 56.100 0.043 0.000 0.940 438 R CB -0.559 29.753 30.300 0.020 0.000 0.839 438 R HN 0.502 nan 8.270 nan 0.000 0.429 439 A N 0.667 123.515 122.820 0.047 0.000 1.940 439 A HA -0.126 4.194 4.320 0.000 0.000 0.219 439 A C 2.217 179.828 177.584 0.046 0.000 1.176 439 A CA 1.829 53.889 52.037 0.039 0.000 0.631 439 A CB -0.474 18.542 19.000 0.026 0.000 0.814 439 A HN 0.474 nan 8.150 nan 0.000 0.446 440 A N -2.114 120.738 122.820 0.053 0.000 2.016 440 A HA -0.019 4.301 4.320 0.000 0.000 0.217 440 A C 1.921 179.529 177.584 0.041 0.000 1.162 440 A CA 1.570 53.628 52.037 0.035 0.000 0.662 440 A CB -0.591 18.424 19.000 0.026 0.000 0.812 440 A HN 0.754 nan 8.150 nan 0.000 0.450 441 H N -1.454 117.617 119.070 0.002 0.000 2.451 441 H HA 0.288 4.844 4.556 0.000 0.000 0.294 441 H C 2.354 177.683 175.328 0.002 0.000 1.028 441 H CA 0.658 56.707 56.048 0.001 0.000 1.349 441 H CB 0.139 29.900 29.762 -0.000 0.000 1.444 441 H HN 0.451 nan 8.280 nan 0.000 0.538 442 A N 0.266 123.176 122.820 0.149 0.000 1.896 442 A HA -0.284 4.036 4.320 0.000 0.000 0.220 442 A C 2.380 180.002 177.584 0.063 0.000 1.206 442 A CA 2.511 54.597 52.037 0.083 0.000 0.647 442 A CB -0.881 18.150 19.000 0.051 0.000 0.828 442 A HN 0.494 nan 8.150 nan 0.000 0.455 443 S N -0.554 115.174 115.700 0.047 0.000 2.362 443 S HA -0.067 4.403 4.470 0.000 0.000 0.221 443 S C 1.773 176.376 174.600 0.004 0.000 1.032 443 S CA 1.386 59.599 58.200 0.022 0.000 0.973 443 S CB -0.438 62.773 63.200 0.018 0.000 0.849 443 S HN 0.737 nan 8.310 nan 0.000 0.465 444 N N 0.151 118.841 118.700 -0.017 0.000 2.436 444 N HA 0.414 5.154 4.740 0.000 0.000 0.178 444 N C 0.483 175.956 175.510 -0.061 0.000 1.026 444 N CA 0.584 53.606 53.050 -0.045 0.000 0.880 444 N CB 0.693 39.138 38.487 -0.070 0.000 1.061 444 N HN 0.479 nan 8.380 nan 0.000 0.434 445 G N 0.084 108.828 108.800 -0.094 0.000 2.326 445 G HA2 -0.146 3.814 3.960 0.000 0.000 0.413 445 G HA3 -0.146 3.814 3.960 0.000 0.000 0.413 445 G C -0.693 174.073 174.900 -0.224 0.000 1.444 445 G CA -0.443 44.614 45.100 -0.072 0.000 1.002 445 G HN 0.257 nan 8.290 nan 0.000 0.649 446 N N -0.290 118.390 118.700 -0.033 0.000 2.459 446 N HA -0.059 4.681 4.740 0.000 0.000 0.181 446 N C 1.624 177.165 175.510 0.052 0.000 1.046 446 N CA 1.677 54.807 53.050 0.134 0.000 0.904 446 N CB -0.091 38.463 38.487 0.112 0.000 0.964 446 N HN 0.831 nan 8.380 nan 0.000 0.444 447 K N -1.266 119.093 120.400 -0.067 0.000 2.352 447 K HA 0.210 4.530 4.320 0.000 0.000 0.194 447 K C -0.040 176.499 176.600 -0.102 0.000 1.038 447 K CA 0.106 56.364 56.287 -0.048 0.000 1.023 447 K CB 0.161 32.643 32.500 -0.031 0.000 0.840 447 K HN 0.165 nan 8.250 nan 0.000 0.519 448 C N 1.959 121.122 119.300 -0.228 0.000 3.335 448 C HA 0.767 5.227 4.460 0.000 0.000 0.217 448 C C -0.892 173.907 174.990 -0.319 0.000 1.330 448 C CA -0.299 58.595 59.018 -0.206 0.000 1.470 448 C CB -0.651 27.021 27.740 -0.113 0.000 1.806 448 C HN 0.445 nan 8.230 nan 0.000 0.468 449 A N 2.581 125.225 122.820 -0.294 0.000 2.562 449 A HA 0.698 5.018 4.320 0.000 0.000 0.297 449 A C -0.224 177.425 177.584 0.109 0.000 1.100 449 A CA 0.390 52.373 52.037 -0.090 0.000 0.914 449 A CB -0.067 18.864 19.000 -0.114 0.000 1.490 449 A HN 1.197 nan 8.150 nan 0.000 0.391 450 G N -0.099 108.733 108.800 0.053 0.000 2.788 450 G HA2 0.695 4.655 3.960 0.000 0.000 0.293 450 G HA3 0.695 4.655 3.960 0.000 0.000 0.293 450 G C -1.416 173.501 174.900 0.028 0.000 1.305 450 G CA -0.780 44.347 45.100 0.046 0.000 1.005 450 G HN 0.718 nan 8.290 nan 0.000 0.496 451 L N 0.980 122.207 121.223 0.008 0.000 2.489 451 L HA 0.314 4.654 4.340 0.000 0.000 0.257 451 L C -0.201 176.642 176.870 -0.045 0.000 1.215 451 L CA -0.733 54.099 54.840 -0.013 0.000 0.915 451 L CB 1.078 43.129 42.059 -0.013 0.000 1.146 451 L HN 0.507 nan 8.230 nan 0.000 0.494 452 N N 0.447 119.130 118.700 -0.029 0.000 2.468 452 N HA 0.078 4.818 4.740 0.000 0.000 0.265 452 N C 1.300 176.741 175.510 -0.115 0.000 1.199 452 N CA 0.263 53.279 53.050 -0.056 0.000 0.928 452 N CB 1.438 39.955 38.487 0.049 0.000 1.059 452 N HN 0.366 nan 8.380 nan 0.000 0.467 453 V N 3.559 123.285 119.914 -0.313 0.000 2.453 453 V HA -0.084 4.036 4.120 0.000 0.000 0.247 453 V C 1.485 177.474 176.094 -0.176 0.000 1.048 453 V CA 1.368 63.487 62.300 -0.301 0.000 1.049 453 V CB -1.039 30.495 31.823 -0.482 0.000 0.672 453 V HN 0.534 nan 8.190 nan 0.000 0.457 454 F N 1.717 121.668 119.950 0.002 0.000 2.069 454 F HA -0.074 4.453 4.527 0.000 0.000 0.298 454 F C 2.771 178.572 175.800 0.002 0.000 1.113 454 F CA 2.326 60.327 58.000 0.002 0.000 1.214 454 F CB -1.592 37.409 39.000 0.002 0.000 0.978 454 F HN 0.142 nan 8.300 nan 0.000 0.474 455 T N -1.647 113.034 114.554 0.212 0.000 3.031 455 T HA 0.306 4.656 4.350 0.000 0.000 0.254 455 T C 0.827 175.565 174.700 0.064 0.000 1.060 455 T CA 0.936 63.102 62.100 0.111 0.000 1.135 455 T CB -0.536 68.388 68.868 0.093 0.000 0.896 455 T HN 0.496 nan 8.240 nan 0.000 0.472 456 G N 1.474 110.303 108.800 0.049 0.000 2.905 456 G HA2 0.358 4.318 3.960 0.000 0.000 0.245 456 G HA3 0.358 4.318 3.960 0.000 0.000 0.245 456 G C -0.196 174.716 174.900 0.020 0.000 1.004 456 G CA -0.381 44.732 45.100 0.021 0.000 1.089 456 G HN 1.018 nan 8.290 nan 0.000 0.456 457 A N 0.612 123.442 122.820 0.016 0.000 2.519 457 A HA 0.849 5.169 4.320 0.000 0.000 0.298 457 A C -0.128 177.466 177.584 0.016 0.000 0.963 457 A CA 0.271 52.318 52.037 0.016 0.000 0.624 457 A CB 0.474 19.486 19.000 0.021 0.000 1.356 457 A HN 2.245 nan 8.150 nan 0.000 0.441 458 V N -0.040 119.883 119.914 0.015 0.000 2.953 458 V HA 0.787 4.907 4.120 0.000 0.000 0.304 458 V C -0.039 176.063 176.094 0.012 0.000 1.073 458 V CA 0.702 63.012 62.300 0.016 0.000 1.064 458 V CB 1.489 33.324 31.823 0.020 0.000 1.047 458 V HN 1.403 nan 8.190 nan 0.000 0.478 459 E N 2.903 123.107 120.200 0.006 0.000 2.506 459 E HA 0.205 4.555 4.350 0.000 0.000 0.308 459 E C -1.367 175.229 176.600 -0.008 0.000 0.931 459 E CA -0.490 55.915 56.400 0.008 0.000 0.800 459 E CB 1.095 30.809 29.700 0.023 0.000 1.292 459 E HN 0.737 nan 8.360 nan 0.000 0.401 460 D N 6.317 126.707 120.400 -0.016 0.000 2.426 460 D HA -0.040 4.600 4.640 0.000 0.000 0.271 460 D C 1.149 177.444 176.300 -0.008 0.000 1.376 460 D CA 0.312 54.297 54.000 -0.026 0.000 1.149 460 D CB 0.341 41.129 40.800 -0.021 0.000 1.118 460 D HN 0.499 nan 8.370 nan 0.000 0.529 461 M N 1.718 121.314 119.600 -0.006 0.000 2.255 461 M HA -0.285 4.195 4.480 0.000 0.000 0.260 461 M C 2.548 178.855 176.300 0.011 0.000 1.069 461 M CA 1.079 56.385 55.300 0.010 0.000 1.089 461 M CB -1.499 31.113 32.600 0.020 0.000 1.269 461 M HN 0.538 nan 8.290 nan 0.000 0.434 462 C N 0.188 119.490 119.300 0.003 0.000 2.433 462 C HA -0.260 4.200 4.460 0.000 0.000 0.253 462 C C 2.470 177.459 174.990 -0.000 0.000 1.033 462 C CA 1.892 60.909 59.018 -0.001 0.000 1.934 462 C CB -1.248 26.489 27.740 -0.006 0.000 2.333 462 C HN 0.577 nan 8.230 nan 0.000 0.443 463 E N -1.626 118.573 120.200 -0.001 0.000 2.460 463 E HA 0.018 4.368 4.350 0.000 0.000 0.200 463 E C 1.472 178.076 176.600 0.006 0.000 1.011 463 E CA 0.101 56.500 56.400 -0.001 0.000 0.912 463 E CB -0.011 29.686 29.700 -0.006 0.000 0.953 463 E HN 0.731 nan 8.360 nan 0.000 0.494 464 N N -0.338 118.370 118.700 0.013 0.000 2.220 464 N HA -0.004 4.737 4.740 0.000 0.000 0.182 464 N C 1.221 176.743 175.510 0.019 0.000 1.023 464 N CA 1.184 54.247 53.050 0.021 0.000 0.856 464 N CB 0.528 39.038 38.487 0.038 0.000 0.997 464 N HN 0.181 nan 8.380 nan 0.000 0.429 465 G N -0.418 108.394 108.800 0.020 0.000 2.229 465 G HA2 -0.230 3.730 3.960 0.000 0.000 0.189 465 G HA3 -0.230 3.730 3.960 0.000 0.000 0.189 465 G C -0.015 174.900 174.900 0.025 0.000 1.000 465 G CA 0.089 45.200 45.100 0.018 0.000 0.663 465 G HN 0.289 nan 8.290 nan 0.000 0.493 466 V N 0.122 120.056 119.914 0.034 0.000 2.324 466 V HA 0.650 4.770 4.120 0.000 0.000 0.244 466 V C 0.369 176.479 176.094 0.026 0.000 1.144 466 V CA -0.486 61.836 62.300 0.036 0.000 1.158 466 V CB 0.228 32.083 31.823 0.053 0.000 1.254 466 V HN 0.678 nan 8.190 nan 0.000 0.492 467 V N 3.768 123.694 119.914 0.021 0.000 3.147 467 V HA 0.603 4.723 4.120 0.000 0.000 0.306 467 V C -0.240 175.863 176.094 0.014 0.000 1.209 467 V CA -0.915 61.395 62.300 0.018 0.000 1.023 467 V CB 2.324 34.156 31.823 0.015 0.000 1.059 467 V HN 0.881 nan 8.190 nan 0.000 0.435 468 E N 2.094 122.302 120.200 0.013 0.000 2.249 468 E HA 0.634 4.984 4.350 0.000 0.000 0.263 468 E C -2.832 173.773 176.600 0.008 0.000 0.950 468 E CA -2.066 54.340 56.400 0.010 0.000 0.827 468 E CB 1.871 31.576 29.700 0.008 0.000 1.220 468 E HN 0.304 nan 8.360 nan 0.000 0.411 469 P HA 0.025 nan 4.420 nan 0.000 0.312 469 P C 0.209 177.511 177.300 0.004 0.000 1.307 469 P CA -0.416 62.687 63.100 0.004 0.000 0.738 469 P CB 0.453 32.154 31.700 0.002 0.000 1.422 470 L N -0.756 120.469 121.223 0.002 0.000 2.609 470 L HA 0.188 4.528 4.340 0.000 0.000 0.230 470 L C 2.176 179.046 176.870 0.000 0.000 1.064 470 L CA 0.986 55.827 54.840 0.001 0.000 0.873 470 L CB -1.246 40.813 42.059 0.001 0.000 1.139 470 L HN 0.252 nan 8.230 nan 0.000 0.490 471 R N 1.053 121.553 120.500 -0.000 0.000 2.113 471 R HA -0.161 4.180 4.340 0.000 0.000 0.231 471 R C 1.599 177.899 176.300 -0.001 0.000 1.129 471 R CA 2.305 58.404 56.100 -0.001 0.000 0.915 471 R CB -0.801 29.498 30.300 -0.002 0.000 0.837 471 R HN 0.070 nan 8.270 nan 0.000 0.430 472 V N 1.578 121.492 119.914 -0.001 0.000 2.401 472 V HA -0.455 3.665 4.120 0.000 0.000 0.187 472 V C 2.397 178.491 176.094 -0.000 0.000 0.887 472 V CA 2.937 65.237 62.300 -0.000 0.000 1.374 472 V CB -1.082 30.741 31.823 0.001 0.000 0.921 472 V HN 0.437 nan 8.190 nan 0.000 0.491 473 K N 0.164 120.563 120.400 -0.000 0.000 2.062 473 K HA -0.120 4.200 4.320 0.000 0.000 0.205 473 K C 2.405 179.005 176.600 0.000 0.000 1.051 473 K CA 2.013 58.299 56.287 -0.001 0.000 0.941 473 K CB -1.004 31.496 32.500 -0.001 0.000 0.719 473 K HN 1.011 nan 8.250 nan 0.000 0.440 474 T N -0.403 114.151 114.554 -0.001 0.000 2.620 474 T HA -0.296 4.054 4.350 0.000 0.000 0.267 474 T C 1.997 176.698 174.700 0.001 0.000 1.044 474 T CA 2.045 64.144 62.100 -0.002 0.000 1.161 474 T CB -0.313 68.553 68.868 -0.004 0.000 0.862 474 T HN 0.174 nan 8.240 nan 0.000 0.438 475 Q N 1.257 121.059 119.800 0.002 0.000 2.250 475 Q HA 0.412 4.752 4.340 0.000 0.000 0.200 475 Q C 2.301 178.305 176.000 0.007 0.000 0.941 475 Q CA 1.234 57.040 55.803 0.004 0.000 0.872 475 Q CB -0.703 28.036 28.738 0.002 0.000 0.965 475 Q HN 0.683 nan 8.270 nan 0.000 0.480 476 A N 0.181 123.004 122.820 0.006 0.000 1.968 476 A HA 0.016 4.336 4.320 0.000 0.000 0.217 476 A C 1.952 179.545 177.584 0.014 0.000 1.169 476 A CA 0.985 53.026 52.037 0.007 0.000 0.638 476 A CB -0.402 18.599 19.000 0.001 0.000 0.812 476 A HN 0.460 nan 8.150 nan 0.000 0.446 477 I N -0.579 120.003 120.570 0.019 0.000 2.584 477 I HA -0.212 3.958 4.170 0.000 0.000 0.255 477 I C 2.552 178.701 176.117 0.053 0.000 1.145 477 I CA 0.867 62.190 61.300 0.039 0.000 1.462 477 I CB -0.377 37.648 38.000 0.041 0.000 1.102 477 I HN 0.468 nan 8.210 nan 0.000 0.433 478 Q N 1.008 120.826 119.800 0.031 0.000 1.941 478 Q HA -0.165 4.175 4.340 0.000 0.000 0.201 478 Q C 2.300 178.320 176.000 0.032 0.000 0.982 478 Q CA 2.030 57.849 55.803 0.027 0.000 0.839 478 Q CB -0.592 28.152 28.738 0.010 0.000 0.904 478 Q HN 0.464 nan 8.270 nan 0.000 0.427 479 S N 0.940 116.653 115.700 0.023 0.000 2.421 479 S HA -0.287 4.183 4.470 0.000 0.000 0.239 479 S C 1.960 176.578 174.600 0.030 0.000 1.054 479 S CA 1.365 59.579 58.200 0.022 0.000 1.035 479 S CB -0.506 62.703 63.200 0.015 0.000 0.840 479 S HN 0.455 nan 8.310 nan 0.000 0.475 480 A N 0.760 123.603 122.820 0.038 0.000 2.063 480 A HA 0.746 5.066 4.320 0.000 0.000 0.211 480 A C 2.336 179.964 177.584 0.074 0.000 1.177 480 A CA 0.788 52.849 52.037 0.041 0.000 0.759 480 A CB -0.816 18.200 19.000 0.026 0.000 0.857 480 A HN 0.792 nan 8.150 nan 0.000 0.468 481 A N -0.065 122.821 122.820 0.109 0.000 1.930 481 A HA 0.008 4.328 4.320 0.000 0.000 0.215 481 A C 1.718 179.399 177.584 0.163 0.000 1.176 481 A CA 1.259 53.418 52.037 0.203 0.000 0.632 481 A CB -0.220 18.921 19.000 0.235 0.000 0.819 481 A HN 0.481 nan 8.150 nan 0.000 0.445 482 E N -0.443 119.813 120.200 0.094 0.000 2.474 482 E HA 0.094 4.444 4.350 0.000 0.000 0.195 482 E C 1.497 178.129 176.600 0.054 0.000 1.039 482 E CA 0.095 56.537 56.400 0.070 0.000 0.881 482 E CB 0.259 29.985 29.700 0.043 0.000 0.970 482 E HN 0.484 nan 8.360 nan 0.000 0.486 483 S N 0.730 116.461 115.700 0.053 0.000 2.329 483 S HA -0.112 4.358 4.470 0.000 0.000 0.215 483 S C 2.169 176.795 174.600 0.044 0.000 1.031 483 S CA 1.758 59.982 58.200 0.040 0.000 0.985 483 S CB -0.115 63.101 63.200 0.027 0.000 0.917 483 S HN 0.454 nan 8.310 nan 0.000 0.441 484 T N 0.713 115.302 114.554 0.059 0.000 3.194 484 T HA 0.104 4.454 4.350 0.000 0.000 0.251 484 T C 1.134 175.887 174.700 0.087 0.000 1.132 484 T CA 0.894 63.031 62.100 0.061 0.000 1.028 484 T CB -0.286 68.612 68.868 0.049 0.000 0.976 484 T HN 0.697 nan 8.240 nan 0.000 0.535 485 E N 0.834 121.096 120.200 0.104 0.000 2.389 485 E HA 0.094 4.444 4.350 0.000 0.000 0.199 485 E C 2.231 178.852 176.600 0.036 0.000 0.978 485 E CA 0.047 56.496 56.400 0.083 0.000 0.912 485 E CB -0.377 29.401 29.700 0.130 0.000 0.907 485 E HN 0.602 nan 8.360 nan 0.000 0.494 486 M N 2.133 121.754 119.600 0.035 0.000 2.067 486 M HA -0.126 4.354 4.480 0.000 0.000 0.260 486 M C 2.061 178.366 176.300 0.009 0.000 1.069 486 M CA 1.760 57.071 55.300 0.018 0.000 1.117 486 M CB -0.562 32.047 32.600 0.016 0.000 1.334 486 M HN 0.250 nan 8.290 nan 0.000 0.407 487 L N 0.150 121.380 121.223 0.012 0.000 2.349 487 L HA -0.084 4.256 4.340 0.000 0.000 0.220 487 L C 2.333 179.203 176.870 0.001 0.000 1.130 487 L CA 0.993 55.836 54.840 0.005 0.000 0.791 487 L CB -1.681 40.377 42.059 -0.001 0.000 0.918 487 L HN 0.415 nan 8.230 nan 0.000 0.444 488 L N 1.721 122.944 121.223 -0.000 0.000 2.131 488 L HA -0.126 4.214 4.340 0.000 0.000 0.210 488 L C 2.519 179.369 176.870 -0.032 0.000 1.092 488 L CA 2.011 56.839 54.840 -0.020 0.000 0.759 488 L CB -0.746 41.293 42.059 -0.034 0.000 0.903 488 L HN 0.627 nan 8.230 nan 0.000 0.435 489 R N -0.868 119.618 120.500 -0.024 0.000 2.334 489 R HA 0.238 4.578 4.340 0.000 0.000 0.216 489 R C 0.583 176.876 176.300 -0.012 0.000 0.905 489 R CA 0.037 56.121 56.100 -0.027 0.000 1.064 489 R CB -0.740 29.537 30.300 -0.039 0.000 1.046 489 R HN 0.182 nan 8.270 nan 0.000 0.508 490 I N 2.886 123.453 120.570 -0.005 0.000 2.519 490 I HA 0.094 4.264 4.170 0.000 0.000 0.287 490 I C 0.068 176.191 176.117 0.009 0.000 1.047 490 I CA 0.283 61.585 61.300 0.003 0.000 1.381 490 I CB 1.185 39.185 38.000 0.001 0.000 1.417 490 I HN 0.419 nan 8.210 nan 0.000 0.540 491 D N 3.491 123.904 120.400 0.021 0.000 2.783 491 D HA 0.119 4.759 4.640 0.000 0.000 0.306 491 D C -0.690 175.639 176.300 0.049 0.000 1.633 491 D CA -0.239 53.779 54.000 0.030 0.000 0.796 491 D CB 0.230 41.039 40.800 0.015 0.000 1.230 491 D HN 0.611 nan 8.370 nan 0.000 0.441 492 D N -0.155 120.275 120.400 0.050 0.000 2.937 492 D HA 0.353 4.994 4.640 0.000 0.000 0.215 492 D C -1.564 174.770 176.300 0.057 0.000 1.274 492 D CA -0.549 53.485 54.000 0.055 0.000 0.869 492 D CB 2.179 43.001 40.800 0.037 0.000 1.675 492 D HN -0.109 nan 8.370 nan 0.000 0.538 493 V N 4.076 124.036 119.914 0.077 0.000 2.443 493 V HA 0.378 4.498 4.120 0.000 0.000 0.272 493 V C 0.066 176.169 176.094 0.015 0.000 1.002 493 V CA -0.723 61.623 62.300 0.075 0.000 0.840 493 V CB 0.822 32.731 31.823 0.143 0.000 1.042 493 V HN 0.542 nan 8.190 nan 0.000 0.446 494 I N 3.436 124.000 120.570 -0.011 0.000 2.337 494 I HA 0.712 4.882 4.170 0.000 0.000 0.291 494 I C 0.629 176.730 176.117 -0.027 0.000 1.046 494 I CA -0.091 61.183 61.300 -0.043 0.000 1.324 494 I CB 1.276 39.257 38.000 -0.032 0.000 1.409 494 I HN 0.631 nan 8.210 nan 0.000 0.494 495 A N 5.589 128.384 122.820 -0.042 0.000 2.330 495 A HA 0.912 5.232 4.320 0.000 0.000 0.327 495 A C -0.443 177.131 177.584 -0.016 0.000 1.155 495 A CA -0.513 51.516 52.037 -0.015 0.000 0.803 495 A CB 1.504 20.520 19.000 0.026 0.000 1.208 495 A HN 0.846 nan 8.150 nan 0.000 0.477 496 A N 1.817 124.636 122.820 -0.001 0.000 2.393 496 A HA 0.695 5.015 4.320 0.000 0.000 0.306 496 A C -0.112 177.479 177.584 0.011 0.000 1.050 496 A CA -0.526 51.513 52.037 0.003 0.000 0.724 496 A CB 0.771 19.769 19.000 -0.004 0.000 1.248 496 A HN 0.918 nan 8.150 nan 0.000 0.424 497 E N 0.000 120.206 120.200 0.011 0.000 2.725 497 E HA 0.000 4.350 4.350 0.000 0.000 0.291 497 E CA 0.000 56.407 56.400 0.013 0.000 0.976 497 E CB 0.000 29.706 29.700 0.010 0.000 0.812 497 E HN 0.000 nan 8.360 nan 0.000 0.440