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 1dpm_1_B DATA FIRST_RESID 35 DATA SEQUENCE ARINTVRGPI TISEAGFTLT HEHICGSSAG FLRAWPEFFG SRKALAEKAV DATA SEQUENCE RGLRRARAAG VRTIVDVSTF DIGRDVSLLA EVSRAADVHI VAATGLWFDP DATA SEQUENCE PLSMRLRSVE ELTQFFLREI QYGIEDTGIR AGIIKVATTG KATPFQELVL DATA SEQUENCE KAAARASLAT GVPVTTHTAA SQRDGEQQAA IFESEGLSPS RVCIGHSDDT DATA SEQUENCE DDLSYLTALA ARGYLIGLDH IPHSAIGLED NASASALLGI RSWQTRALLI DATA SEQUENCE KALIDQGYMK QILVSNDWLF GFSSYVTNIM DVMDRVNPDG MAFIPLRVIP DATA SEQUENCE FLREKGVPQE TLAGITVTNP ARFLSPTLR 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 35 A HA 0.000 nan 4.320 nan 0.000 0.244 35 A C 0.000 177.561 177.584 -0.039 0.000 1.274 35 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 35 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 36 R N -0.542 119.931 120.500 -0.046 0.000 2.807 36 R HA 0.805 5.145 4.340 0.001 0.000 0.276 36 R C -1.491 174.769 176.300 -0.066 0.000 0.979 36 R CA -0.399 55.668 56.100 -0.055 0.000 0.928 36 R CB 2.110 32.379 30.300 -0.052 0.000 1.191 36 R HN 0.342 nan 8.270 nan 0.000 0.471 37 I N 1.700 122.223 120.570 -0.077 0.000 2.433 37 I HA 0.281 4.452 4.170 0.001 0.000 0.292 37 I C -0.591 175.473 176.117 -0.088 0.000 1.001 37 I CA -0.974 60.275 61.300 -0.085 0.000 1.119 37 I CB 1.899 39.846 38.000 -0.088 0.000 1.289 37 I HN 0.395 nan 8.210 nan 0.000 0.438 38 N N 4.416 123.069 118.700 -0.079 0.000 2.442 38 N HA 0.232 4.973 4.740 0.001 0.000 0.265 38 N C -0.182 175.290 175.510 -0.064 0.000 1.138 38 N CA -0.019 52.989 53.050 -0.070 0.000 0.956 38 N CB 1.267 39.716 38.487 -0.064 0.000 1.067 38 N HN 0.676 nan 8.380 nan 0.000 0.474 39 T N -3.015 111.504 114.554 -0.058 0.000 2.940 39 T HA 0.319 4.670 4.350 0.001 0.000 0.288 39 T C 1.329 176.019 174.700 -0.016 0.000 1.045 39 T CA -0.848 61.232 62.100 -0.034 0.000 1.018 39 T CB 0.876 69.724 68.868 -0.034 0.000 1.151 39 T HN 0.122 nan 8.240 nan 0.000 0.529 40 V N -0.936 118.980 119.914 0.004 0.000 3.305 40 V HA 0.236 4.357 4.120 0.001 0.000 0.269 40 V C 1.675 177.773 176.094 0.007 0.000 1.157 40 V CA 0.738 63.040 62.300 0.003 0.000 1.157 40 V CB -1.278 30.551 31.823 0.011 0.000 0.772 40 V HN 0.841 nan 8.190 nan 0.000 0.498 41 R N 0.603 121.114 120.500 0.017 0.000 2.472 41 R HA 0.550 4.891 4.340 0.001 0.000 0.279 41 R C 0.819 177.120 176.300 0.002 0.000 0.953 41 R CA 0.490 56.602 56.100 0.020 0.000 1.088 41 R CB 0.990 31.321 30.300 0.052 0.000 1.197 41 R HN 0.707 nan 8.270 nan 0.000 0.536 42 G N 1.531 110.321 108.800 -0.016 0.000 2.353 42 G HA2 -0.118 3.843 3.960 0.001 0.000 0.615 42 G HA3 -0.118 3.843 3.960 0.001 0.000 0.615 42 G C -3.171 171.699 174.900 -0.050 0.000 1.280 42 G CA -1.237 43.845 45.100 -0.030 0.000 1.000 42 G HN -0.147 nan 8.290 nan 0.000 0.516 43 P HA 0.630 nan 4.420 nan 0.000 0.288 43 P C -0.032 177.215 177.300 -0.088 0.000 1.267 43 P CA -0.420 62.638 63.100 -0.071 0.000 0.815 43 P CB 1.192 32.858 31.700 -0.056 0.000 0.989 44 I N -1.144 119.352 120.570 -0.125 0.000 3.002 44 I HA 0.674 4.844 4.170 0.001 0.000 0.310 44 I C 0.017 176.071 176.117 -0.105 0.000 1.087 44 I CA -1.048 60.164 61.300 -0.147 0.000 1.017 44 I CB 2.296 40.108 38.000 -0.313 0.000 1.226 44 I HN 0.232 nan 8.210 nan 0.000 0.443 45 T N 0.398 114.906 114.554 -0.077 0.000 2.874 45 T HA 0.371 4.721 4.350 0.001 0.000 0.281 45 T C 1.417 176.087 174.700 -0.051 0.000 0.994 45 T CA -0.787 61.282 62.100 -0.052 0.000 1.015 45 T CB 1.221 70.071 68.868 -0.030 0.000 1.028 45 T HN 0.524 nan 8.240 nan 0.000 0.523 46 I N 1.483 122.032 120.570 -0.036 0.000 2.194 46 I HA -0.209 3.961 4.170 0.001 0.000 0.246 46 I C 2.849 178.962 176.117 -0.007 0.000 1.093 46 I CA 2.032 63.317 61.300 -0.023 0.000 1.355 46 I CB -2.105 35.884 38.000 -0.018 0.000 1.046 46 I HN 0.897 nan 8.210 nan 0.000 0.413 47 S N 0.282 115.980 115.700 -0.002 0.000 2.442 47 S HA -0.172 4.299 4.470 0.001 0.000 0.236 47 S C 1.761 176.378 174.600 0.029 0.000 1.007 47 S CA 0.995 59.202 58.200 0.013 0.000 0.965 47 S CB -0.482 62.724 63.200 0.010 0.000 0.773 47 S HN 0.527 nan 8.310 nan 0.000 0.504 48 E N 1.064 121.275 120.200 0.019 0.000 2.371 48 E HA 0.204 4.555 4.350 0.001 0.000 0.194 48 E C 2.188 178.848 176.600 0.101 0.000 1.012 48 E CA 0.499 56.933 56.400 0.057 0.000 0.860 48 E CB -0.254 29.450 29.700 0.007 0.000 0.811 48 E HN 0.688 nan 8.360 nan 0.000 0.502 49 A N 1.189 124.038 122.820 0.048 0.000 1.908 49 A HA -0.007 4.314 4.320 0.001 0.000 0.218 49 A C 1.597 179.281 177.584 0.167 0.000 1.181 49 A CA 1.535 53.630 52.037 0.097 0.000 0.627 49 A CB -1.154 17.875 19.000 0.047 0.000 0.818 49 A HN 0.393 nan 8.150 nan 0.000 0.445 50 G N -1.487 107.391 108.800 0.129 0.000 2.575 50 G HA2 -0.226 3.735 3.960 0.001 0.000 0.267 50 G HA3 -0.226 3.735 3.960 0.001 0.000 0.267 50 G C 0.003 175.025 174.900 0.203 0.000 1.264 50 G CA 0.063 45.254 45.100 0.151 0.000 0.935 50 G HN 1.212 nan 8.290 nan 0.000 0.568 51 F N 2.923 122.901 119.950 0.046 0.000 2.571 51 F HA 0.499 5.027 4.527 0.001 0.000 0.390 51 F C 0.887 176.719 175.800 0.053 0.000 1.043 51 F CA 0.456 58.481 58.000 0.041 0.000 1.164 51 F CB -0.113 38.904 39.000 0.029 0.000 1.049 51 F HN 0.473 nan 8.300 nan 0.000 0.552 52 T N 7.883 122.714 114.554 0.461 0.000 2.841 52 T HA 0.471 4.821 4.350 0.001 0.000 0.283 52 T C -0.288 174.602 174.700 0.316 0.000 1.000 52 T CA -0.637 61.656 62.100 0.320 0.000 0.977 52 T CB 1.298 70.276 68.868 0.184 0.000 0.979 52 T HN 0.391 nan 8.240 nan 0.000 0.446 53 L N 3.583 124.957 121.223 0.251 0.000 2.259 53 L HA 0.279 4.619 4.340 0.001 0.000 0.288 53 L C 1.844 178.806 176.870 0.154 0.000 1.051 53 L CA -0.543 54.422 54.840 0.208 0.000 0.824 53 L CB 0.989 43.149 42.059 0.168 0.000 1.206 53 L HN 0.892 nan 8.230 nan 0.000 0.429 54 T N -1.707 112.934 114.554 0.146 0.000 3.118 54 T HA -0.105 4.246 4.350 0.001 0.000 0.260 54 T C 0.547 175.329 174.700 0.137 0.000 1.139 54 T CA 0.648 62.829 62.100 0.134 0.000 1.085 54 T CB -0.300 68.635 68.868 0.111 0.000 0.934 54 T HN 0.620 nan 8.240 nan 0.000 0.518 55 H N 0.271 119.353 119.070 0.021 0.000 3.198 55 H HA 0.433 4.990 4.556 0.001 0.000 0.317 55 H C -1.057 174.234 175.328 -0.062 0.000 1.178 55 H CA -0.629 55.399 56.048 -0.034 0.000 1.609 55 H CB 0.652 30.411 29.762 -0.006 0.000 1.819 55 H HN 0.053 nan 8.280 nan 0.000 0.533 56 E N 2.426 122.594 120.200 -0.054 0.000 2.446 56 E HA 0.385 4.736 4.350 0.001 0.000 0.269 56 E C -0.928 175.395 176.600 -0.462 0.000 0.977 56 E CA -0.941 55.424 56.400 -0.058 0.000 0.854 56 E CB 2.181 31.903 29.700 0.036 0.000 1.545 56 E HN 0.589 nan 8.360 nan 0.000 0.448 57 H N 0.336 119.385 119.070 -0.035 0.000 3.029 57 H HA 0.263 4.820 4.556 0.001 0.000 0.358 57 H C 0.792 176.051 175.328 -0.116 0.000 1.129 57 H CA -0.505 55.473 56.048 -0.117 0.000 1.230 57 H CB 1.695 31.325 29.762 -0.220 0.000 1.827 57 H HN 0.262 nan 8.280 nan 0.000 0.530 58 I N 0.659 121.287 120.570 0.096 0.000 2.277 58 I HA -0.082 4.089 4.170 0.001 0.000 0.243 58 I C 1.201 177.381 176.117 0.105 0.000 1.094 58 I CA 1.111 62.531 61.300 0.200 0.000 1.393 58 I CB -0.001 38.096 38.000 0.162 0.000 1.078 58 I HN 0.390 nan 8.210 nan 0.000 0.417 59 C N 0.220 119.513 119.300 -0.013 0.000 2.783 59 C HA 0.762 5.223 4.460 0.001 0.000 0.312 59 C C 0.230 175.105 174.990 -0.192 0.000 1.182 59 C CA -0.545 58.409 59.018 -0.107 0.000 1.432 59 C CB 0.799 28.434 27.740 -0.176 0.000 1.933 59 C HN 0.510 nan 8.230 nan 0.000 0.473 60 G N 3.434 112.084 108.800 -0.250 0.000 2.468 60 G HA2 0.562 4.523 3.960 0.001 0.000 0.320 60 G HA3 0.562 4.523 3.960 0.001 0.000 0.320 60 G C -0.253 174.587 174.900 -0.100 0.000 1.137 60 G CA 0.243 45.110 45.100 -0.388 0.000 0.984 60 G HN 1.020 nan 8.290 nan 0.000 0.462 61 S N 1.322 116.926 115.700 -0.160 0.000 4.205 61 S HA 0.843 5.314 4.470 0.001 0.000 0.268 61 S C -0.170 174.334 174.600 -0.161 0.000 1.082 61 S CA -0.322 57.818 58.200 -0.100 0.000 1.431 61 S CB 1.166 64.410 63.200 0.073 0.000 1.370 61 S HN 0.556 nan 8.310 nan 0.000 0.740 62 S N 0.440 116.073 115.700 -0.111 0.000 2.564 62 S HA 0.763 5.234 4.470 0.001 0.000 0.274 62 S C -0.796 173.780 174.600 -0.040 0.000 1.124 62 S CA -0.218 57.937 58.200 -0.075 0.000 0.869 62 S CB 1.488 64.639 63.200 -0.081 0.000 1.105 62 S HN 1.047 nan 8.310 nan 0.000 0.472 63 A N 0.819 123.527 122.820 -0.187 0.000 2.567 63 A HA 0.458 4.778 4.320 0.001 0.000 0.240 63 A C 1.580 179.121 177.584 -0.071 0.000 1.053 63 A CA 0.830 52.667 52.037 -0.333 0.000 0.755 63 A CB -1.239 17.303 19.000 -0.762 0.000 0.978 63 A HN 2.067 nan 8.150 nan 0.000 0.507 64 G N 1.554 110.349 108.800 -0.010 0.000 2.245 64 G HA2 -0.392 3.568 3.960 0.001 0.000 0.264 64 G HA3 -0.392 3.568 3.960 0.001 0.000 0.264 64 G C 0.905 175.892 174.900 0.146 0.000 0.985 64 G CA 1.129 46.274 45.100 0.076 0.000 0.625 64 G HN 1.262 nan 8.290 nan 0.000 0.536 65 F N 0.756 120.738 119.950 0.052 0.000 2.069 65 F HA 0.099 4.627 4.527 0.002 0.000 0.298 65 F C 2.462 178.388 175.800 0.210 0.000 1.113 65 F CA 2.296 60.370 58.000 0.124 0.000 1.214 65 F CB -0.293 38.758 39.000 0.084 0.000 0.978 65 F HN 0.219 nan 8.300 nan 0.000 0.474 66 L N 0.699 122.131 121.223 0.348 0.000 2.127 66 L HA -0.159 4.182 4.340 0.001 0.000 0.211 66 L C 2.306 179.246 176.870 0.117 0.000 1.089 66 L CA 1.751 56.745 54.840 0.255 0.000 0.757 66 L CB -0.798 41.330 42.059 0.115 0.000 0.899 66 L HN 0.102 nan 8.230 nan 0.000 0.434 67 R N -1.633 118.915 120.500 0.079 0.000 2.210 67 R HA 0.134 4.475 4.340 0.001 0.000 0.203 67 R C 1.944 178.263 176.300 0.032 0.000 1.010 67 R CA 0.751 56.884 56.100 0.056 0.000 1.008 67 R CB -0.027 30.305 30.300 0.052 0.000 0.923 67 R HN 0.463 nan 8.270 nan 0.000 0.469 68 A N -0.798 122.020 122.820 -0.003 0.000 2.044 68 A HA -0.037 4.284 4.320 0.001 0.000 0.213 68 A C 0.508 178.075 177.584 -0.027 0.000 1.169 68 A CA 0.286 52.302 52.037 -0.035 0.000 0.724 68 A CB 0.176 19.143 19.000 -0.054 0.000 0.840 68 A HN 0.405 nan 8.150 nan 0.000 0.463 69 W N 1.035 122.124 121.300 -0.351 0.000 1.290 69 W HA 0.358 5.018 4.660 0.000 0.000 0.304 69 W C -2.541 173.892 176.519 -0.144 0.000 0.858 69 W CA -2.227 54.908 57.345 -0.349 0.000 1.894 69 W CB 0.931 29.953 29.460 -0.729 0.000 1.934 69 W HN 0.149 nan 8.180 nan 0.000 0.472 70 P HA -0.213 nan 4.420 nan 0.000 0.219 70 P C 0.840 178.326 177.300 0.310 0.000 1.146 70 P CA 1.866 65.155 63.100 0.315 0.000 0.808 70 P CB 0.447 32.266 31.700 0.200 0.000 0.779 71 E N -1.001 119.360 120.200 0.269 0.000 2.338 71 E HA -0.112 4.239 4.350 0.001 0.000 0.197 71 E C 1.617 178.214 176.600 -0.005 0.000 1.007 71 E CA 0.434 56.940 56.400 0.177 0.000 0.849 71 E CB -1.262 28.566 29.700 0.213 0.000 0.774 71 E HN 0.273 nan 8.360 nan 0.000 0.506 72 F N -0.110 119.581 119.950 -0.431 0.000 2.202 72 F HA -0.145 4.383 4.527 0.001 0.000 0.301 72 F C 0.881 176.313 175.800 -0.612 0.000 1.082 72 F CA 1.101 58.593 58.000 -0.847 0.000 1.313 72 F CB 0.089 38.286 39.000 -1.340 0.000 1.024 72 F HN -0.035 nan 8.300 nan 0.000 0.495 73 F N 0.020 119.986 119.950 0.027 0.000 2.639 73 F HA 0.382 4.909 4.527 0.000 0.000 0.300 73 F C 1.626 177.411 175.800 -0.025 0.000 1.109 73 F CA 0.414 58.425 58.000 0.017 0.000 1.335 73 F CB 0.184 39.265 39.000 0.136 0.000 1.014 73 F HN 0.153 nan 8.300 nan 0.000 0.537 74 G N 0.500 109.334 108.800 0.057 0.000 3.757 74 G HA2 -0.245 3.716 3.960 0.001 0.000 0.215 74 G HA3 -0.245 3.716 3.960 0.001 0.000 0.215 74 G C 0.322 175.278 174.900 0.094 0.000 1.411 74 G CA 0.186 45.314 45.100 0.046 0.000 0.896 74 G HN 0.924 nan 8.290 nan 0.000 0.581 75 S N -1.408 114.376 115.700 0.140 0.000 2.627 75 S HA 0.638 5.108 4.470 0.001 0.000 0.268 75 S C 0.383 175.061 174.600 0.130 0.000 1.130 75 S CA 0.675 58.951 58.200 0.127 0.000 0.819 75 S CB 1.225 64.473 63.200 0.079 0.000 1.100 75 S HN 0.952 nan 8.310 nan 0.000 0.465 76 R N 0.905 121.465 120.500 0.100 0.000 2.075 76 R HA 0.039 4.379 4.340 0.001 0.000 0.232 76 R C 2.041 178.358 176.300 0.028 0.000 1.126 76 R CA 1.289 57.424 56.100 0.058 0.000 0.963 76 R CB -0.373 29.955 30.300 0.046 0.000 0.858 76 R HN 0.674 nan 8.270 nan 0.000 0.435 77 K N 0.185 120.604 120.400 0.031 0.000 2.032 77 K HA -0.141 4.179 4.320 0.001 0.000 0.209 77 K C 1.922 178.530 176.600 0.013 0.000 1.048 77 K CA 1.515 57.811 56.287 0.016 0.000 0.927 77 K CB -0.194 32.317 32.500 0.018 0.000 0.712 77 K HN 0.255 nan 8.250 nan 0.000 0.441 78 A N 1.420 124.260 122.820 0.032 0.000 1.883 78 A HA -0.189 4.132 4.320 0.001 0.000 0.217 78 A C 2.123 179.724 177.584 0.028 0.000 1.186 78 A CA 1.501 53.558 52.037 0.033 0.000 0.624 78 A CB -0.616 18.416 19.000 0.054 0.000 0.822 78 A HN 0.356 nan 8.150 nan 0.000 0.444 79 L N -0.275 120.972 121.223 0.040 0.000 2.017 79 L HA -0.041 4.300 4.340 0.001 0.000 0.208 79 L C 2.629 179.479 176.870 -0.033 0.000 1.073 79 L CA 2.378 57.229 54.840 0.018 0.000 0.745 79 L CB -0.765 41.276 42.059 -0.029 0.000 0.894 79 L HN 0.320 nan 8.230 nan 0.000 0.432 80 A N -0.826 121.969 122.820 -0.042 0.000 1.933 80 A HA -0.245 4.076 4.320 0.001 0.000 0.218 80 A C 2.202 179.726 177.584 -0.100 0.000 1.175 80 A CA 1.882 53.878 52.037 -0.068 0.000 0.628 80 A CB -0.710 18.263 19.000 -0.046 0.000 0.814 80 A HN 0.636 nan 8.150 nan 0.000 0.444 81 E N -0.577 119.580 120.200 -0.071 0.000 2.077 81 E HA -0.222 4.129 4.350 0.001 0.000 0.193 81 E C 2.111 178.637 176.600 -0.124 0.000 0.989 81 E CA 1.475 57.828 56.400 -0.079 0.000 0.800 81 E CB -0.114 29.560 29.700 -0.042 0.000 0.746 81 E HN 0.662 nan 8.360 nan 0.000 0.452 82 K N 0.485 120.817 120.400 -0.113 0.000 2.032 82 K HA -0.172 4.149 4.320 0.001 0.000 0.209 82 K C 2.092 178.425 176.600 -0.446 0.000 1.048 82 K CA 1.264 57.462 56.287 -0.148 0.000 0.927 82 K CB -0.121 32.369 32.500 -0.017 0.000 0.712 82 K HN 0.088 nan 8.250 nan 0.000 0.441 83 A N 0.529 123.013 122.820 -0.561 0.000 1.902 83 A HA -0.111 4.209 4.320 0.001 0.000 0.217 83 A C 2.226 179.383 177.584 -0.711 0.000 1.181 83 A CA 1.643 53.029 52.037 -1.086 0.000 0.623 83 A CB -0.593 18.117 19.000 -0.482 0.000 0.818 83 A HN 0.189 nan 8.150 nan 0.000 0.443 84 V N -0.159 119.540 119.914 -0.358 0.000 2.427 84 V HA -0.236 3.885 4.120 0.001 0.000 0.248 84 V C 2.632 178.603 176.094 -0.205 0.000 1.051 84 V CA 2.112 64.278 62.300 -0.223 0.000 1.048 84 V CB -0.770 30.971 31.823 -0.137 0.000 0.666 84 V HN 0.511 nan 8.190 nan 0.000 0.456 85 R N -0.000 120.375 120.500 -0.208 0.000 2.081 85 R HA -0.113 4.227 4.340 0.001 0.000 0.235 85 R C 2.479 178.697 176.300 -0.136 0.000 1.131 85 R CA 1.502 57.519 56.100 -0.139 0.000 0.960 85 R CB -0.851 29.389 30.300 -0.101 0.000 0.856 85 R HN 0.595 nan 8.270 nan 0.000 0.436 86 G N 1.192 109.845 108.800 -0.244 0.000 2.446 86 G HA2 -0.240 3.721 3.960 0.001 0.000 0.217 86 G HA3 -0.240 3.721 3.960 0.001 0.000 0.217 86 G C 1.442 176.344 174.900 0.003 0.000 1.168 86 G CA 0.566 45.619 45.100 -0.077 0.000 0.771 86 G HN 0.148 nan 8.290 nan 0.000 0.551 87 L N -0.300 120.871 121.223 -0.086 0.000 2.093 87 L HA -0.013 4.328 4.340 0.001 0.000 0.208 87 L C 3.141 179.984 176.870 -0.044 0.000 1.085 87 L CA 0.804 55.635 54.840 -0.015 0.000 0.755 87 L CB -0.353 41.688 42.059 -0.030 0.000 0.904 87 L HN 0.139 nan 8.230 nan 0.000 0.435 88 R N -0.066 120.394 120.500 -0.068 0.000 2.096 88 R HA -0.120 4.220 4.340 0.001 0.000 0.235 88 R C 2.441 178.709 176.300 -0.053 0.000 1.127 88 R CA 1.145 57.208 56.100 -0.062 0.000 0.968 88 R CB -0.251 30.011 30.300 -0.063 0.000 0.861 88 R HN 0.366 nan 8.270 nan 0.000 0.440 89 R N 0.087 120.562 120.500 -0.042 0.000 2.092 89 R HA -0.036 4.305 4.340 0.001 0.000 0.231 89 R C 2.258 178.526 176.300 -0.053 0.000 1.119 89 R CA 1.261 57.339 56.100 -0.038 0.000 0.970 89 R CB -0.202 30.087 30.300 -0.019 0.000 0.864 89 R HN 0.186 nan 8.270 nan 0.000 0.440 90 A N 0.939 123.731 122.820 -0.046 0.000 1.929 90 A HA -0.134 4.187 4.320 0.001 0.000 0.216 90 A C 2.102 179.605 177.584 -0.135 0.000 1.176 90 A CA 0.929 52.912 52.037 -0.089 0.000 0.628 90 A CB -0.363 18.606 19.000 -0.052 0.000 0.816 90 A HN 0.185 nan 8.150 nan 0.000 0.444 91 R N -0.226 120.215 120.500 -0.100 0.000 2.083 91 R HA -0.136 4.204 4.340 0.001 0.000 0.237 91 R C 2.263 178.503 176.300 -0.100 0.000 1.137 91 R CA 1.462 57.499 56.100 -0.106 0.000 0.951 91 R CB -0.416 29.834 30.300 -0.083 0.000 0.851 91 R HN 0.431 nan 8.270 nan 0.000 0.434 92 A N 0.412 123.183 122.820 -0.081 0.000 2.024 92 A HA -0.128 4.192 4.320 0.001 0.000 0.220 92 A C 2.154 179.693 177.584 -0.075 0.000 1.164 92 A CA 1.753 53.751 52.037 -0.066 0.000 0.643 92 A CB -0.546 18.422 19.000 -0.053 0.000 0.806 92 A HN 0.539 nan 8.150 nan 0.000 0.451 93 A N -2.460 120.295 122.820 -0.109 0.000 2.208 93 A HA 0.421 4.741 4.320 0.001 0.000 0.209 93 A C 1.767 179.247 177.584 -0.173 0.000 1.161 93 A CA 1.319 53.278 52.037 -0.130 0.000 0.782 93 A CB -0.505 18.404 19.000 -0.153 0.000 0.816 93 A HN 1.770 nan 8.150 nan 0.000 0.477 94 G N -2.048 106.640 108.800 -0.187 0.000 2.229 94 G HA2 -0.156 3.804 3.960 0.001 0.000 0.189 94 G HA3 -0.156 3.804 3.960 0.001 0.000 0.189 94 G C 0.150 174.864 174.900 -0.311 0.000 1.000 94 G CA -0.100 44.900 45.100 -0.167 0.000 0.663 94 G HN 0.650 nan 8.290 nan 0.000 0.493 95 V N 2.117 121.730 119.914 -0.502 0.000 2.529 95 V HA 0.302 4.422 4.120 0.001 0.000 0.292 95 V C 1.617 177.622 176.094 -0.148 0.000 1.028 95 V CA 0.515 62.534 62.300 -0.469 0.000 1.074 95 V CB 1.331 32.915 31.823 -0.399 0.000 0.958 95 V HN 0.367 nan 8.190 nan 0.000 0.481 96 R N 1.946 122.443 120.500 -0.006 0.000 2.250 96 R HA 0.212 4.553 4.340 0.001 0.000 0.194 96 R C 0.100 176.433 176.300 0.055 0.000 0.927 96 R CA 0.458 56.571 56.100 0.020 0.000 1.052 96 R CB 0.976 31.336 30.300 0.101 0.000 1.055 96 R HN 0.728 nan 8.270 nan 0.000 0.537 97 T N 1.206 115.838 114.554 0.129 0.000 2.916 97 T HA 0.502 4.853 4.350 0.001 0.000 0.305 97 T C -0.580 174.200 174.700 0.132 0.000 1.119 97 T CA -0.592 61.607 62.100 0.165 0.000 1.008 97 T CB 2.429 71.427 68.868 0.216 0.000 1.129 97 T HN 0.187 nan 8.240 nan 0.000 0.480 98 I N -0.984 119.653 120.570 0.112 0.000 2.785 98 I HA 0.891 5.062 4.170 0.001 0.000 0.302 98 I C -1.306 174.852 176.117 0.067 0.000 1.069 98 I CA -1.256 60.100 61.300 0.094 0.000 1.045 98 I CB 2.037 40.089 38.000 0.087 0.000 1.236 98 I HN 0.314 nan 8.210 nan 0.000 0.429 99 V N 3.934 123.874 119.914 0.044 0.000 2.313 99 V HA 0.273 4.394 4.120 0.001 0.000 0.278 99 V C -0.494 175.554 176.094 -0.077 0.000 1.017 99 V CA -0.247 62.051 62.300 -0.003 0.000 0.823 99 V CB 0.896 32.727 31.823 0.014 0.000 1.010 99 V HN 0.756 nan 8.190 nan 0.000 0.443 100 D N 4.423 124.773 120.400 -0.083 0.000 2.365 100 D HA 0.120 4.761 4.640 0.001 0.000 0.237 100 D C 0.798 176.974 176.300 -0.206 0.000 1.190 100 D CA -0.303 53.608 54.000 -0.149 0.000 0.867 100 D CB 1.923 42.690 40.800 -0.055 0.000 1.050 100 D HN 0.451 nan 8.370 nan 0.000 0.491 101 V N 1.736 121.405 119.914 -0.409 0.000 3.490 101 V HA 0.220 4.341 4.120 0.001 0.000 0.315 101 V C 0.324 176.312 176.094 -0.177 0.000 1.284 101 V CA -0.535 61.553 62.300 -0.354 0.000 1.233 101 V CB -0.951 30.539 31.823 -0.556 0.000 1.101 101 V HN 0.307 nan 8.190 nan 0.000 0.425 102 S N 2.618 118.278 115.700 -0.067 0.000 2.481 102 S HA 0.424 4.894 4.470 0.001 0.000 0.276 102 S C 0.833 175.426 174.600 -0.011 0.000 1.247 102 S CA 0.211 58.413 58.200 0.004 0.000 1.053 102 S CB 0.777 63.992 63.200 0.026 0.000 0.925 102 S HN 0.881 nan 8.310 nan 0.000 0.491 103 T N 0.471 115.026 114.554 0.001 0.000 2.852 103 T HA 0.397 4.747 4.350 0.001 0.000 0.281 103 T C 0.947 175.754 174.700 0.179 0.000 0.993 103 T CA -0.786 61.385 62.100 0.119 0.000 0.933 103 T CB 0.118 69.102 68.868 0.193 0.000 1.187 103 T HN 0.394 nan 8.240 nan 0.000 0.559 104 F N 1.947 122.005 119.950 0.181 0.000 2.126 104 F HA -0.119 4.408 4.527 0.001 0.000 0.299 104 F C 2.040 177.932 175.800 0.154 0.000 1.096 104 F CA 2.174 60.295 58.000 0.203 0.000 1.255 104 F CB -0.489 38.711 39.000 0.333 0.000 0.997 104 F HN 0.697 nan 8.300 nan 0.000 0.479 105 D N 0.170 120.677 120.400 0.179 0.000 2.363 105 D HA -0.133 4.507 4.640 0.001 0.000 0.226 105 D C 1.739 178.040 176.300 0.002 0.000 1.020 105 D CA 0.775 54.810 54.000 0.058 0.000 0.892 105 D CB -0.839 40.145 40.800 0.307 0.000 0.900 105 D HN 0.491 nan 8.370 nan 0.000 0.531 106 I N 0.012 120.519 120.570 -0.103 0.000 3.883 106 I HA 0.153 4.324 4.170 0.001 0.000 0.326 106 I C 1.319 177.311 176.117 -0.209 0.000 1.283 106 I CA 0.253 61.366 61.300 -0.311 0.000 1.161 106 I CB 0.038 37.736 38.000 -0.502 0.000 1.012 106 I HN 0.149 nan 8.210 nan 0.000 0.421 107 G N 2.466 111.167 108.800 -0.164 0.000 2.160 107 G HA2 -0.327 3.633 3.960 0.001 0.000 0.251 107 G HA3 -0.327 3.633 3.960 0.001 0.000 0.251 107 G C 0.550 175.409 174.900 -0.068 0.000 1.008 107 G CA 0.051 45.081 45.100 -0.117 0.000 0.724 107 G HN 0.500 nan 8.290 nan 0.000 0.514 108 R N 0.534 121.003 120.500 -0.053 0.000 2.523 108 R HA 0.155 4.496 4.340 0.001 0.000 0.281 108 R C -1.005 175.305 176.300 0.017 0.000 0.969 108 R CA 0.837 56.932 56.100 -0.007 0.000 1.093 108 R CB 0.291 30.611 30.300 0.033 0.000 0.917 108 R HN 0.155 nan 8.270 nan 0.000 0.408 109 D N 5.022 125.429 120.400 0.012 0.000 2.420 109 D HA 0.048 4.688 4.640 0.001 0.000 0.255 109 D C 0.704 177.019 176.300 0.024 0.000 1.185 109 D CA -0.405 53.609 54.000 0.024 0.000 0.904 109 D CB 1.652 42.457 40.800 0.008 0.000 1.102 109 D HN 0.365 nan 8.370 nan 0.000 0.534 110 V N 3.569 123.506 119.914 0.037 0.000 2.568 110 V HA -0.237 3.883 4.120 0.001 0.000 0.253 110 V C 2.286 178.392 176.094 0.019 0.000 1.072 110 V CA 2.707 65.023 62.300 0.028 0.000 1.084 110 V CB -0.222 31.622 31.823 0.034 0.000 0.676 110 V HN 0.677 nan 8.190 nan 0.000 0.469 111 S N -0.385 115.328 115.700 0.022 0.000 2.383 111 S HA -0.185 4.286 4.470 0.001 0.000 0.227 111 S C 1.930 176.534 174.600 0.007 0.000 1.026 111 S CA 1.641 59.849 58.200 0.015 0.000 0.981 111 S CB -0.544 62.667 63.200 0.019 0.000 0.818 111 S HN 0.490 nan 8.310 nan 0.000 0.472 112 L N 0.810 122.035 121.223 0.004 0.000 2.027 112 L HA 0.085 4.426 4.340 0.001 0.000 0.206 112 L C 2.146 179.014 176.870 -0.002 0.000 1.074 112 L CA 1.402 56.239 54.840 -0.006 0.000 0.745 112 L CB -0.735 41.312 42.059 -0.020 0.000 0.898 112 L HN 0.216 nan 8.230 nan 0.000 0.433 113 L N 0.151 121.377 121.223 0.006 0.000 2.012 113 L HA -0.159 4.182 4.340 0.001 0.000 0.210 113 L C 2.761 179.637 176.870 0.010 0.000 1.073 113 L CA 2.082 56.929 54.840 0.013 0.000 0.748 113 L CB -1.860 40.209 42.059 0.016 0.000 0.891 113 L HN 0.378 nan 8.230 nan 0.000 0.431 114 A N -1.057 121.768 122.820 0.008 0.000 1.902 114 A HA -0.250 4.070 4.320 0.001 0.000 0.217 114 A C 2.352 179.937 177.584 0.002 0.000 1.181 114 A CA 1.757 53.799 52.037 0.007 0.000 0.623 114 A CB -0.553 18.450 19.000 0.005 0.000 0.818 114 A HN 0.510 nan 8.150 nan 0.000 0.443 115 E N 0.085 120.283 120.200 -0.003 0.000 2.017 115 E HA -0.171 4.179 4.350 0.001 0.000 0.193 115 E C 2.050 178.640 176.600 -0.018 0.000 0.997 115 E CA 2.182 58.576 56.400 -0.010 0.000 0.804 115 E CB -0.270 29.424 29.700 -0.011 0.000 0.757 115 E HN 0.547 nan 8.360 nan 0.000 0.448 116 V N -0.477 119.424 119.914 -0.022 0.000 2.594 116 V HA -0.188 3.932 4.120 0.001 0.000 0.253 116 V C 2.275 178.352 176.094 -0.028 0.000 1.069 116 V CA 2.227 64.504 62.300 -0.037 0.000 1.082 116 V CB -0.607 31.186 31.823 -0.050 0.000 0.680 116 V HN 0.272 nan 8.190 nan 0.000 0.469 117 S N 0.847 116.541 115.700 -0.010 0.000 2.383 117 S HA -0.158 4.313 4.470 0.001 0.000 0.227 117 S C 2.170 176.760 174.600 -0.017 0.000 1.026 117 S CA 1.582 59.780 58.200 -0.005 0.000 0.981 117 S CB -0.348 62.865 63.200 0.022 0.000 0.818 117 S HN 0.751 nan 8.310 nan 0.000 0.472 118 R N 0.868 121.360 120.500 -0.013 0.000 2.073 118 R HA 0.159 4.500 4.340 0.001 0.000 0.229 118 R C 2.718 179.002 176.300 -0.027 0.000 1.120 118 R CA 1.249 57.340 56.100 -0.015 0.000 0.967 118 R CB -0.630 29.666 30.300 -0.007 0.000 0.862 118 R HN 0.460 nan 8.270 nan 0.000 0.436 119 A N 1.353 124.154 122.820 -0.032 0.000 1.898 119 A HA -0.023 4.297 4.320 0.001 0.000 0.216 119 A C 2.270 179.825 177.584 -0.049 0.000 1.181 119 A CA 1.613 53.627 52.037 -0.039 0.000 0.620 119 A CB -0.484 18.490 19.000 -0.043 0.000 0.819 119 A HN 0.382 nan 8.150 nan 0.000 0.442 120 A N -1.611 121.175 122.820 -0.056 0.000 2.132 120 A HA 0.275 4.595 4.320 0.001 0.000 0.213 120 A C 0.850 178.391 177.584 -0.071 0.000 1.154 120 A CA 1.165 53.163 52.037 -0.066 0.000 0.753 120 A CB -0.216 18.742 19.000 -0.071 0.000 0.826 120 A HN 0.588 nan 8.150 nan 0.000 0.469 121 D N -1.366 118.992 120.400 -0.071 0.000 2.716 121 D HA -0.125 4.515 4.640 0.001 0.000 0.239 121 D C -0.816 175.391 176.300 -0.155 0.000 1.125 121 D CA 0.845 54.787 54.000 -0.097 0.000 0.681 121 D CB -1.598 39.150 40.800 -0.086 0.000 1.070 121 D HN 0.186 nan 8.370 nan 0.000 0.432 122 V N 2.486 122.319 119.914 -0.136 0.000 2.588 122 V HA 0.315 4.435 4.120 0.001 0.000 0.304 122 V C 0.280 176.310 176.094 -0.107 0.000 1.042 122 V CA -0.914 61.292 62.300 -0.156 0.000 0.877 122 V CB 1.876 33.658 31.823 -0.067 0.000 0.996 122 V HN 0.242 nan 8.190 nan 0.000 0.425 123 H N 5.074 124.151 119.070 0.011 0.000 2.848 123 H HA 0.411 4.968 4.556 0.001 0.000 0.341 123 H C -0.311 175.026 175.328 0.015 0.000 1.060 123 H CA 0.331 56.385 56.048 0.011 0.000 1.444 123 H CB 0.778 30.549 29.762 0.016 0.000 1.446 123 H HN 0.419 nan 8.280 nan 0.000 0.583 124 I N 3.272 123.931 120.570 0.149 0.000 2.447 124 I HA 0.120 4.290 4.170 0.001 0.000 0.287 124 I C -0.279 175.866 176.117 0.046 0.000 1.023 124 I CA -0.803 60.546 61.300 0.081 0.000 1.083 124 I CB 2.090 40.123 38.000 0.055 0.000 1.245 124 I HN 0.134 nan 8.210 nan 0.000 0.434 125 V N 5.687 125.617 119.914 0.027 0.000 2.383 125 V HA 0.550 4.671 4.120 0.001 0.000 0.275 125 V C 0.624 176.704 176.094 -0.023 0.000 1.036 125 V CA -0.398 61.897 62.300 -0.008 0.000 0.889 125 V CB 1.361 33.174 31.823 -0.016 0.000 0.985 125 V HN 0.836 nan 8.190 nan 0.000 0.459 126 A N 4.474 127.276 122.820 -0.030 0.000 2.286 126 A HA 0.914 5.234 4.320 0.001 0.000 0.286 126 A C 0.241 177.793 177.584 -0.053 0.000 1.097 126 A CA 0.037 52.054 52.037 -0.034 0.000 0.821 126 A CB 0.998 19.986 19.000 -0.019 0.000 1.076 126 A HN 1.215 nan 8.150 nan 0.000 0.490 127 A N -0.033 122.755 122.820 -0.053 0.000 2.346 127 A HA 0.849 5.170 4.320 0.001 0.000 0.313 127 A C 0.112 177.660 177.584 -0.060 0.000 1.140 127 A CA -0.012 51.981 52.037 -0.073 0.000 0.826 127 A CB 1.339 20.289 19.000 -0.083 0.000 1.332 127 A HN 1.193 nan 8.150 nan 0.000 0.457 128 T N -1.674 112.812 114.554 -0.113 0.000 2.807 128 T HA 0.788 5.139 4.350 0.001 0.000 0.277 128 T C 0.166 174.717 174.700 -0.249 0.000 1.006 128 T CA 0.774 62.787 62.100 -0.146 0.000 1.006 128 T CB 1.263 70.004 68.868 -0.212 0.000 1.274 128 T HN 2.658 nan 8.240 nan 0.000 0.569 129 G N -0.053 108.495 108.800 -0.421 0.000 2.373 129 G HA2 0.187 4.148 3.960 0.001 0.000 0.634 129 G HA3 0.187 4.148 3.960 0.001 0.000 0.634 129 G C -2.049 172.899 174.900 0.079 0.000 1.267 129 G CA -0.463 44.293 45.100 -0.575 0.000 1.008 129 G HN 0.873 nan 8.290 nan 0.000 0.497 130 L N -1.176 120.178 121.223 0.218 0.000 2.434 130 L HA 0.692 5.032 4.340 0.001 0.000 0.260 130 L C 0.079 177.185 176.870 0.394 0.000 0.983 130 L CA -0.764 54.326 54.840 0.417 0.000 0.820 130 L CB 2.357 44.737 42.059 0.535 0.000 1.361 130 L HN 0.848 nan 8.230 nan 0.000 0.410 131 W N 1.944 123.333 121.300 0.149 0.000 1.931 131 W HA 0.359 5.020 4.660 0.001 0.000 0.642 131 W C 0.565 177.141 176.519 0.096 0.000 1.377 131 W CA -0.013 57.345 57.345 0.023 0.000 1.021 131 W CB 0.228 29.588 29.460 -0.166 0.000 3.491 131 W HN 0.305 nan 8.180 nan 0.000 0.756 132 F N 0.478 120.060 119.950 -0.613 0.000 2.647 132 F HA 0.327 4.855 4.527 0.001 0.000 0.300 132 F C 0.157 175.769 175.800 -0.314 0.000 1.106 132 F CA -0.490 57.193 58.000 -0.528 0.000 1.313 132 F CB -0.445 38.141 39.000 -0.691 0.000 1.007 132 F HN -0.003 nan 8.300 nan 0.000 0.536 133 D N 2.197 122.608 120.400 0.018 0.000 2.963 133 D HA 0.260 4.901 4.640 0.001 0.000 0.361 133 D C -2.752 173.649 176.300 0.169 0.000 1.317 133 D CA -2.166 51.905 54.000 0.119 0.000 0.832 133 D CB 0.549 41.468 40.800 0.198 0.000 1.135 133 D HN -0.003 nan 8.370 nan 0.000 0.476 134 P HA 0.246 nan 4.420 nan 0.000 0.271 134 P C -2.569 174.776 177.300 0.075 0.000 1.216 134 P CA -1.083 62.118 63.100 0.168 0.000 0.776 134 P CB 0.590 32.374 31.700 0.140 0.000 0.881 135 P HA 0.242 nan 4.420 nan 0.000 0.279 135 P C 1.237 178.524 177.300 -0.021 0.000 1.276 135 P CA -0.535 62.603 63.100 0.063 0.000 0.801 135 P CB 0.986 32.762 31.700 0.126 0.000 1.127 136 L N -0.228 120.977 121.223 -0.031 0.000 2.042 136 L HA -0.204 4.136 4.340 0.001 0.000 0.210 136 L C 2.425 179.249 176.870 -0.076 0.000 1.076 136 L CA 1.850 56.648 54.840 -0.069 0.000 0.749 136 L CB -0.956 41.078 42.059 -0.041 0.000 0.893 136 L HN 0.367 nan 8.230 nan 0.000 0.432 137 S N -0.829 114.846 115.700 -0.042 0.000 2.419 137 S HA -0.143 4.327 4.470 0.001 0.000 0.235 137 S C 1.889 176.426 174.600 -0.105 0.000 1.019 137 S CA 1.182 59.344 58.200 -0.063 0.000 0.982 137 S CB -0.054 63.119 63.200 -0.045 0.000 0.789 137 S HN 0.312 nan 8.310 nan 0.000 0.490 138 M N 0.495 120.033 119.600 -0.104 0.000 2.412 138 M HA 0.177 4.658 4.480 0.001 0.000 0.263 138 M C 2.028 178.230 176.300 -0.163 0.000 1.122 138 M CA 0.849 56.089 55.300 -0.099 0.000 1.179 138 M CB -0.980 31.612 32.600 -0.013 0.000 1.335 138 M HN 0.182 nan 8.290 nan 0.000 0.465 139 R N 0.584 120.835 120.500 -0.416 0.000 2.139 139 R HA -0.087 4.253 4.340 0.001 0.000 0.243 139 R C 1.833 177.887 176.300 -0.410 0.000 1.145 139 R CA 1.076 56.668 56.100 -0.847 0.000 0.976 139 R CB -0.471 29.479 30.300 -0.584 0.000 0.866 139 R HN 0.354 nan 8.270 nan 0.000 0.449 140 L N 0.684 121.804 121.223 -0.171 0.000 2.591 140 L HA 0.055 4.395 4.340 0.001 0.000 0.228 140 L C 0.505 177.384 176.870 0.015 0.000 1.133 140 L CA 0.008 54.814 54.840 -0.058 0.000 0.880 140 L CB -0.065 41.959 42.059 -0.057 0.000 1.033 140 L HN -0.000 nan 8.230 nan 0.000 0.450 141 R N 0.639 121.179 120.500 0.066 0.000 2.500 141 R HA 0.283 4.623 4.340 0.001 0.000 0.275 141 R C 0.471 176.839 176.300 0.113 0.000 1.051 141 R CA -0.094 56.048 56.100 0.069 0.000 1.088 141 R CB 1.151 31.465 30.300 0.024 0.000 1.063 141 R HN 0.068 nan 8.270 nan 0.000 0.511 142 S N -0.351 115.373 115.700 0.041 0.000 2.681 142 S HA 0.069 4.539 4.470 0.001 0.000 0.270 142 S C 1.278 175.870 174.600 -0.014 0.000 1.209 142 S CA -0.719 57.496 58.200 0.026 0.000 0.988 142 S CB 1.154 64.359 63.200 0.008 0.000 1.006 142 S HN 0.414 nan 8.310 nan 0.000 0.558 143 V N 0.963 120.861 119.914 -0.027 0.000 2.392 143 V HA -0.165 3.956 4.120 0.001 0.000 0.249 143 V C 2.273 178.330 176.094 -0.062 0.000 1.059 143 V CA 2.523 64.789 62.300 -0.056 0.000 1.051 143 V CB -1.183 30.620 31.823 -0.033 0.000 0.658 143 V HN 0.928 nan 8.190 nan 0.000 0.455 144 E N 0.219 120.396 120.200 -0.038 0.000 2.051 144 E HA -0.195 4.156 4.350 0.001 0.000 0.192 144 E C 2.166 178.737 176.600 -0.049 0.000 0.991 144 E CA 1.859 58.239 56.400 -0.034 0.000 0.799 144 E CB -0.239 29.450 29.700 -0.018 0.000 0.748 144 E HN 0.757 nan 8.360 nan 0.000 0.449 145 E N 0.337 120.507 120.200 -0.050 0.000 2.031 145 E HA -0.147 4.203 4.350 0.001 0.000 0.193 145 E C 2.168 178.707 176.600 -0.103 0.000 0.994 145 E CA 0.871 57.237 56.400 -0.056 0.000 0.800 145 E CB -0.197 29.475 29.700 -0.046 0.000 0.752 145 E HN 0.202 nan 8.360 nan 0.000 0.447 146 L N 0.926 122.044 121.223 -0.174 0.000 2.079 146 L HA -0.206 4.134 4.340 0.001 0.000 0.210 146 L C 2.570 179.102 176.870 -0.564 0.000 1.081 146 L CA 1.253 55.851 54.840 -0.403 0.000 0.752 146 L CB -0.815 40.973 42.059 -0.452 0.000 0.896 146 L HN 0.209 nan 8.230 nan 0.000 0.433 147 T N -1.401 112.982 114.554 -0.286 0.000 2.746 147 T HA -0.223 4.127 4.350 0.001 0.000 0.267 147 T C 1.920 176.581 174.700 -0.066 0.000 1.039 147 T CA 1.123 63.137 62.100 -0.142 0.000 1.142 147 T CB -0.136 68.712 68.868 -0.034 0.000 0.866 147 T HN 0.200 nan 8.240 nan 0.000 0.444 148 Q N 0.275 120.043 119.800 -0.053 0.000 2.061 148 Q HA -0.013 4.327 4.340 0.001 0.000 0.204 148 Q C 1.916 177.943 176.000 0.045 0.000 0.984 148 Q CA 1.334 57.136 55.803 -0.002 0.000 0.846 148 Q CB -0.806 27.931 28.738 -0.001 0.000 0.902 148 Q HN 0.623 nan 8.270 nan 0.000 0.421 149 F N -0.191 119.676 119.950 -0.138 0.000 2.146 149 F HA -0.177 4.350 4.527 0.001 0.000 0.298 149 F C 1.554 177.434 175.800 0.133 0.000 1.096 149 F CA 0.981 58.946 58.000 -0.058 0.000 1.275 149 F CB -0.237 38.685 39.000 -0.130 0.000 1.008 149 F HN -0.000 nan 8.300 nan 0.000 0.480 150 F N 0.705 120.607 119.950 -0.080 0.000 2.171 150 F HA -0.148 4.380 4.527 0.001 0.000 0.300 150 F C 2.234 177.934 175.800 -0.167 0.000 1.090 150 F CA 0.955 58.847 58.000 -0.179 0.000 1.293 150 F CB -1.572 37.419 39.000 -0.015 0.000 1.013 150 F HN 0.044 nan 8.300 nan 0.000 0.486 151 L N -0.570 120.708 121.223 0.091 0.000 2.109 151 L HA -0.126 4.215 4.340 0.001 0.000 0.207 151 L C 2.687 179.561 176.870 0.005 0.000 1.086 151 L CA 0.953 55.817 54.840 0.040 0.000 0.760 151 L CB -0.562 41.517 42.059 0.035 0.000 0.910 151 L HN 0.024 nan 8.230 nan 0.000 0.437 152 R N 0.792 121.278 120.500 -0.025 0.000 2.094 152 R HA -0.219 4.122 4.340 0.001 0.000 0.239 152 R C 2.030 178.333 176.300 0.004 0.000 1.137 152 R CA 1.980 58.076 56.100 -0.006 0.000 0.943 152 R CB -0.249 30.030 30.300 -0.035 0.000 0.850 152 R HN 0.407 nan 8.270 nan 0.000 0.433 153 E N 0.038 120.148 120.200 -0.149 0.000 2.160 153 E HA -0.207 4.143 4.350 0.001 0.000 0.195 153 E C 2.082 178.643 176.600 -0.065 0.000 0.991 153 E CA 1.572 57.888 56.400 -0.140 0.000 0.810 153 E CB -0.092 29.438 29.700 -0.284 0.000 0.742 153 E HN 0.510 nan 8.360 nan 0.000 0.466 154 I N 0.460 120.999 120.570 -0.052 0.000 2.429 154 I HA -0.205 3.966 4.170 0.001 0.000 0.247 154 I C 2.409 178.518 176.117 -0.014 0.000 1.099 154 I CA 0.866 62.143 61.300 -0.039 0.000 1.422 154 I CB -0.048 37.929 38.000 -0.038 0.000 1.112 154 I HN 0.010 nan 8.210 nan 0.000 0.430 155 Q N -0.582 119.229 119.800 0.019 0.000 2.165 155 Q HA -0.135 4.205 4.340 0.001 0.000 0.197 155 Q C 1.942 177.991 176.000 0.081 0.000 0.952 155 Q CA 1.314 57.141 55.803 0.041 0.000 0.848 155 Q CB -0.004 28.765 28.738 0.050 0.000 0.931 155 Q HN 0.488 nan 8.270 nan 0.000 0.470 156 Y N 0.069 120.351 120.300 -0.030 0.000 2.343 156 Y HA 0.251 4.802 4.550 0.001 0.000 0.294 156 Y C 0.690 176.578 175.900 -0.020 0.000 1.122 156 Y CA 1.312 59.400 58.100 -0.020 0.000 1.173 156 Y CB 0.683 39.135 38.460 -0.013 0.000 1.077 156 Y HN 0.101 nan 8.280 nan 0.000 0.542 157 G N 0.318 109.130 108.800 0.020 0.000 2.355 157 G HA2 -0.020 3.941 3.960 0.001 0.000 0.619 157 G HA3 -0.020 3.941 3.960 0.001 0.000 0.619 157 G C -1.590 173.320 174.900 0.017 0.000 1.337 157 G CA -0.563 44.497 45.100 -0.068 0.000 0.993 157 G HN 0.201 nan 8.290 nan 0.000 0.599 158 I N 1.787 122.358 120.570 0.001 0.000 2.371 158 I HA 0.384 4.554 4.170 0.001 0.000 0.290 158 I C 1.133 177.300 176.117 0.084 0.000 1.028 158 I CA 0.321 61.652 61.300 0.052 0.000 1.345 158 I CB 0.972 39.000 38.000 0.046 0.000 1.407 158 I HN 0.970 nan 8.210 nan 0.000 0.501 159 E N 3.338 123.626 120.200 0.146 0.000 3.333 159 E HA -0.326 4.025 4.350 0.001 0.000 0.342 159 E C 0.163 176.854 176.600 0.152 0.000 1.501 159 E CA 1.926 58.422 56.400 0.161 0.000 1.770 159 E CB -0.397 29.384 29.700 0.135 0.000 1.817 159 E HN 0.943 nan 8.360 nan 0.000 0.485 160 D N 0.015 120.479 120.400 0.107 0.000 2.388 160 D HA 0.021 4.662 4.640 0.001 0.000 0.221 160 D C 1.155 177.454 176.300 -0.001 0.000 1.133 160 D CA 1.017 55.062 54.000 0.076 0.000 0.831 160 D CB -0.181 40.669 40.800 0.084 0.000 0.962 160 D HN 0.418 nan 8.370 nan 0.000 0.502 161 T N -3.809 110.737 114.554 -0.012 0.000 3.043 161 T HA 0.233 4.584 4.350 0.001 0.000 0.263 161 T C 1.890 176.538 174.700 -0.086 0.000 1.094 161 T CA 0.991 63.069 62.100 -0.035 0.000 1.127 161 T CB -0.299 68.562 68.868 -0.012 0.000 0.905 161 T HN 0.349 nan 8.240 nan 0.000 0.490 162 G N 1.290 109.994 108.800 -0.159 0.000 2.179 162 G HA2 -0.216 3.745 3.960 0.001 0.000 0.260 162 G HA3 -0.216 3.745 3.960 0.001 0.000 0.260 162 G C 0.066 174.891 174.900 -0.124 0.000 0.977 162 G CA 0.117 45.101 45.100 -0.194 0.000 0.641 162 G HN 0.662 nan 8.290 nan 0.000 0.533 163 I N 1.767 122.288 120.570 -0.081 0.000 2.396 163 I HA 0.312 4.482 4.170 0.001 0.000 0.289 163 I C 0.941 177.026 176.117 -0.052 0.000 1.056 163 I CA -0.380 60.889 61.300 -0.053 0.000 1.365 163 I CB 0.639 38.623 38.000 -0.027 0.000 1.407 163 I HN 0.062 nan 8.210 nan 0.000 0.509 164 R N 5.320 125.788 120.500 -0.055 0.000 2.312 164 R HA 0.627 4.968 4.340 0.001 0.000 0.311 164 R C -0.079 176.190 176.300 -0.052 0.000 1.004 164 R CA -0.704 55.365 56.100 -0.053 0.000 0.902 164 R CB 1.352 31.619 30.300 -0.055 0.000 1.073 164 R HN 0.700 nan 8.270 nan 0.000 0.457 165 A N 1.488 124.274 122.820 -0.057 0.000 2.483 165 A HA 0.306 4.626 4.320 0.001 0.000 0.238 165 A C 1.077 178.615 177.584 -0.078 0.000 1.070 165 A CA 0.214 52.211 52.037 -0.067 0.000 0.770 165 A CB 0.280 19.230 19.000 -0.084 0.000 1.008 165 A HN 0.947 nan 8.150 nan 0.000 0.497 166 G N 0.208 108.957 108.800 -0.085 0.000 3.228 166 G HA2 0.455 4.416 3.960 0.001 0.000 0.245 166 G HA3 0.455 4.416 3.960 0.001 0.000 0.245 166 G C 0.019 174.837 174.900 -0.136 0.000 1.051 166 G CA 0.484 45.523 45.100 -0.102 0.000 0.809 166 G HN 0.760 nan 8.290 nan 0.000 0.531 167 I N -0.510 119.979 120.570 -0.134 0.000 3.066 167 I HA 0.523 4.694 4.170 0.001 0.000 0.307 167 I C -1.777 174.248 176.117 -0.152 0.000 1.366 167 I CA -1.352 59.853 61.300 -0.159 0.000 0.972 167 I CB 2.630 40.551 38.000 -0.131 0.000 1.307 167 I HN -0.141 nan 8.210 nan 0.000 0.470 168 I N 4.370 124.844 120.570 -0.160 0.000 2.389 168 I HA 0.394 4.565 4.170 0.001 0.000 0.288 168 I C -0.877 175.163 176.117 -0.129 0.000 0.999 168 I CA -0.578 60.602 61.300 -0.200 0.000 1.129 168 I CB 1.664 39.526 38.000 -0.230 0.000 1.288 168 I HN 0.325 nan 8.210 nan 0.000 0.444 169 K N 7.235 127.561 120.400 -0.123 0.000 2.206 169 K HA 0.749 5.070 4.320 0.001 0.000 0.264 169 K C -1.032 175.602 176.600 0.057 0.000 0.967 169 K CA -0.528 55.755 56.287 -0.007 0.000 0.844 169 K CB 1.549 34.050 32.500 0.003 0.000 1.099 169 K HN 0.451 nan 8.250 nan 0.000 0.441 170 V N -0.125 119.887 119.914 0.164 0.000 3.102 170 V HA 1.019 5.140 4.120 0.001 0.000 0.312 170 V C -1.113 175.158 176.094 0.295 0.000 1.135 170 V CA -0.666 61.771 62.300 0.229 0.000 1.022 170 V CB 1.481 33.455 31.823 0.251 0.000 1.056 170 V HN 0.969 nan 8.190 nan 0.000 0.436 171 A N 1.378 124.368 122.820 0.282 0.000 2.594 171 A HA 1.004 5.325 4.320 0.001 0.000 0.295 171 A C -0.355 177.354 177.584 0.209 0.000 1.071 171 A CA -0.013 52.209 52.037 0.308 0.000 0.685 171 A CB 1.842 21.019 19.000 0.295 0.000 1.285 171 A HN 2.180 nan 8.150 nan 0.000 0.405 172 T N -2.166 112.509 114.554 0.203 0.000 2.864 172 T HA 0.777 5.127 4.350 0.001 0.000 0.299 172 T C -0.579 174.176 174.700 0.092 0.000 1.166 172 T CA -0.276 61.879 62.100 0.092 0.000 1.007 172 T CB 1.999 70.895 68.868 0.046 0.000 1.219 172 T HN 1.380 nan 8.240 nan 0.000 0.506 173 T N 0.539 115.076 114.554 -0.028 0.000 3.477 173 T HA 0.605 4.955 4.350 0.001 0.000 0.277 173 T C 0.246 174.903 174.700 -0.070 0.000 1.090 173 T CA 0.886 62.953 62.100 -0.054 0.000 1.635 173 T CB -0.906 67.796 68.868 -0.276 0.000 0.817 173 T HN 1.963 nan 8.240 nan 0.000 0.609 174 G N 2.602 111.382 108.800 -0.034 0.000 2.447 174 G HA2 -0.081 3.880 3.960 0.001 0.000 0.220 174 G HA3 -0.081 3.880 3.960 0.001 0.000 0.220 174 G C -0.551 174.325 174.900 -0.041 0.000 1.261 174 G CA -0.485 44.588 45.100 -0.045 0.000 1.000 174 G HN 0.730 nan 8.290 nan 0.000 0.515 175 K N 0.643 121.018 120.400 -0.042 0.000 2.530 175 K HA 0.453 4.774 4.320 0.001 0.000 0.280 175 K C 0.934 177.515 176.600 -0.032 0.000 1.004 175 K CA 0.594 56.859 56.287 -0.036 0.000 1.071 175 K CB 0.100 32.580 32.500 -0.032 0.000 0.876 175 K HN 1.561 nan 8.250 nan 0.000 0.487 176 A N 3.792 126.593 122.820 -0.031 0.000 2.462 176 A HA 0.136 4.457 4.320 0.001 0.000 0.243 176 A C 0.238 177.818 177.584 -0.006 0.000 1.076 176 A CA 0.056 52.081 52.037 -0.021 0.000 0.773 176 A CB -0.004 18.975 19.000 -0.035 0.000 1.010 176 A HN 0.878 nan 8.150 nan 0.000 0.493 177 T N 0.536 115.101 114.554 0.017 0.000 2.868 177 T HA 0.406 4.756 4.350 0.001 0.000 0.292 177 T C -1.784 172.950 174.700 0.056 0.000 1.028 177 T CA -1.292 60.834 62.100 0.044 0.000 1.059 177 T CB 0.705 69.622 68.868 0.083 0.000 0.991 177 T HN 0.378 nan 8.240 nan 0.000 0.531 178 P HA -0.093 nan 4.420 nan 0.000 0.216 178 P C 1.243 178.598 177.300 0.091 0.000 1.150 178 P CA 0.812 63.950 63.100 0.063 0.000 0.843 178 P CB -0.158 31.586 31.700 0.073 0.000 0.787 179 F N 0.718 120.676 119.950 0.015 0.000 2.134 179 F HA -0.162 4.365 4.527 0.001 0.000 0.299 179 F C 2.332 178.161 175.800 0.048 0.000 1.097 179 F CA 1.611 59.628 58.000 0.029 0.000 1.264 179 F CB -0.855 38.163 39.000 0.030 0.000 1.001 179 F HN -0.122 nan 8.300 nan 0.000 0.479 180 Q N 0.047 119.847 119.800 0.001 0.000 2.084 180 Q HA -0.228 4.113 4.340 0.001 0.000 0.202 180 Q C 2.101 178.033 176.000 -0.114 0.000 0.978 180 Q CA 2.019 57.787 55.803 -0.059 0.000 0.844 180 Q CB -0.285 28.477 28.738 0.040 0.000 0.898 180 Q HN 0.548 nan 8.270 nan 0.000 0.426 181 E N 0.358 120.508 120.200 -0.084 0.000 2.160 181 E HA -0.190 4.161 4.350 0.001 0.000 0.195 181 E C 1.972 178.512 176.600 -0.101 0.000 0.991 181 E CA 0.783 57.135 56.400 -0.080 0.000 0.810 181 E CB -0.073 29.596 29.700 -0.051 0.000 0.742 181 E HN 0.363 nan 8.360 nan 0.000 0.466 182 L N 0.406 121.519 121.223 -0.183 0.000 2.056 182 L HA -0.151 4.189 4.340 0.001 0.000 0.207 182 L C 2.461 179.214 176.870 -0.194 0.000 1.078 182 L CA 0.696 55.414 54.840 -0.204 0.000 0.749 182 L CB -0.334 41.533 42.059 -0.319 0.000 0.901 182 L HN 0.074 nan 8.230 nan 0.000 0.433 183 V N -0.105 119.630 119.914 -0.298 0.000 2.343 183 V HA -0.291 3.830 4.120 0.001 0.000 0.247 183 V C 2.445 178.627 176.094 0.146 0.000 1.051 183 V CA 1.409 63.669 62.300 -0.067 0.000 1.036 183 V CB -0.329 31.453 31.823 -0.068 0.000 0.654 183 V HN 0.253 nan 8.190 nan 0.000 0.451 184 L N -0.215 121.056 121.223 0.080 0.000 2.042 184 L HA -0.194 4.146 4.340 0.001 0.000 0.210 184 L C 2.420 179.444 176.870 0.258 0.000 1.076 184 L CA 1.981 56.928 54.840 0.178 0.000 0.749 184 L CB -0.709 41.321 42.059 -0.047 0.000 0.893 184 L HN 0.271 nan 8.230 nan 0.000 0.432 185 K N -1.113 119.365 120.400 0.130 0.000 2.057 185 K HA -0.097 4.224 4.320 0.001 0.000 0.206 185 K C 2.140 178.833 176.600 0.155 0.000 1.050 185 K CA 1.250 57.618 56.287 0.134 0.000 0.935 185 K CB -0.369 32.165 32.500 0.056 0.000 0.715 185 K HN 0.327 nan 8.250 nan 0.000 0.439 186 A N 1.574 124.478 122.820 0.141 0.000 1.933 186 A HA -0.119 4.202 4.320 0.001 0.000 0.218 186 A C 2.373 180.163 177.584 0.343 0.000 1.175 186 A CA 1.813 53.943 52.037 0.155 0.000 0.628 186 A CB -0.677 18.314 19.000 -0.014 0.000 0.814 186 A HN 0.331 nan 8.150 nan 0.000 0.444 187 A N -0.143 122.929 122.820 0.420 0.000 1.933 187 A HA 0.169 4.489 4.320 0.001 0.000 0.218 187 A C 2.491 180.170 177.584 0.160 0.000 1.175 187 A CA 2.032 54.255 52.037 0.310 0.000 0.628 187 A CB -0.951 18.190 19.000 0.235 0.000 0.814 187 A HN 1.006 nan 8.150 nan 0.000 0.444 188 A N -0.058 122.874 122.820 0.187 0.000 1.877 188 A HA -0.154 4.166 4.320 0.001 0.000 0.216 188 A C 2.252 179.884 177.584 0.080 0.000 1.186 188 A CA 1.581 53.684 52.037 0.110 0.000 0.620 188 A CB -0.465 18.674 19.000 0.232 0.000 0.822 188 A HN 0.546 nan 8.150 nan 0.000 0.443 189 R N -0.461 120.103 120.500 0.106 0.000 2.073 189 R HA -0.061 4.280 4.340 0.001 0.000 0.234 189 R C 2.506 178.846 176.300 0.068 0.000 1.134 189 R CA 1.292 57.437 56.100 0.075 0.000 0.952 189 R CB -0.538 29.804 30.300 0.070 0.000 0.850 189 R HN 0.499 nan 8.270 nan 0.000 0.433 190 A N 0.438 123.325 122.820 0.111 0.000 1.908 190 A HA -0.224 4.096 4.320 0.001 0.000 0.218 190 A C 2.208 179.814 177.584 0.036 0.000 1.181 190 A CA 1.984 54.081 52.037 0.100 0.000 0.627 190 A CB -0.728 18.392 19.000 0.200 0.000 0.818 190 A HN 0.344 nan 8.150 nan 0.000 0.445 191 S N -0.450 115.257 115.700 0.013 0.000 2.356 191 S HA -0.111 4.360 4.470 0.001 0.000 0.223 191 S C 1.948 176.525 174.600 -0.038 0.000 1.032 191 S CA 1.441 59.614 58.200 -0.045 0.000 1.005 191 S CB -0.515 62.628 63.200 -0.095 0.000 0.867 191 S HN 0.495 nan 8.310 nan 0.000 0.449 192 L N 0.904 122.117 121.223 -0.016 0.000 2.079 192 L HA -0.129 4.212 4.340 0.001 0.000 0.210 192 L C 2.870 179.734 176.870 -0.010 0.000 1.081 192 L CA 1.326 56.160 54.840 -0.012 0.000 0.752 192 L CB -0.615 41.448 42.059 0.007 0.000 0.896 192 L HN 0.461 nan 8.230 nan 0.000 0.433 193 A N -0.502 122.317 122.820 -0.002 0.000 1.930 193 A HA -0.140 4.181 4.320 0.001 0.000 0.215 193 A C 2.361 179.938 177.584 -0.013 0.000 1.176 193 A CA 1.830 53.866 52.037 -0.002 0.000 0.632 193 A CB -0.528 18.477 19.000 0.009 0.000 0.819 193 A HN 0.499 nan 8.150 nan 0.000 0.445 194 T N -5.643 108.898 114.554 -0.022 0.000 3.034 194 T HA 0.413 4.763 4.350 0.001 0.000 0.248 194 T C 1.527 176.196 174.700 -0.052 0.000 1.040 194 T CA 1.249 63.328 62.100 -0.034 0.000 1.107 194 T CB 0.197 69.044 68.868 -0.036 0.000 0.932 194 T HN 1.642 nan 8.240 nan 0.000 0.474 195 G N 0.772 109.534 108.800 -0.064 0.000 2.176 195 G HA2 -0.198 3.763 3.960 0.001 0.000 0.232 195 G HA3 -0.198 3.763 3.960 0.001 0.000 0.232 195 G C 0.067 174.895 174.900 -0.120 0.000 0.986 195 G CA -0.066 44.986 45.100 -0.080 0.000 0.643 195 G HN 0.713 nan 8.290 nan 0.000 0.522 196 V N 3.508 123.346 119.914 -0.127 0.000 2.555 196 V HA 0.407 4.527 4.120 0.001 0.000 0.286 196 V C -0.921 175.036 176.094 -0.229 0.000 1.044 196 V CA -0.920 61.275 62.300 -0.175 0.000 1.026 196 V CB 1.297 33.038 31.823 -0.137 0.000 0.981 196 V HN 0.240 nan 8.190 nan 0.000 0.480 197 P HA 0.224 nan 4.420 nan 0.000 0.273 197 P C -0.941 176.188 177.300 -0.286 0.000 1.250 197 P CA -0.139 62.685 63.100 -0.460 0.000 0.793 197 P CB 0.720 31.702 31.700 -1.197 0.000 1.011 198 V N 0.018 119.840 119.914 -0.154 0.000 2.540 198 V HA 0.512 4.632 4.120 0.001 0.000 0.302 198 V C 0.225 176.404 176.094 0.142 0.000 1.035 198 V CA -0.292 61.966 62.300 -0.071 0.000 0.873 198 V CB 1.748 33.425 31.823 -0.243 0.000 0.992 198 V HN 0.611 nan 8.190 nan 0.000 0.428 199 T N 2.912 117.552 114.554 0.145 0.000 2.861 199 T HA 0.717 5.067 4.350 0.001 0.000 0.287 199 T C -0.311 174.484 174.700 0.158 0.000 1.003 199 T CA -0.116 62.099 62.100 0.190 0.000 0.977 199 T CB 1.489 70.477 68.868 0.201 0.000 0.996 199 T HN 1.055 nan 8.240 nan 0.000 0.448 200 T N 1.289 115.936 114.554 0.155 0.000 2.930 200 T HA 0.567 4.918 4.350 0.001 0.000 0.290 200 T C -0.870 173.907 174.700 0.128 0.000 1.052 200 T CA -0.751 61.463 62.100 0.191 0.000 1.017 200 T CB 1.403 70.411 68.868 0.232 0.000 1.137 200 T HN 0.753 nan 8.240 nan 0.000 0.511 201 H N 0.613 119.768 119.070 0.141 0.000 2.459 201 H HA 0.637 5.193 4.556 0.001 0.000 0.332 201 H C 0.005 175.451 175.328 0.196 0.000 1.094 201 H CA -0.297 55.852 56.048 0.169 0.000 1.224 201 H CB 1.199 31.281 29.762 0.534 0.000 1.449 201 H HN 1.033 nan 8.280 nan 0.000 0.484 202 T N 1.667 116.303 114.554 0.137 0.000 2.907 202 T HA 0.674 5.025 4.350 0.001 0.000 0.290 202 T C -0.462 174.325 174.700 0.144 0.000 1.066 202 T CA -0.857 61.344 62.100 0.169 0.000 1.012 202 T CB 1.564 70.484 68.868 0.087 0.000 1.184 202 T HN 0.673 nan 8.240 nan 0.000 0.522 203 A N 0.761 123.648 122.820 0.112 0.000 2.690 203 A HA 0.742 5.062 4.320 0.001 0.000 0.342 203 A C 1.571 179.156 177.584 0.001 0.000 1.410 203 A CA -0.224 51.848 52.037 0.058 0.000 0.958 203 A CB -0.695 18.323 19.000 0.029 0.000 1.153 203 A HN 1.324 nan 8.150 nan 0.000 0.497 204 A N 1.748 124.576 122.820 0.015 0.000 1.903 204 A HA -0.195 4.125 4.320 0.001 0.000 0.219 204 A C 2.505 179.990 177.584 -0.165 0.000 1.191 204 A CA 2.554 54.590 52.037 -0.002 0.000 0.638 204 A CB -0.880 18.166 19.000 0.078 0.000 0.823 204 A HN 1.630 nan 8.150 nan 0.000 0.451 205 S N -0.713 114.926 115.700 -0.101 0.000 2.469 205 S HA -0.179 4.292 4.470 0.001 0.000 0.238 205 S C 1.511 176.004 174.600 -0.177 0.000 0.998 205 S CA 1.406 59.529 58.200 -0.128 0.000 0.957 205 S CB -0.409 62.755 63.200 -0.060 0.000 0.764 205 S HN 0.714 nan 8.310 nan 0.000 0.514 206 Q N 0.164 119.864 119.800 -0.167 0.000 2.247 206 Q HA 0.313 4.653 4.340 0.001 0.000 0.204 206 Q C -0.208 175.657 176.000 -0.226 0.000 0.872 206 Q CA -0.284 55.424 55.803 -0.158 0.000 0.951 206 Q CB 0.207 28.890 28.738 -0.091 0.000 1.099 206 Q HN 0.505 nan 8.270 nan 0.000 0.501 207 R N 0.573 120.823 120.500 -0.416 0.000 3.770 207 R HA -0.173 4.167 4.340 0.001 0.000 0.305 207 R C -0.259 175.978 176.300 -0.106 0.000 1.184 207 R CA 0.594 56.362 56.100 -0.553 0.000 0.823 207 R CB -1.626 28.421 30.300 -0.423 0.000 1.285 207 R HN 0.308 nan 8.270 nan 0.000 0.499 208 D N -0.031 120.341 120.400 -0.046 0.000 2.190 208 D HA -0.120 4.520 4.640 0.001 0.000 0.200 208 D C 1.991 178.312 176.300 0.035 0.000 0.992 208 D CA 1.725 55.728 54.000 0.004 0.000 0.854 208 D CB -0.342 40.476 40.800 0.030 0.000 0.936 208 D HN 0.609 nan 8.370 nan 0.000 0.462 209 G N 0.626 109.509 108.800 0.138 0.000 2.503 209 G HA2 -0.335 3.625 3.960 0.001 0.000 0.221 209 G HA3 -0.335 3.625 3.960 0.001 0.000 0.221 209 G C 1.562 176.429 174.900 -0.056 0.000 1.131 209 G CA 0.909 46.038 45.100 0.049 0.000 0.756 209 G HN 0.312 nan 8.290 nan 0.000 0.572 210 E N -0.471 119.762 120.200 0.054 0.000 2.051 210 E HA -0.176 4.174 4.350 0.001 0.000 0.192 210 E C 2.474 179.035 176.600 -0.066 0.000 0.991 210 E CA 1.286 57.683 56.400 -0.004 0.000 0.799 210 E CB -0.138 29.603 29.700 0.069 0.000 0.748 210 E HN 0.648 nan 8.360 nan 0.000 0.449 211 Q N 0.425 120.185 119.800 -0.067 0.000 2.119 211 Q HA -0.212 4.128 4.340 0.001 0.000 0.201 211 Q C 2.059 177.946 176.000 -0.189 0.000 0.972 211 Q CA 1.238 56.982 55.803 -0.098 0.000 0.847 211 Q CB 0.141 28.832 28.738 -0.078 0.000 0.903 211 Q HN 0.305 nan 8.270 nan 0.000 0.433 212 Q N -0.098 119.560 119.800 -0.238 0.000 2.050 212 Q HA -0.166 4.174 4.340 0.001 0.000 0.202 212 Q C 2.169 177.814 176.000 -0.592 0.000 0.980 212 Q CA 1.435 56.949 55.803 -0.481 0.000 0.840 212 Q CB -0.249 28.300 28.738 -0.315 0.000 0.898 212 Q HN 0.502 nan 8.270 nan 0.000 0.424 213 A N 1.244 123.886 122.820 -0.296 0.000 1.940 213 A HA -0.182 4.138 4.320 0.001 0.000 0.219 213 A C 2.318 179.924 177.584 0.037 0.000 1.176 213 A CA 1.725 53.698 52.037 -0.106 0.000 0.631 213 A CB -0.829 17.941 19.000 -0.383 0.000 0.814 213 A HN 0.418 nan 8.150 nan 0.000 0.446 214 A N -0.148 122.639 122.820 -0.055 0.000 1.902 214 A HA -0.085 4.236 4.320 0.001 0.000 0.217 214 A C 2.120 179.691 177.584 -0.021 0.000 1.181 214 A CA 1.576 53.605 52.037 -0.013 0.000 0.623 214 A CB -0.576 18.401 19.000 -0.038 0.000 0.818 214 A HN 0.517 nan 8.150 nan 0.000 0.443 215 I N -1.761 118.730 120.570 -0.133 0.000 2.202 215 I HA -0.189 3.982 4.170 0.001 0.000 0.242 215 I C 2.154 178.279 176.117 0.014 0.000 1.091 215 I CA 1.052 62.273 61.300 -0.132 0.000 1.368 215 I CB -0.374 37.463 38.000 -0.272 0.000 1.058 215 I HN 0.241 nan 8.210 nan 0.000 0.410 216 F N 1.303 121.301 119.950 0.080 0.000 2.186 216 F HA -0.148 4.379 4.527 0.001 0.000 0.299 216 F C 2.520 178.381 175.800 0.101 0.000 1.090 216 F CA 1.117 59.179 58.000 0.104 0.000 1.307 216 F CB -0.963 38.135 39.000 0.164 0.000 1.019 216 F HN 0.102 nan 8.300 nan 0.000 0.489 217 E N -0.216 120.174 120.200 0.316 0.000 2.106 217 E HA -0.161 4.189 4.350 0.001 0.000 0.192 217 E C 2.323 179.003 176.600 0.134 0.000 0.984 217 E CA 1.404 57.928 56.400 0.206 0.000 0.806 217 E CB -0.227 29.587 29.700 0.189 0.000 0.750 217 E HN 0.346 nan 8.360 nan 0.000 0.458 218 S N 0.807 116.575 115.700 0.114 0.000 2.442 218 S HA -0.126 4.345 4.470 0.001 0.000 0.236 218 S C 1.554 176.203 174.600 0.081 0.000 1.007 218 S CA 0.826 59.073 58.200 0.077 0.000 0.965 218 S CB -0.003 63.229 63.200 0.053 0.000 0.773 218 S HN 0.125 nan 8.310 nan 0.000 0.504 219 E N 0.547 120.816 120.200 0.115 0.000 2.479 219 E HA 0.216 4.567 4.350 0.001 0.000 0.193 219 E C 1.396 178.049 176.600 0.089 0.000 1.049 219 E CA 0.548 57.012 56.400 0.106 0.000 0.870 219 E CB 0.146 29.930 29.700 0.140 0.000 0.944 219 E HN 0.730 nan 8.360 nan 0.000 0.492 220 G N 1.598 110.451 108.800 0.089 0.000 2.176 220 G HA2 -0.272 3.688 3.960 0.001 0.000 0.253 220 G HA3 -0.272 3.688 3.960 0.001 0.000 0.253 220 G C 0.138 175.071 174.900 0.054 0.000 0.979 220 G CA 0.262 45.399 45.100 0.061 0.000 0.641 220 G HN 0.254 nan 8.290 nan 0.000 0.530 221 L N 2.126 123.399 121.223 0.083 0.000 2.453 221 L HA 0.639 4.979 4.340 0.001 0.000 0.272 221 L C 0.987 177.869 176.870 0.020 0.000 1.182 221 L CA 0.484 55.348 54.840 0.040 0.000 0.858 221 L CB 1.263 43.338 42.059 0.027 0.000 1.120 221 L HN 0.374 nan 8.230 nan 0.000 0.474 222 S N 6.188 121.867 115.700 -0.035 0.000 2.505 222 S HA 0.344 4.815 4.470 0.001 0.000 0.276 222 S C -1.533 172.975 174.600 -0.154 0.000 1.274 222 S CA -1.109 57.045 58.200 -0.077 0.000 1.053 222 S CB 0.747 63.907 63.200 -0.068 0.000 0.919 222 S HN 0.620 nan 8.310 nan 0.000 0.490 223 P HA -0.142 nan 4.420 nan 0.000 0.217 223 P C 1.438 178.514 177.300 -0.373 0.000 1.148 223 P CA 1.340 63.987 63.100 -0.755 0.000 0.834 223 P CB -0.206 30.630 31.700 -1.440 0.000 0.783 224 S N -1.651 113.928 115.700 -0.202 0.000 2.584 224 S HA -0.054 4.417 4.470 0.001 0.000 0.240 224 S C 1.530 176.156 174.600 0.044 0.000 0.975 224 S CA 0.559 58.722 58.200 -0.062 0.000 0.949 224 S CB -0.642 62.533 63.200 -0.042 0.000 0.761 224 S HN 0.012 nan 8.310 nan 0.000 0.536 225 R N 0.581 121.088 120.500 0.012 0.000 2.397 225 R HA 0.427 4.767 4.340 0.001 0.000 0.241 225 R C -0.504 175.875 176.300 0.132 0.000 0.914 225 R CA -0.047 56.067 56.100 0.025 0.000 1.071 225 R CB 0.137 30.385 30.300 -0.087 0.000 1.116 225 R HN 0.374 nan 8.270 nan 0.000 0.524 226 V N 0.693 120.726 119.914 0.199 0.000 2.540 226 V HA 0.300 4.420 4.120 0.001 0.000 0.302 226 V C -0.308 175.939 176.094 0.254 0.000 1.035 226 V CA -1.306 61.139 62.300 0.241 0.000 0.873 226 V CB 2.359 34.332 31.823 0.251 0.000 0.992 226 V HN 0.146 nan 8.190 nan 0.000 0.428 227 C N 7.168 126.570 119.300 0.170 0.000 2.281 227 C HA 0.615 5.075 4.460 0.001 0.000 0.323 227 C C -0.282 174.716 174.990 0.013 0.000 1.270 227 C CA -0.619 58.346 59.018 -0.087 0.000 1.559 227 C CB -0.400 27.075 27.740 -0.441 0.000 2.239 227 C HN 0.704 nan 8.230 nan 0.000 0.488 228 I N 6.750 127.312 120.570 -0.013 0.000 2.291 228 I HA 0.328 4.498 4.170 0.001 0.000 0.292 228 I C 1.179 177.239 176.117 -0.094 0.000 1.064 228 I CA 0.419 61.703 61.300 -0.027 0.000 1.269 228 I CB 0.110 38.064 38.000 -0.077 0.000 1.418 228 I HN 0.909 nan 8.210 nan 0.000 0.485 229 G N 4.553 113.265 108.800 -0.146 0.000 2.547 229 G HA2 0.340 4.300 3.960 0.001 0.000 0.291 229 G HA3 0.340 4.300 3.960 0.001 0.000 0.291 229 G C 0.176 174.836 174.900 -0.401 0.000 1.211 229 G CA -0.215 44.693 45.100 -0.320 0.000 0.950 229 G HN 0.764 nan 8.290 nan 0.000 0.504 230 H N -1.136 117.715 119.070 -0.364 0.000 2.861 230 H HA -0.154 4.403 4.556 0.001 0.000 0.289 230 H C 1.897 177.072 175.328 -0.254 0.000 1.176 230 H CA 0.470 56.182 56.048 -0.560 0.000 1.146 230 H CB -1.824 27.544 29.762 -0.658 0.000 1.330 230 H HN 0.337 nan 8.280 nan 0.000 0.379 231 S N 0.118 115.777 115.700 -0.068 0.000 2.481 231 S HA -0.095 4.376 4.470 0.001 0.000 0.231 231 S C 1.719 176.344 174.600 0.041 0.000 0.996 231 S CA 0.920 59.128 58.200 0.012 0.000 0.942 231 S CB 0.068 63.255 63.200 -0.021 0.000 0.768 231 S HN 0.704 nan 8.310 nan 0.000 0.520 232 D N 0.914 121.327 120.400 0.021 0.000 2.363 232 D HA -0.077 4.563 4.640 0.001 0.000 0.226 232 D C 0.218 176.561 176.300 0.073 0.000 1.020 232 D CA 0.403 54.437 54.000 0.057 0.000 0.892 232 D CB -0.281 40.562 40.800 0.072 0.000 0.900 232 D HN 0.149 nan 8.370 nan 0.000 0.531 233 D N 0.169 120.609 120.400 0.066 0.000 2.363 233 D HA -0.005 4.635 4.640 0.001 0.000 0.226 233 D C 0.348 176.684 176.300 0.060 0.000 1.020 233 D CA 0.612 54.658 54.000 0.076 0.000 0.892 233 D CB 0.297 41.144 40.800 0.078 0.000 0.900 233 D HN 0.193 nan 8.370 nan 0.000 0.531 234 T N -1.079 113.517 114.554 0.070 0.000 2.916 234 T HA 0.192 4.543 4.350 0.001 0.000 0.292 234 T C -0.269 174.471 174.700 0.067 0.000 1.055 234 T CA -0.777 61.358 62.100 0.057 0.000 1.009 234 T CB 1.594 70.496 68.868 0.056 0.000 1.118 234 T HN -0.285 nan 8.240 nan 0.000 0.497 235 D N 1.440 121.871 120.400 0.051 0.000 2.369 235 D HA 0.100 4.740 4.640 0.001 0.000 0.211 235 D C -0.244 176.090 176.300 0.058 0.000 1.077 235 D CA 0.011 54.041 54.000 0.050 0.000 0.842 235 D CB 0.426 41.247 40.800 0.035 0.000 0.947 235 D HN 0.496 nan 8.370 nan 0.000 0.509 236 D N 1.539 121.983 120.400 0.073 0.000 2.470 236 D HA 0.000 4.641 4.640 0.001 0.000 0.226 236 D C 1.280 177.660 176.300 0.133 0.000 1.196 236 D CA -0.316 53.739 54.000 0.092 0.000 0.979 236 D CB 0.546 41.389 40.800 0.072 0.000 1.059 236 D HN -0.067 nan 8.370 nan 0.000 0.515 237 L N 3.358 124.633 121.223 0.086 0.000 2.127 237 L HA -0.174 4.166 4.340 0.001 0.000 0.211 237 L C 2.275 179.177 176.870 0.054 0.000 1.089 237 L CA 1.899 56.777 54.840 0.065 0.000 0.757 237 L CB -0.497 41.594 42.059 0.053 0.000 0.899 237 L HN 0.458 nan 8.230 nan 0.000 0.434 238 S N -1.801 113.943 115.700 0.073 0.000 2.447 238 S HA -0.261 4.210 4.470 0.001 0.000 0.233 238 S C 2.074 176.724 174.600 0.083 0.000 1.006 238 S CA 1.028 59.267 58.200 0.064 0.000 0.957 238 S CB -0.907 62.331 63.200 0.063 0.000 0.773 238 S HN 0.626 nan 8.310 nan 0.000 0.507 239 Y N 2.181 122.469 120.300 -0.020 0.000 2.243 239 Y HA 0.225 4.775 4.550 0.001 0.000 0.293 239 Y C 1.835 177.704 175.900 -0.051 0.000 1.124 239 Y CA 0.938 59.019 58.100 -0.032 0.000 1.159 239 Y CB -0.481 37.962 38.460 -0.029 0.000 1.008 239 Y HN 0.214 nan 8.280 nan 0.000 0.527 240 L N 0.201 121.234 121.223 -0.317 0.000 2.046 240 L HA -0.183 4.157 4.340 0.001 0.000 0.208 240 L C 2.607 179.277 176.870 -0.332 0.000 1.077 240 L CA 2.000 56.594 54.840 -0.410 0.000 0.747 240 L CB -1.266 40.682 42.059 -0.185 0.000 0.896 240 L HN 0.399 nan 8.230 nan 0.000 0.432 241 T N -2.553 111.871 114.554 -0.217 0.000 2.915 241 T HA -0.071 4.279 4.350 0.001 0.000 0.269 241 T C 1.883 176.432 174.700 -0.251 0.000 1.071 241 T CA 0.882 62.828 62.100 -0.257 0.000 1.132 241 T CB -0.235 68.601 68.868 -0.052 0.000 0.878 241 T HN 0.310 nan 8.240 nan 0.000 0.479 242 A N 1.332 124.054 122.820 -0.164 0.000 1.968 242 A HA 0.291 4.612 4.320 0.001 0.000 0.217 242 A C 2.377 179.894 177.584 -0.111 0.000 1.169 242 A CA 0.861 52.840 52.037 -0.097 0.000 0.638 242 A CB -0.673 18.303 19.000 -0.040 0.000 0.812 242 A HN 0.534 nan 8.150 nan 0.000 0.446 243 L N -0.958 120.143 121.223 -0.203 0.000 2.095 243 L HA -0.091 4.250 4.340 0.001 0.000 0.204 243 L C 3.076 179.906 176.870 -0.066 0.000 1.080 243 L CA 0.889 55.654 54.840 -0.125 0.000 0.759 243 L CB -0.539 41.341 42.059 -0.299 0.000 0.914 243 L HN 0.405 nan 8.230 nan 0.000 0.439 244 A N 0.312 122.955 122.820 -0.294 0.000 1.940 244 A HA -0.194 4.126 4.320 0.001 0.000 0.219 244 A C 2.522 179.908 177.584 -0.330 0.000 1.176 244 A CA 1.759 53.533 52.037 -0.437 0.000 0.631 244 A CB -0.685 17.761 19.000 -0.924 0.000 0.814 244 A HN 0.397 nan 8.150 nan 0.000 0.446 245 A N -0.173 122.471 122.820 -0.293 0.000 1.972 245 A HA -0.163 4.157 4.320 0.001 0.000 0.219 245 A C 2.158 179.773 177.584 0.052 0.000 1.169 245 A CA 1.520 53.567 52.037 0.018 0.000 0.635 245 A CB -0.409 18.622 19.000 0.050 0.000 0.810 245 A HN 0.568 nan 8.150 nan 0.000 0.446 246 R N -1.716 118.808 120.500 0.040 0.000 2.307 246 R HA 0.191 4.532 4.340 0.001 0.000 0.199 246 R C 1.380 177.640 176.300 -0.066 0.000 1.000 246 R CA 0.610 56.742 56.100 0.053 0.000 1.023 246 R CB -0.028 30.382 30.300 0.183 0.000 0.908 246 R HN 0.682 nan 8.270 nan 0.000 0.473 247 G N -0.842 107.915 108.800 -0.070 0.000 2.231 247 G HA2 -0.253 3.707 3.960 0.001 0.000 0.206 247 G HA3 -0.253 3.707 3.960 0.001 0.000 0.206 247 G C -0.139 174.636 174.900 -0.207 0.000 0.996 247 G CA -0.621 44.386 45.100 -0.154 0.000 0.645 247 G HN 0.177 nan 8.290 nan 0.000 0.498 248 Y N 0.304 120.582 120.300 -0.037 0.000 2.426 248 Y HA 0.537 5.087 4.550 0.001 0.000 0.344 248 Y C 1.183 177.032 175.900 -0.086 0.000 1.256 248 Y CA -0.070 58.003 58.100 -0.046 0.000 1.451 248 Y CB 0.402 38.832 38.460 -0.051 0.000 1.342 248 Y HN 0.160 nan 8.280 nan 0.000 0.600 249 L N 3.312 124.578 121.223 0.071 0.000 2.325 249 L HA 0.340 4.680 4.340 0.001 0.000 0.279 249 L C -0.726 176.090 176.870 -0.090 0.000 1.054 249 L CA -0.293 54.501 54.840 -0.078 0.000 0.804 249 L CB 0.791 42.697 42.059 -0.255 0.000 1.200 249 L HN 0.368 nan 8.230 nan 0.000 0.436 250 I N 2.281 122.780 120.570 -0.119 0.000 2.339 250 I HA 0.352 4.522 4.170 0.001 0.000 0.290 250 I C 0.633 176.675 176.117 -0.125 0.000 0.994 250 I CA -0.344 60.883 61.300 -0.122 0.000 1.191 250 I CB 1.085 39.012 38.000 -0.122 0.000 1.343 250 I HN 0.609 nan 8.210 nan 0.000 0.458 251 G N 7.269 115.991 108.800 -0.130 0.000 2.356 251 G HA2 0.563 4.524 3.960 0.001 0.000 0.312 251 G HA3 0.563 4.524 3.960 0.001 0.000 0.312 251 G C -0.274 174.570 174.900 -0.093 0.000 1.096 251 G CA -0.441 44.585 45.100 -0.123 0.000 0.950 251 G HN 0.549 nan 8.290 nan 0.000 0.428 252 L N 3.198 124.394 121.223 -0.046 0.000 2.407 252 L HA 0.284 4.624 4.340 0.001 0.000 0.261 252 L C 0.086 176.967 176.870 0.018 0.000 1.108 252 L CA -0.581 54.257 54.840 -0.004 0.000 0.995 252 L CB 0.795 42.873 42.059 0.032 0.000 1.349 252 L HN 0.718 nan 8.230 nan 0.000 0.423 253 D N -2.521 117.862 120.400 -0.028 0.000 2.469 253 D HA -0.024 4.616 4.640 0.001 0.000 0.213 253 D C 0.978 177.305 176.300 0.045 0.000 1.135 253 D CA 0.035 54.030 54.000 -0.009 0.000 0.834 253 D CB 0.122 40.856 40.800 -0.110 0.000 1.009 253 D HN 0.414 nan 8.370 nan 0.000 0.507 254 H N 0.525 119.519 119.070 -0.127 0.000 2.486 254 H HA 0.209 4.766 4.556 0.001 0.000 0.284 254 H C 1.175 176.466 175.328 -0.061 0.000 1.103 254 H CA -0.533 55.307 56.048 -0.347 0.000 1.089 254 H CB 0.657 30.153 29.762 -0.442 0.000 1.603 254 H HN 0.002 nan 8.280 nan 0.000 0.557 255 I N 1.847 122.522 120.570 0.174 0.000 2.091 255 I HA -0.227 3.943 4.170 0.001 0.000 0.240 255 I C -0.637 175.578 176.117 0.163 0.000 1.046 255 I CA 1.446 62.887 61.300 0.234 0.000 1.306 255 I CB -2.271 35.930 38.000 0.335 0.000 1.018 255 I HN 0.301 nan 8.210 nan 0.000 0.404 256 P HA -0.060 nan 4.420 nan 0.000 0.245 256 P C 0.209 177.405 177.300 -0.173 0.000 1.212 256 P CA 0.677 63.373 63.100 -0.673 0.000 0.774 256 P CB -0.498 30.381 31.700 -1.368 0.000 0.999 257 H N 0.507 119.512 119.070 -0.108 0.000 2.864 257 H HA 0.372 4.929 4.556 0.001 0.000 0.281 257 H C 0.048 175.366 175.328 -0.018 0.000 1.093 257 H CA 0.020 56.030 56.048 -0.064 0.000 1.453 257 H CB 0.588 30.240 29.762 -0.184 0.000 1.462 257 H HN 0.025 nan 8.280 nan 0.000 0.480 258 S N 2.290 118.033 115.700 0.072 0.000 2.592 258 S HA 0.399 4.869 4.470 0.001 0.000 0.275 258 S C -0.115 174.514 174.600 0.049 0.000 1.169 258 S CA -0.433 57.814 58.200 0.078 0.000 0.958 258 S CB 1.105 64.375 63.200 0.117 0.000 1.095 258 S HN 0.693 nan 8.310 nan 0.000 0.471 259 A N 5.020 127.866 122.820 0.044 0.000 2.462 259 A HA 0.428 4.749 4.320 0.001 0.000 0.261 259 A C 0.566 178.173 177.584 0.039 0.000 1.323 259 A CA -0.318 51.741 52.037 0.036 0.000 0.913 259 A CB -0.480 18.539 19.000 0.032 0.000 1.028 259 A HN 0.835 nan 8.150 nan 0.000 0.511 260 I N 1.059 121.657 120.570 0.047 0.000 2.752 260 I HA 0.057 4.228 4.170 0.001 0.000 0.286 260 I C 1.441 177.584 176.117 0.042 0.000 1.180 260 I CA 1.578 62.904 61.300 0.044 0.000 1.404 260 I CB 0.091 38.121 38.000 0.049 0.000 1.389 260 I HN 0.563 nan 8.210 nan 0.000 0.549 261 G N 5.518 114.337 108.800 0.033 0.000 2.137 261 G HA2 -0.247 3.714 3.960 0.001 0.000 0.237 261 G HA3 -0.247 3.714 3.960 0.001 0.000 0.237 261 G C 0.283 175.200 174.900 0.028 0.000 1.002 261 G CA -0.187 44.931 45.100 0.030 0.000 0.702 261 G HN 0.614 nan 8.290 nan 0.000 0.515 262 L N 0.000 121.239 121.223 0.027 0.000 3.429 262 L HA 0.246 4.587 4.340 0.001 0.000 0.311 262 L C 2.026 178.910 176.870 0.023 0.000 1.274 262 L CA 0.608 55.463 54.840 0.025 0.000 1.037 262 L CB 0.368 42.444 42.059 0.028 0.000 1.433 262 L HN 0.490 nan 8.230 nan 0.000 0.614 263 E N -0.161 120.052 120.200 0.021 0.000 2.510 263 E HA -0.220 4.131 4.350 0.001 0.000 0.202 263 E C 0.359 176.968 176.600 0.016 0.000 1.072 263 E CA 1.341 57.752 56.400 0.020 0.000 0.883 263 E CB -0.106 29.606 29.700 0.020 0.000 0.818 263 E HN 0.557 nan 8.360 nan 0.000 0.548 264 D N 0.612 121.020 120.400 0.014 0.000 2.378 264 D HA -0.084 4.557 4.640 0.001 0.000 0.227 264 D C 0.150 176.455 176.300 0.009 0.000 1.012 264 D CA 0.390 54.396 54.000 0.010 0.000 0.905 264 D CB -0.014 40.791 40.800 0.009 0.000 0.895 264 D HN 0.032 nan 8.370 nan 0.000 0.532 265 N N 0.092 118.800 118.700 0.013 0.000 2.573 265 N HA 0.350 5.091 4.740 0.001 0.000 0.262 265 N C 0.528 176.051 175.510 0.022 0.000 1.029 265 N CA -0.394 52.664 53.050 0.014 0.000 0.882 265 N CB 1.265 39.762 38.487 0.016 0.000 1.204 265 N HN -0.053 nan 8.380 nan 0.000 0.519 266 A N 2.520 125.350 122.820 0.017 0.000 1.892 266 A HA -0.205 4.115 4.320 0.001 0.000 0.218 266 A C 2.185 179.798 177.584 0.048 0.000 1.188 266 A CA 2.468 54.519 52.037 0.024 0.000 0.631 266 A CB -0.909 18.097 19.000 0.011 0.000 0.822 266 A HN 0.761 nan 8.150 nan 0.000 0.447 267 S N 0.206 115.933 115.700 0.044 0.000 2.359 267 S HA -0.047 4.423 4.470 0.001 0.000 0.224 267 S C 2.132 176.841 174.600 0.182 0.000 1.035 267 S CA 1.790 60.048 58.200 0.097 0.000 1.018 267 S CB -0.770 62.420 63.200 -0.017 0.000 0.876 267 S HN 1.049 nan 8.310 nan 0.000 0.448 268 A N 1.155 124.040 122.820 0.108 0.000 1.930 268 A HA 0.074 4.394 4.320 0.001 0.000 0.217 268 A C 2.498 180.119 177.584 0.062 0.000 1.175 268 A CA 1.730 53.820 52.037 0.087 0.000 0.627 268 A CB -1.255 17.776 19.000 0.051 0.000 0.815 268 A HN 0.572 nan 8.150 nan 0.000 0.443 269 S N -0.296 115.438 115.700 0.056 0.000 2.368 269 S HA -0.066 4.404 4.470 0.001 0.000 0.225 269 S C 2.311 176.941 174.600 0.050 0.000 1.030 269 S CA 1.244 59.472 58.200 0.045 0.000 0.999 269 S CB -0.416 62.807 63.200 0.038 0.000 0.844 269 S HN 0.785 nan 8.310 nan 0.000 0.459 270 A N 0.829 123.691 122.820 0.071 0.000 1.902 270 A HA -0.036 4.285 4.320 0.001 0.000 0.217 270 A C 2.140 179.762 177.584 0.065 0.000 1.181 270 A CA 1.372 53.456 52.037 0.079 0.000 0.623 270 A CB -0.625 18.447 19.000 0.120 0.000 0.818 270 A HN 0.447 nan 8.150 nan 0.000 0.443 271 L N -0.675 120.578 121.223 0.051 0.000 2.023 271 L HA 0.006 4.347 4.340 0.001 0.000 0.205 271 L C 2.250 179.105 176.870 -0.025 0.000 1.073 271 L CA 1.582 56.389 54.840 -0.054 0.000 0.745 271 L CB -0.200 41.709 42.059 -0.250 0.000 0.900 271 L HN 0.377 nan 8.230 nan 0.000 0.435 272 L N -0.853 120.366 121.223 -0.007 0.000 2.307 272 L HA 0.319 4.660 4.340 0.001 0.000 0.211 272 L C 1.206 178.101 176.870 0.042 0.000 1.099 272 L CA 0.279 55.128 54.840 0.016 0.000 0.816 272 L CB -0.896 41.157 42.059 -0.011 0.000 0.952 272 L HN 0.501 nan 8.230 nan 0.000 0.455 273 G N 1.237 110.059 108.800 0.037 0.000 2.728 273 G HA2 -0.244 3.717 3.960 0.001 0.000 0.294 273 G HA3 -0.244 3.717 3.960 0.001 0.000 0.294 273 G C 0.036 174.961 174.900 0.042 0.000 1.342 273 G CA -0.112 45.012 45.100 0.041 0.000 0.866 273 G HN 0.335 nan 8.290 nan 0.000 0.534 274 I N -2.384 118.209 120.570 0.038 0.000 3.817 274 I HA 0.433 4.604 4.170 0.001 0.000 0.325 274 I C 0.636 176.772 176.117 0.033 0.000 1.550 274 I CA -0.670 60.650 61.300 0.035 0.000 1.100 274 I CB 0.085 38.101 38.000 0.027 0.000 1.216 274 I HN 0.369 nan 8.210 nan 0.000 0.481 275 R N 1.949 122.473 120.500 0.040 0.000 2.500 275 R HA 0.447 4.787 4.340 0.001 0.000 0.277 275 R C 0.457 176.782 176.300 0.040 0.000 1.026 275 R CA -0.269 55.851 56.100 0.033 0.000 1.058 275 R CB 1.541 31.864 30.300 0.039 0.000 1.078 275 R HN 0.428 nan 8.270 nan 0.000 0.509 276 S N 1.926 117.629 115.700 0.004 0.000 2.632 276 S HA 0.071 4.542 4.470 0.001 0.000 0.267 276 S C 1.365 175.969 174.600 0.007 0.000 1.276 276 S CA -0.978 57.207 58.200 -0.025 0.000 0.998 276 S CB 0.592 63.703 63.200 -0.147 0.000 0.953 276 S HN 0.920 nan 8.310 nan 0.000 0.547 277 W N 1.453 122.749 121.300 -0.006 0.000 2.402 277 W HA -0.115 4.546 4.660 0.001 0.000 0.286 277 W C 1.069 177.547 176.519 -0.068 0.000 1.221 277 W CA 0.964 58.313 57.345 0.007 0.000 1.257 277 W CB -1.113 28.398 29.460 0.085 0.000 1.120 277 W HN 0.676 nan 8.180 nan 0.000 0.551 278 Q N 1.361 120.555 119.800 -1.011 0.000 2.096 278 Q HA -0.140 4.201 4.340 0.001 0.000 0.204 278 Q C 2.323 178.143 176.000 -0.300 0.000 0.982 278 Q CA 3.430 58.605 55.803 -1.046 0.000 0.850 278 Q CB -1.017 27.107 28.738 -1.023 0.000 0.901 278 Q HN 0.162 nan 8.270 nan 0.000 0.422 279 T N 0.308 114.762 114.554 -0.166 0.000 2.746 279 T HA -0.140 4.211 4.350 0.001 0.000 0.267 279 T C 1.700 176.427 174.700 0.044 0.000 1.039 279 T CA 1.409 63.493 62.100 -0.026 0.000 1.142 279 T CB -0.134 68.724 68.868 -0.017 0.000 0.866 279 T HN 0.229 nan 8.240 nan 0.000 0.444 280 R N 0.901 121.444 120.500 0.072 0.000 2.066 280 R HA 0.060 4.401 4.340 0.001 0.000 0.232 280 R C 2.876 179.270 176.300 0.156 0.000 1.131 280 R CA 1.263 57.438 56.100 0.125 0.000 0.955 280 R CB -0.559 29.843 30.300 0.169 0.000 0.851 280 R HN 0.350 nan 8.270 nan 0.000 0.432 281 A N 1.324 124.263 122.820 0.198 0.000 1.917 281 A HA -0.177 4.144 4.320 0.001 0.000 0.219 281 A C 2.168 179.908 177.584 0.259 0.000 1.182 281 A CA 1.372 53.569 52.037 0.266 0.000 0.633 281 A CB -0.699 18.495 19.000 0.323 0.000 0.819 281 A HN 0.219 nan 8.150 nan 0.000 0.448 282 L N -0.694 120.667 121.223 0.230 0.000 2.187 282 L HA -0.205 4.136 4.340 0.001 0.000 0.213 282 L C 2.436 179.382 176.870 0.125 0.000 1.100 282 L CA 0.880 55.833 54.840 0.188 0.000 0.765 282 L CB -0.518 41.631 42.059 0.151 0.000 0.904 282 L HN 0.402 nan 8.230 nan 0.000 0.437 283 L N -0.540 120.750 121.223 0.112 0.000 2.131 283 L HA -0.232 4.108 4.340 0.001 0.000 0.210 283 L C 2.429 179.351 176.870 0.087 0.000 1.092 283 L CA 1.265 56.157 54.840 0.087 0.000 0.759 283 L CB -0.385 41.722 42.059 0.079 0.000 0.903 283 L HN 0.251 nan 8.230 nan 0.000 0.435 284 I N 0.067 120.702 120.570 0.107 0.000 2.179 284 I HA -0.321 3.849 4.170 0.001 0.000 0.242 284 I C 2.682 178.849 176.117 0.084 0.000 1.088 284 I CA 1.471 62.827 61.300 0.094 0.000 1.357 284 I CB -0.355 37.714 38.000 0.115 0.000 1.051 284 I HN 0.228 nan 8.210 nan 0.000 0.409 285 K N 1.804 122.260 120.400 0.094 0.000 2.057 285 K HA -0.171 4.150 4.320 0.001 0.000 0.207 285 K C 2.215 178.848 176.600 0.055 0.000 1.049 285 K CA 1.523 57.848 56.287 0.063 0.000 0.931 285 K CB -0.211 32.318 32.500 0.048 0.000 0.714 285 K HN 0.252 nan 8.250 nan 0.000 0.440 286 A N 1.316 124.175 122.820 0.064 0.000 1.948 286 A HA -0.152 4.169 4.320 0.001 0.000 0.220 286 A C 2.118 179.747 177.584 0.076 0.000 1.177 286 A CA 1.677 53.751 52.037 0.061 0.000 0.636 286 A CB -0.659 18.378 19.000 0.062 0.000 0.815 286 A HN 0.377 nan 8.150 nan 0.000 0.449 287 L N -1.199 120.076 121.223 0.086 0.000 2.240 287 L HA -0.046 4.295 4.340 0.001 0.000 0.211 287 L C 2.368 179.319 176.870 0.135 0.000 1.106 287 L CA 0.586 55.505 54.840 0.131 0.000 0.793 287 L CB -0.352 41.772 42.059 0.108 0.000 0.927 287 L HN 0.338 nan 8.230 nan 0.000 0.446 288 I N 0.039 120.656 120.570 0.077 0.000 2.142 288 I HA -0.293 3.877 4.170 0.001 0.000 0.240 288 I C 2.000 178.126 176.117 0.016 0.000 1.078 288 I CA 1.320 62.644 61.300 0.041 0.000 1.343 288 I CB -0.280 37.736 38.000 0.026 0.000 1.046 288 I HN 0.228 nan 8.210 nan 0.000 0.405 289 D N 0.465 120.879 120.400 0.023 0.000 2.228 289 D HA -0.199 4.441 4.640 0.001 0.000 0.203 289 D C 1.798 178.095 176.300 -0.005 0.000 0.988 289 D CA 1.085 55.089 54.000 0.006 0.000 0.864 289 D CB -0.242 40.566 40.800 0.014 0.000 0.928 289 D HN 0.507 nan 8.370 nan 0.000 0.469 290 Q N -0.713 119.101 119.800 0.024 0.000 2.320 290 Q HA 0.264 4.604 4.340 0.001 0.000 0.201 290 Q C 0.925 176.778 176.000 -0.244 0.000 0.910 290 Q CA 0.414 56.212 55.803 -0.008 0.000 0.946 290 Q CB 1.008 29.842 28.738 0.160 0.000 1.062 290 Q HN 0.272 nan 8.270 nan 0.000 0.503 291 G N 0.973 109.634 108.800 -0.231 0.000 2.132 291 G HA2 -0.273 3.687 3.960 0.001 0.000 0.234 291 G HA3 -0.273 3.687 3.960 0.001 0.000 0.234 291 G C -0.101 174.512 174.900 -0.479 0.000 0.989 291 G CA -0.207 44.678 45.100 -0.359 0.000 0.676 291 G HN 0.406 nan 8.290 nan 0.000 0.522 292 Y N 0.154 120.447 120.300 -0.012 0.000 2.751 292 Y HA 0.372 4.923 4.550 0.001 0.000 0.289 292 Y C 2.389 178.277 175.900 -0.020 0.000 1.110 292 Y CA 0.206 58.296 58.100 -0.016 0.000 1.251 292 Y CB -0.359 38.091 38.460 -0.017 0.000 1.178 292 Y HN 0.461 nan 8.280 nan 0.000 0.540 293 M N -1.317 118.321 119.600 0.065 0.000 2.202 293 M HA -0.158 4.322 4.480 0.001 0.000 0.262 293 M C 1.467 177.784 176.300 0.029 0.000 1.063 293 M CA 1.871 57.194 55.300 0.038 0.000 1.097 293 M CB -0.309 32.293 32.600 0.004 0.000 1.382 293 M HN -0.002 nan 8.290 nan 0.000 0.413 294 K N 0.134 120.554 120.400 0.033 0.000 2.439 294 K HA -0.052 4.268 4.320 0.001 0.000 0.197 294 K C 1.377 177.993 176.600 0.027 0.000 1.041 294 K CA 0.791 57.092 56.287 0.023 0.000 0.970 294 K CB 0.049 32.561 32.500 0.020 0.000 0.773 294 K HN 0.399 nan 8.250 nan 0.000 0.479 295 Q N 0.129 119.960 119.800 0.053 0.000 2.219 295 Q HA 0.254 4.594 4.340 0.001 0.000 0.209 295 Q C -0.597 175.388 176.000 -0.025 0.000 0.854 295 Q CA -0.008 55.808 55.803 0.022 0.000 0.960 295 Q CB 0.643 29.417 28.738 0.060 0.000 1.116 295 Q HN 0.146 nan 8.270 nan 0.000 0.500 296 I N 0.792 121.352 120.570 -0.017 0.000 2.460 296 I HA 0.350 4.521 4.170 0.001 0.000 0.298 296 I C -0.693 175.384 176.117 -0.066 0.000 0.989 296 I CA -0.786 60.491 61.300 -0.037 0.000 1.173 296 I CB 1.479 39.478 38.000 -0.001 0.000 1.338 296 I HN -0.091 nan 8.210 nan 0.000 0.456 297 L N 6.633 127.803 121.223 -0.088 0.000 2.409 297 L HA 0.640 4.981 4.340 0.001 0.000 0.272 297 L C -0.679 176.169 176.870 -0.036 0.000 0.980 297 L CA -0.933 53.853 54.840 -0.090 0.000 0.826 297 L CB 2.101 44.046 42.059 -0.191 0.000 1.268 297 L HN 0.390 nan 8.230 nan 0.000 0.407 298 V N -0.355 119.564 119.914 0.008 0.000 2.769 298 V HA 0.924 5.045 4.120 0.001 0.000 0.312 298 V C -0.425 175.730 176.094 0.102 0.000 1.061 298 V CA -0.140 62.193 62.300 0.055 0.000 0.931 298 V CB 1.955 33.823 31.823 0.075 0.000 1.010 298 V HN 0.786 nan 8.190 nan 0.000 0.433 299 S N 1.371 117.141 115.700 0.117 0.000 2.727 299 S HA 0.514 4.984 4.470 0.001 0.000 0.278 299 S C 0.034 174.734 174.600 0.165 0.000 1.186 299 S CA -0.339 57.953 58.200 0.152 0.000 0.836 299 S CB 1.993 65.288 63.200 0.159 0.000 1.186 299 S HN 0.914 nan 8.310 nan 0.000 0.499 300 N N 0.800 119.614 118.700 0.191 0.000 2.407 300 N HA 0.085 4.826 4.740 0.001 0.000 0.182 300 N C -0.610 175.122 175.510 0.370 0.000 1.079 300 N CA 0.438 53.625 53.050 0.229 0.000 0.882 300 N CB 0.026 38.608 38.487 0.158 0.000 1.106 300 N HN 0.749 nan 8.380 nan 0.000 0.461 301 D N -0.071 120.524 120.400 0.325 0.000 2.723 301 D HA -0.177 4.464 4.640 0.001 0.000 0.236 301 D C -0.444 176.127 176.300 0.450 0.000 1.138 301 D CA 0.349 54.577 54.000 0.381 0.000 0.676 301 D CB -1.203 39.743 40.800 0.245 0.000 1.069 301 D HN 0.377 nan 8.370 nan 0.000 0.430 302 W N -0.583 120.753 121.300 0.061 0.000 2.181 302 W HA 0.547 5.207 4.660 0.001 0.000 0.415 302 W C 0.007 176.380 176.519 -0.243 0.000 1.689 302 W CA -0.556 56.712 57.345 -0.127 0.000 1.859 302 W CB 0.569 29.904 29.460 -0.207 0.000 1.425 302 W HN 0.067 nan 8.180 nan 0.000 0.713 303 L N -1.202 119.526 121.223 -0.826 0.000 2.869 303 L HA 0.357 4.698 4.340 0.001 0.000 0.265 303 L C -0.790 175.512 176.870 -0.946 0.000 1.011 303 L CA -0.806 53.569 54.840 -0.774 0.000 0.913 303 L CB 0.299 42.009 42.059 -0.581 0.000 1.490 303 L HN 0.307 nan 8.230 nan 0.000 0.410 304 F N -0.343 119.552 119.950 -0.092 0.000 2.704 304 F HA 0.748 5.276 4.527 0.001 0.000 0.304 304 F C 1.159 176.962 175.800 0.006 0.000 1.094 304 F CA -0.031 57.956 58.000 -0.021 0.000 1.275 304 F CB 1.054 40.063 39.000 0.015 0.000 1.073 304 F HN 0.764 nan 8.300 nan 0.000 0.586 305 G N -0.466 108.394 108.800 0.099 0.000 2.718 305 G HA2 0.503 4.464 3.960 0.001 0.000 0.295 305 G HA3 0.503 4.464 3.960 0.001 0.000 0.295 305 G C -2.176 172.902 174.900 0.298 0.000 1.421 305 G CA -0.416 44.838 45.100 0.257 0.000 0.902 305 G HN -0.185 nan 8.290 nan 0.000 0.501 306 F N 2.317 122.434 119.950 0.278 0.000 3.361 306 F HA 0.378 4.905 4.527 0.001 0.000 0.390 306 F C 0.811 176.707 175.800 0.160 0.000 1.251 306 F CA -1.452 56.612 58.000 0.106 0.000 1.260 306 F CB 1.407 40.384 39.000 -0.038 0.000 1.847 306 F HN 0.506 nan 8.300 nan 0.000 0.673 307 S N 0.629 116.524 115.700 0.326 0.000 2.524 307 S HA -0.009 4.462 4.470 0.001 0.000 0.216 307 S C 1.275 175.647 174.600 -0.380 0.000 0.987 307 S CA 0.652 58.673 58.200 -0.298 0.000 0.909 307 S CB -0.240 62.361 63.200 -0.999 0.000 0.781 307 S HN 0.501 nan 8.310 nan 0.000 0.521 308 S N 0.021 115.681 115.700 -0.067 0.000 2.743 308 S HA 0.356 4.827 4.470 0.001 0.000 0.230 308 S C -0.276 174.350 174.600 0.043 0.000 0.950 308 S CA -0.575 57.624 58.200 -0.001 0.000 0.976 308 S CB -0.706 62.582 63.200 0.146 0.000 0.779 308 S HN 0.577 nan 8.310 nan 0.000 0.487 309 Y N 0.525 120.564 120.300 -0.435 0.000 2.889 309 Y HA 0.537 5.087 4.550 0.001 0.000 0.317 309 Y C -0.275 175.414 175.900 -0.351 0.000 1.414 309 Y CA -1.838 55.958 58.100 -0.508 0.000 1.091 309 Y CB 0.927 38.773 38.460 -1.023 0.000 1.358 309 Y HN 0.124 nan 8.280 nan 0.000 0.487 310 V N 0.480 119.924 119.914 -0.783 0.000 2.999 310 V HA 0.257 4.378 4.120 0.001 0.000 0.307 310 V C -0.003 175.945 176.094 -0.244 0.000 1.084 310 V CA -0.440 61.567 62.300 -0.489 0.000 1.155 310 V CB -0.201 31.304 31.823 -0.529 0.000 0.975 310 V HN 0.734 nan 8.190 nan 0.000 0.490 311 T N 4.533 118.998 114.554 -0.148 0.000 2.916 311 T HA 0.228 4.578 4.350 0.001 0.000 0.303 311 T C 0.811 175.431 174.700 -0.133 0.000 1.025 311 T CA 0.957 62.994 62.100 -0.105 0.000 1.142 311 T CB -0.322 68.489 68.868 -0.095 0.000 0.947 311 T HN 1.116 nan 8.240 nan 0.000 0.544 312 N N -0.499 118.114 118.700 -0.145 0.000 2.948 312 N HA -0.179 4.562 4.740 0.001 0.000 0.239 312 N C 0.765 176.236 175.510 -0.066 0.000 0.954 312 N CA 0.482 53.466 53.050 -0.109 0.000 0.941 312 N CB -1.360 37.068 38.487 -0.099 0.000 1.101 312 N HN 0.539 nan 8.380 nan 0.000 0.579 313 I N 0.606 121.134 120.570 -0.070 0.000 2.423 313 I HA -0.181 3.990 4.170 0.001 0.000 0.254 313 I C 2.002 178.119 176.117 0.001 0.000 1.151 313 I CA 1.579 62.860 61.300 -0.031 0.000 1.421 313 I CB -0.133 37.833 38.000 -0.057 0.000 1.079 313 I HN 0.328 nan 8.210 nan 0.000 0.431 314 M N -0.471 119.137 119.600 0.014 0.000 2.159 314 M HA -0.197 4.284 4.480 0.001 0.000 0.263 314 M C 1.801 178.120 176.300 0.030 0.000 1.063 314 M CA 1.501 56.820 55.300 0.032 0.000 1.110 314 M CB -1.036 31.606 32.600 0.070 0.000 1.374 314 M HN 0.234 nan 8.290 nan 0.000 0.411 315 D N 0.198 120.608 120.400 0.016 0.000 2.116 315 D HA -0.140 4.501 4.640 0.001 0.000 0.193 315 D C 2.099 178.420 176.300 0.034 0.000 0.998 315 D CA 1.228 55.242 54.000 0.023 0.000 0.836 315 D CB -0.349 40.451 40.800 0.000 0.000 0.951 315 D HN 0.171 nan 8.370 nan 0.000 0.449 316 V N 0.827 120.754 119.914 0.023 0.000 2.343 316 V HA -0.240 3.881 4.120 0.001 0.000 0.247 316 V C 2.514 178.639 176.094 0.051 0.000 1.051 316 V CA 1.369 63.687 62.300 0.030 0.000 1.036 316 V CB -0.392 31.444 31.823 0.021 0.000 0.654 316 V HN 0.212 nan 8.190 nan 0.000 0.451 317 M N -0.384 119.242 119.600 0.044 0.000 2.175 317 M HA -0.135 4.346 4.480 0.001 0.000 0.264 317 M C 1.780 178.252 176.300 0.286 0.000 1.063 317 M CA 1.523 56.877 55.300 0.089 0.000 1.119 317 M CB -0.494 32.000 32.600 -0.177 0.000 1.377 317 M HN 0.300 nan 8.290 nan 0.000 0.415 318 D N -0.310 120.220 120.400 0.216 0.000 2.348 318 D HA -0.101 4.539 4.640 0.001 0.000 0.216 318 D C 1.880 178.267 176.300 0.145 0.000 0.970 318 D CA 0.849 54.996 54.000 0.245 0.000 0.889 318 D CB -0.197 40.722 40.800 0.198 0.000 0.912 318 D HN 0.351 nan 8.370 nan 0.000 0.524 319 R N 0.335 120.900 120.500 0.108 0.000 2.112 319 R HA 0.005 4.346 4.340 0.001 0.000 0.216 319 R C 1.848 178.182 176.300 0.056 0.000 1.080 319 R CA 0.538 56.679 56.100 0.067 0.000 0.996 319 R CB -0.042 30.289 30.300 0.051 0.000 0.902 319 R HN -0.095 nan 8.270 nan 0.000 0.449 320 V N 0.938 120.895 119.914 0.071 0.000 2.548 320 V HA -0.083 4.038 4.120 0.001 0.000 0.249 320 V C 0.421 176.488 176.094 -0.046 0.000 1.055 320 V CA 1.518 63.839 62.300 0.036 0.000 1.065 320 V CB -0.544 31.312 31.823 0.055 0.000 0.681 320 V HN 0.446 nan 8.190 nan 0.000 0.462 321 N N -0.448 118.217 118.700 -0.058 0.000 2.710 321 N HA 0.231 4.972 4.740 0.001 0.000 0.244 321 N C -2.139 173.240 175.510 -0.220 0.000 1.321 321 N CA -1.334 51.536 53.050 -0.300 0.000 0.758 321 N CB 1.440 39.418 38.487 -0.848 0.000 1.284 321 N HN -0.042 nan 8.380 nan 0.000 0.530 322 P HA -0.033 nan 4.420 nan 0.000 0.225 322 P C 0.182 177.449 177.300 -0.056 0.000 1.148 322 P CA 0.974 64.061 63.100 -0.021 0.000 0.779 322 P CB 0.469 32.168 31.700 -0.001 0.000 0.780 323 D N -0.913 119.414 120.400 -0.123 0.000 2.323 323 D HA 0.049 4.690 4.640 0.001 0.000 0.209 323 D C 1.661 177.842 176.300 -0.198 0.000 0.973 323 D CA 1.152 55.086 54.000 -0.111 0.000 0.874 323 D CB -0.156 40.610 40.800 -0.056 0.000 0.930 323 D HN 0.110 nan 8.370 nan 0.000 0.521 324 G N 1.469 109.996 108.800 -0.454 0.000 2.574 324 G HA2 -0.400 3.561 3.960 0.001 0.000 0.286 324 G HA3 -0.400 3.561 3.960 0.001 0.000 0.286 324 G C 1.014 175.543 174.900 -0.620 0.000 1.212 324 G CA 0.507 45.171 45.100 -0.727 0.000 0.979 324 G HN 0.258 nan 8.290 nan 0.000 0.557 325 M N 1.322 120.795 119.600 -0.212 0.000 2.557 325 M HA 0.151 4.631 4.480 0.001 0.000 0.259 325 M C 2.680 178.949 176.300 -0.051 0.000 1.086 325 M CA 1.488 56.752 55.300 -0.059 0.000 1.096 325 M CB -0.108 32.549 32.600 0.094 0.000 1.424 325 M HN 0.713 nan 8.290 nan 0.000 0.488 326 A N -0.511 122.266 122.820 -0.072 0.000 2.235 326 A HA -0.077 4.244 4.320 0.001 0.000 0.208 326 A C 1.770 179.298 177.584 -0.093 0.000 1.172 326 A CA 0.354 52.337 52.037 -0.091 0.000 0.786 326 A CB -0.885 18.064 19.000 -0.086 0.000 0.804 326 A HN 0.525 nan 8.150 nan 0.000 0.479 327 F N 0.876 120.669 119.950 -0.261 0.000 2.095 327 F HA -0.228 4.299 4.527 0.001 0.000 0.298 327 F C 1.894 177.563 175.800 -0.218 0.000 1.104 327 F CA 1.685 59.501 58.000 -0.306 0.000 1.232 327 F CB -0.034 38.710 39.000 -0.427 0.000 0.987 327 F HN 0.189 nan 8.300 nan 0.000 0.475 328 I N 1.620 122.196 120.570 0.010 0.000 2.091 328 I HA -0.237 3.933 4.170 0.001 0.000 0.239 328 I C -0.301 175.784 176.117 -0.052 0.000 1.061 328 I CA 1.881 63.180 61.300 -0.002 0.000 1.317 328 I CB -3.074 35.028 38.000 0.170 0.000 1.031 328 I HN 0.137 nan 8.210 nan 0.000 0.401 329 P HA -0.079 nan 4.420 nan 0.000 0.219 329 P C 2.302 179.563 177.300 -0.064 0.000 1.150 329 P CA 1.335 64.455 63.100 0.033 0.000 0.814 329 P CB 0.020 31.683 31.700 -0.061 0.000 0.787 330 L N -0.963 120.164 121.223 -0.160 0.000 2.095 330 L HA -0.015 4.325 4.340 0.001 0.000 0.204 330 L C 2.822 179.536 176.870 -0.260 0.000 1.080 330 L CA 1.416 56.146 54.840 -0.183 0.000 0.759 330 L CB -0.431 41.513 42.059 -0.192 0.000 0.914 330 L HN -0.081 nan 8.230 nan 0.000 0.439 331 R N -1.329 118.868 120.500 -0.506 0.000 2.164 331 R HA 0.080 4.420 4.340 0.001 0.000 0.198 331 R C 2.144 178.198 176.300 -0.410 0.000 1.028 331 R CA 0.400 56.124 56.100 -0.626 0.000 1.083 331 R CB -0.077 29.516 30.300 -1.178 0.000 1.026 331 R HN 0.074 nan 8.270 nan 0.000 0.514 332 V N 1.735 121.371 119.914 -0.463 0.000 2.307 332 V HA -0.203 3.918 4.120 0.001 0.000 0.245 332 V C 2.229 178.406 176.094 0.138 0.000 1.045 332 V CA 1.537 63.813 62.300 -0.040 0.000 1.024 332 V CB -0.377 31.448 31.823 0.003 0.000 0.651 332 V HN 0.078 nan 8.190 nan 0.000 0.449 333 I N 0.266 120.872 120.570 0.060 0.000 2.163 333 I HA -0.135 4.035 4.170 0.001 0.000 0.243 333 I C -0.071 176.100 176.117 0.089 0.000 1.085 333 I CA 1.867 63.217 61.300 0.084 0.000 1.347 333 I CB -1.938 36.112 38.000 0.084 0.000 1.044 333 I HN 0.332 nan 8.210 nan 0.000 0.408 334 P HA -0.174 nan 4.420 nan 0.000 0.216 334 P C 2.012 179.392 177.300 0.133 0.000 1.153 334 P CA 1.247 64.397 63.100 0.084 0.000 0.848 334 P CB -0.168 31.571 31.700 0.065 0.000 0.787 335 F N 0.448 120.439 119.950 0.069 0.000 2.095 335 F HA -0.170 4.357 4.527 0.001 0.000 0.298 335 F C 1.924 177.770 175.800 0.078 0.000 1.104 335 F CA 1.568 59.640 58.000 0.119 0.000 1.232 335 F CB -0.909 38.256 39.000 0.276 0.000 0.987 335 F HN -0.264 nan 8.300 nan 0.000 0.475 336 L N -0.404 120.877 121.223 0.096 0.000 2.156 336 L HA -0.135 4.206 4.340 0.001 0.000 0.208 336 L C 2.726 179.548 176.870 -0.081 0.000 1.095 336 L CA 0.723 55.544 54.840 -0.031 0.000 0.770 336 L CB -0.702 41.411 42.059 0.089 0.000 0.914 336 L HN 0.027 nan 8.230 nan 0.000 0.439 337 R N 0.615 121.096 120.500 -0.032 0.000 2.080 337 R HA -0.218 4.123 4.340 0.001 0.000 0.236 337 R C 2.096 178.352 176.300 -0.073 0.000 1.137 337 R CA 1.748 57.827 56.100 -0.035 0.000 0.943 337 R CB -0.407 29.890 30.300 -0.006 0.000 0.846 337 R HN 0.406 nan 8.270 nan 0.000 0.431 338 E N 0.439 120.581 120.200 -0.097 0.000 2.209 338 E HA -0.161 4.190 4.350 0.001 0.000 0.196 338 E C 0.847 177.335 176.600 -0.186 0.000 0.993 338 E CA 1.010 57.335 56.400 -0.124 0.000 0.819 338 E CB 0.193 29.819 29.700 -0.124 0.000 0.745 338 E HN 0.175 nan 8.360 nan 0.000 0.477 339 K N -0.937 119.303 120.400 -0.266 0.000 2.417 339 K HA 0.077 4.398 4.320 0.001 0.000 0.196 339 K C 0.926 177.442 176.600 -0.140 0.000 1.023 339 K CA 0.659 56.794 56.287 -0.254 0.000 1.122 339 K CB 1.054 33.334 32.500 -0.366 0.000 0.850 339 K HN 0.280 nan 8.250 nan 0.000 0.521 340 G N 0.889 109.626 108.800 -0.105 0.000 2.179 340 G HA2 -0.224 3.737 3.960 0.001 0.000 0.220 340 G HA3 -0.224 3.737 3.960 0.001 0.000 0.220 340 G C 0.155 175.025 174.900 -0.050 0.000 0.990 340 G CA -0.212 44.848 45.100 -0.067 0.000 0.646 340 G HN 0.101 nan 8.290 nan 0.000 0.517 341 V N 2.640 122.524 119.914 -0.051 0.000 2.508 341 V HA 0.382 4.502 4.120 0.001 0.000 0.281 341 V C -1.445 174.634 176.094 -0.025 0.000 1.041 341 V CA -1.129 61.153 62.300 -0.030 0.000 1.016 341 V CB 1.074 32.886 31.823 -0.017 0.000 0.984 341 V HN 0.145 nan 8.190 nan 0.000 0.478 342 P HA 0.123 nan 4.420 nan 0.000 0.271 342 P C 0.470 177.760 177.300 -0.017 0.000 1.216 342 P CA -0.109 62.979 63.100 -0.019 0.000 0.771 342 P CB 0.746 32.434 31.700 -0.019 0.000 0.864 343 Q N 2.507 122.299 119.800 -0.014 0.000 2.112 343 Q HA -0.249 4.091 4.340 0.001 0.000 0.206 343 Q C 1.763 177.751 176.000 -0.019 0.000 0.987 343 Q CA 1.958 57.754 55.803 -0.012 0.000 0.858 343 Q CB -0.479 28.256 28.738 -0.006 0.000 0.905 343 Q HN 0.482 nan 8.270 nan 0.000 0.420 344 E N -1.304 118.885 120.200 -0.018 0.000 2.097 344 E HA -0.207 4.143 4.350 0.001 0.000 0.196 344 E C 1.819 178.401 176.600 -0.029 0.000 1.000 344 E CA 1.687 58.074 56.400 -0.022 0.000 0.804 344 E CB -0.046 29.642 29.700 -0.019 0.000 0.740 344 E HN 0.419 nan 8.360 nan 0.000 0.454 345 T N 1.099 115.638 114.554 -0.026 0.000 2.759 345 T HA -0.138 4.212 4.350 0.001 0.000 0.269 345 T C 1.832 176.510 174.700 -0.037 0.000 1.042 345 T CA 0.839 62.922 62.100 -0.028 0.000 1.140 345 T CB -0.106 68.750 68.868 -0.021 0.000 0.864 345 T HN 0.124 nan 8.240 nan 0.000 0.455 346 L N 0.605 121.805 121.223 -0.039 0.000 2.056 346 L HA -0.001 4.339 4.340 0.001 0.000 0.207 346 L C 3.081 179.885 176.870 -0.110 0.000 1.078 346 L CA 1.095 55.902 54.840 -0.056 0.000 0.749 346 L CB -0.718 41.322 42.059 -0.032 0.000 0.901 346 L HN 0.219 nan 8.230 nan 0.000 0.433 347 A N 0.571 123.334 122.820 -0.094 0.000 1.902 347 A HA -0.125 4.196 4.320 0.001 0.000 0.217 347 A C 2.409 179.925 177.584 -0.113 0.000 1.181 347 A CA 1.762 53.730 52.037 -0.116 0.000 0.623 347 A CB -1.230 17.732 19.000 -0.063 0.000 0.818 347 A HN 0.438 nan 8.150 nan 0.000 0.443 348 G N -0.092 108.662 108.800 -0.076 0.000 2.418 348 G HA2 -0.176 3.785 3.960 0.001 0.000 0.217 348 G HA3 -0.176 3.785 3.960 0.001 0.000 0.217 348 G C 1.524 176.379 174.900 -0.075 0.000 1.158 348 G CA 1.076 46.139 45.100 -0.061 0.000 0.771 348 G HN 0.473 nan 8.290 nan 0.000 0.545 349 I N 1.424 121.942 120.570 -0.085 0.000 2.226 349 I HA -0.154 4.017 4.170 0.001 0.000 0.245 349 I C 2.970 179.007 176.117 -0.134 0.000 1.100 349 I CA 1.772 63.020 61.300 -0.086 0.000 1.374 349 I CB -0.145 37.816 38.000 -0.065 0.000 1.057 349 I HN 0.347 nan 8.210 nan 0.000 0.413 350 T N -3.550 110.853 114.554 -0.251 0.000 3.044 350 T HA 0.165 4.515 4.350 0.001 0.000 0.250 350 T C 1.334 175.831 174.700 -0.339 0.000 1.081 350 T CA 0.211 62.052 62.100 -0.433 0.000 1.040 350 T CB 0.359 68.580 68.868 -1.078 0.000 0.962 350 T HN 0.099 nan 8.240 nan 0.000 0.506 351 V N 0.823 120.617 119.914 -0.200 0.000 3.029 351 V HA 0.059 4.180 4.120 0.001 0.000 0.230 351 V C 2.719 178.791 176.094 -0.036 0.000 1.254 351 V CA 1.171 63.415 62.300 -0.092 0.000 1.276 351 V CB 0.033 31.813 31.823 -0.072 0.000 1.080 351 V HN 0.402 nan 8.190 nan 0.000 0.495 352 T N 0.835 115.364 114.554 -0.042 0.000 2.770 352 T HA -0.114 4.237 4.350 0.001 0.000 0.263 352 T C 1.769 176.471 174.700 0.003 0.000 1.039 352 T CA 1.648 63.738 62.100 -0.015 0.000 1.142 352 T CB -0.316 68.541 68.868 -0.018 0.000 0.868 352 T HN 0.315 nan 8.240 nan 0.000 0.435 353 N N 1.731 120.427 118.700 -0.006 0.000 2.104 353 N HA -0.059 4.682 4.740 0.001 0.000 0.190 353 N C -1.010 174.539 175.510 0.065 0.000 1.024 353 N CA 1.248 54.305 53.050 0.012 0.000 0.853 353 N CB -1.503 36.971 38.487 -0.021 0.000 1.008 353 N HN 0.344 nan 8.380 nan 0.000 0.424 354 P HA -0.011 nan 4.420 nan 0.000 0.215 354 P C 1.176 178.556 177.300 0.134 0.000 1.157 354 P CA 1.568 64.748 63.100 0.133 0.000 0.863 354 P CB -0.128 31.629 31.700 0.095 0.000 0.787 355 A N 0.057 122.921 122.820 0.073 0.000 1.892 355 A HA -0.255 4.066 4.320 0.001 0.000 0.218 355 A C 2.437 180.047 177.584 0.044 0.000 1.188 355 A CA 1.880 53.944 52.037 0.045 0.000 0.631 355 A CB -1.318 17.697 19.000 0.026 0.000 0.822 355 A HN 0.012 nan 8.150 nan 0.000 0.447 356 R N -2.174 118.362 120.500 0.060 0.000 2.081 356 R HA -0.123 4.218 4.340 0.001 0.000 0.235 356 R C 2.008 178.362 176.300 0.090 0.000 1.131 356 R CA 1.631 57.766 56.100 0.058 0.000 0.960 356 R CB -0.418 29.918 30.300 0.060 0.000 0.856 356 R HN 0.562 nan 8.270 nan 0.000 0.436 357 F N 1.321 121.257 119.950 -0.024 0.000 2.051 357 F HA -0.181 4.347 4.527 0.001 0.000 0.296 357 F C 1.835 177.615 175.800 -0.033 0.000 1.122 357 F CA 1.550 59.533 58.000 -0.028 0.000 1.201 357 F CB -0.506 38.483 39.000 -0.020 0.000 0.978 357 F HN -0.056 nan 8.300 nan 0.000 0.472 358 L N -0.458 120.696 121.223 -0.114 0.000 2.141 358 L HA -0.128 4.213 4.340 0.001 0.000 0.209 358 L C 1.196 177.962 176.870 -0.173 0.000 1.094 358 L CA 0.569 55.281 54.840 -0.214 0.000 0.763 358 L CB -0.963 41.052 42.059 -0.072 0.000 0.908 358 L HN -0.077 nan 8.230 nan 0.000 0.437 359 S N 1.117 116.756 115.700 -0.101 0.000 2.670 359 S HA 0.064 4.535 4.470 0.001 0.000 0.308 359 S C -2.107 172.428 174.600 -0.109 0.000 1.232 359 S CA -0.983 57.166 58.200 -0.084 0.000 1.126 359 S CB 0.110 63.280 63.200 -0.051 0.000 0.897 359 S HN 0.011 nan 8.310 nan 0.000 0.508 360 P HA 0.077 nan 4.420 nan 0.000 0.260 360 P C -0.726 176.523 177.300 -0.084 0.000 1.185 360 P CA 0.216 63.252 63.100 -0.108 0.000 0.763 360 P CB 0.209 31.856 31.700 -0.089 0.000 0.776 361 T N 4.607 119.108 114.554 -0.088 0.000 2.881 361 T HA 0.387 4.737 4.350 0.001 0.000 0.291 361 T C -0.270 174.396 174.700 -0.057 0.000 0.990 361 T CA -0.517 61.545 62.100 -0.064 0.000 0.976 361 T CB 0.632 69.465 68.868 -0.059 0.000 0.970 361 T HN -0.002 nan 8.240 nan 0.000 0.438 362 L N 3.105 124.302 121.223 -0.043 0.000 2.350 362 L HA 0.658 4.998 4.340 0.001 0.000 0.275 362 L C 1.331 178.183 176.870 -0.029 0.000 1.099 362 L CA -0.016 54.803 54.840 -0.035 0.000 0.808 362 L CB 0.195 42.237 42.059 -0.028 0.000 1.149 362 L HN 0.865 nan 8.230 nan 0.000 0.442 363 R N 0.000 120.485 120.500 -0.026 0.000 2.786 363 R HA 0.000 4.341 4.340 0.001 0.000 0.208 363 R CA 0.000 56.088 56.100 -0.021 0.000 0.921 363 R CB 0.000 30.291 30.300 -0.015 0.000 0.687 363 R HN 0.000 nan 8.270 nan 0.000 0.535