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 2ess_1_A DATA FIRST_RESID 2 DATA SEQUENCE SEENKIGTYQ FVAEPFHVDF NGRLTXGVLG NHLLNCAGFH ASDRGFGIAT DATA SEQUENCE LNEDNYTWVL SRLAIELDEX PYQYEKFSVQ TWVENVYRLF TDRNFAVIDK DATA SEQUENCE DGKKIGYARS VWAXINLNTR KPAXXXXLHG GSIVDYICDE PCPIEKPSRI DATA SEQUENCE KVTSNQPVAT LTAKYSDIDI NGHVNSIRYI EHILDLFPIE LYQTKRIRRF DATA SEQUENCE EXAYVAESYF GDELSFFCDE VSENEFHVEV KKNGSEVVCR SKVIFE 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 2 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 2 S C 0.000 174.593 174.600 -0.012 0.000 1.055 2 S CA 0.000 58.191 58.200 -0.014 0.000 1.107 2 S CB 0.000 63.192 63.200 -0.014 0.000 0.593 3 E N 1.147 121.331 120.200 -0.027 0.000 2.051 3 E HA -0.065 4.286 4.350 0.002 0.000 0.192 3 E C 2.489 179.061 176.600 -0.048 0.000 0.991 3 E CA 2.056 58.431 56.400 -0.043 0.000 0.799 3 E CB -1.097 28.559 29.700 -0.074 0.000 0.748 3 E HN 0.911 9.271 8.360 -0.000 0.000 0.449 4 E N 2.171 122.340 120.200 -0.050 0.000 2.130 4 E HA -0.223 4.128 4.350 0.002 0.000 0.196 4 E C 1.730 178.335 176.600 0.008 0.000 0.998 4 E CA 1.565 57.940 56.400 -0.042 0.000 0.806 4 E CB -0.942 28.736 29.700 -0.036 0.000 0.738 4 E HN 0.170 8.530 8.360 -0.000 0.000 0.459 5 N N -0.006 118.711 118.700 0.029 0.000 2.453 5 N HA -0.060 4.681 4.740 0.002 0.000 0.183 5 N C 1.504 177.109 175.510 0.157 0.000 1.041 5 N CA 1.202 54.294 53.050 0.070 0.000 0.900 5 N CB 0.049 38.568 38.487 0.052 0.000 0.961 5 N HN 0.551 8.931 8.380 -0.000 0.000 0.443 6 K N 0.042 120.555 120.400 0.187 0.000 2.426 6 K HA 0.197 4.518 4.320 0.002 0.000 0.193 6 K C 0.269 177.131 176.600 0.437 0.000 1.028 6 K CA 0.159 56.667 56.287 0.368 0.000 1.047 6 K CB 0.541 33.226 32.500 0.308 0.000 0.821 6 K HN 0.121 8.371 8.250 -0.000 0.000 0.513 7 I N 1.315 122.047 120.570 0.270 0.000 2.395 7 I HA 0.117 4.288 4.170 0.002 0.000 0.289 7 I C 0.636 176.909 176.117 0.261 0.000 1.023 7 I CA -0.595 60.866 61.300 0.268 0.000 1.350 7 I CB 1.344 39.409 38.000 0.109 0.000 1.409 7 I HN -0.013 8.197 8.210 -0.000 0.000 0.507 8 G N 3.825 112.837 108.800 0.353 0.000 2.348 8 G HA2 0.568 4.529 3.960 0.002 0.000 0.312 8 G HA3 0.568 4.529 3.960 0.002 0.000 0.312 8 G C -0.594 174.193 174.900 -0.188 0.000 1.126 8 G CA -0.208 44.988 45.100 0.160 0.000 0.865 8 G HN 0.522 8.812 8.290 -0.000 0.000 0.474 9 T N 1.527 115.724 114.554 -0.594 0.000 2.812 9 T HA 0.514 4.865 4.350 0.002 0.000 0.282 9 T C -1.368 172.851 174.700 -0.802 0.000 0.990 9 T CA -0.136 61.685 62.100 -0.465 0.000 0.960 9 T CB 0.969 69.722 68.868 -0.191 0.000 0.948 9 T HN 0.396 8.636 8.240 -0.000 0.000 0.438 10 Y N 1.330 121.637 120.300 0.012 0.000 2.442 10 Y HA 0.480 5.031 4.550 0.002 0.000 0.344 10 Y C 0.105 175.697 175.900 -0.513 0.000 0.976 10 Y CA -1.289 56.688 58.100 -0.205 0.000 1.040 10 Y CB 1.612 40.068 38.460 -0.007 0.000 1.228 10 Y HN 0.337 8.617 8.280 -0.000 0.000 0.451 11 Q N 3.213 122.646 119.800 -0.613 0.000 2.256 11 Q HA 0.541 4.882 4.340 0.002 0.000 0.257 11 Q C -1.363 173.970 176.000 -1.111 0.000 0.936 11 Q CA -0.358 55.057 55.803 -0.646 0.000 0.903 11 Q CB 1.999 30.527 28.738 -0.351 0.000 1.263 11 Q HN 0.620 8.890 8.270 -0.000 0.000 0.440 12 F N -0.345 119.290 119.950 -0.525 0.000 2.650 12 F HA 0.609 5.137 4.527 0.002 0.000 0.320 12 F C -0.245 175.258 175.800 -0.496 0.000 1.091 12 F CA -1.074 56.517 58.000 -0.683 0.000 0.962 12 F CB 1.470 39.631 39.000 -1.397 0.000 1.363 12 F HN 0.085 8.385 8.300 -0.000 0.000 0.482 13 V N 1.122 121.049 119.914 0.023 0.000 2.656 13 V HA 0.696 4.817 4.120 0.002 0.000 0.307 13 V C -0.424 175.888 176.094 0.364 0.000 1.051 13 V CA -1.279 61.136 62.300 0.192 0.000 0.893 13 V CB 1.650 33.573 31.823 0.166 0.000 0.999 13 V HN 0.910 9.101 8.190 -0.000 0.000 0.426 14 A N 3.920 127.006 122.820 0.444 0.000 2.444 14 A HA 0.396 4.717 4.320 0.002 0.000 0.287 14 A C 0.344 177.937 177.584 0.015 0.000 1.195 14 A CA -0.117 52.094 52.037 0.289 0.000 0.858 14 A CB -0.432 18.636 19.000 0.113 0.000 1.117 14 A HN 0.876 9.026 8.150 -0.000 0.000 0.521 15 E N 3.585 123.799 120.200 0.023 0.000 2.349 15 E HA 0.193 4.544 4.350 0.002 0.000 0.265 15 E C -1.732 174.638 176.600 -0.385 0.000 1.064 15 E CA -1.777 54.491 56.400 -0.220 0.000 0.886 15 E CB 0.489 30.041 29.700 -0.246 0.000 1.036 15 E HN 0.371 8.731 8.360 -0.000 0.000 0.413 16 P HA -0.146 4.274 4.420 -0.000 0.000 0.218 16 P C 0.206 177.231 177.300 -0.457 0.000 1.148 16 P CA 1.196 63.920 63.100 -0.628 0.000 0.822 16 P CB 0.142 31.378 31.700 -0.774 0.000 0.784 17 F N -2.661 117.155 119.950 -0.224 0.000 2.797 17 F HA 0.079 4.607 4.527 0.001 0.000 0.302 17 F C 1.583 177.368 175.800 -0.026 0.000 1.130 17 F CA 0.476 58.387 58.000 -0.148 0.000 1.387 17 F CB -1.204 37.702 39.000 -0.156 0.000 1.107 17 F HN 0.197 8.497 8.300 -0.000 0.000 0.577 18 H N -1.310 117.762 119.070 0.004 0.000 2.592 18 H HA 0.334 4.891 4.556 0.002 0.000 0.279 18 H C 0.074 175.332 175.328 -0.115 0.000 1.089 18 H CA -0.280 55.741 56.048 -0.044 0.000 1.150 18 H CB 0.770 30.521 29.762 -0.017 0.000 1.575 18 H HN 0.018 8.298 8.280 -0.000 0.000 0.547 19 V N -1.107 118.783 119.914 -0.040 0.000 3.019 19 V HA 0.357 4.478 4.120 0.002 0.000 0.317 19 V C -0.235 175.779 176.094 -0.134 0.000 1.094 19 V CA -1.162 61.051 62.300 -0.145 0.000 1.000 19 V CB 2.214 33.883 31.823 -0.258 0.000 1.060 19 V HN 0.120 8.310 8.190 -0.000 0.000 0.443 20 D N 1.471 121.758 120.400 -0.189 0.000 2.511 20 D HA 0.229 4.870 4.640 0.002 0.000 0.276 20 D C 0.846 177.053 176.300 -0.154 0.000 1.220 20 D CA -0.247 53.646 54.000 -0.179 0.000 1.077 20 D CB 0.176 40.793 40.800 -0.306 0.000 1.126 20 D HN 0.674 9.044 8.370 -0.000 0.000 0.583 21 F N -1.224 118.671 119.950 -0.092 0.000 2.451 21 F HA 0.137 4.665 4.527 0.001 0.000 0.299 21 F C 1.001 176.784 175.800 -0.027 0.000 1.101 21 F CA 0.247 58.215 58.000 -0.052 0.000 1.436 21 F CB -0.700 38.280 39.000 -0.032 0.000 1.074 21 F HN 0.011 8.311 8.300 -0.000 0.000 0.553 22 N N 0.701 119.046 118.700 -0.591 0.000 2.322 22 N HA 0.139 4.880 4.740 0.002 0.000 0.194 22 N C 1.600 177.023 175.510 -0.145 0.000 1.126 22 N CA 0.844 53.714 53.050 -0.300 0.000 0.845 22 N CB 0.402 38.667 38.487 -0.370 0.000 0.976 22 N HN 0.545 8.925 8.380 -0.000 0.000 0.475 23 G N 1.079 109.734 108.800 -0.242 0.000 2.143 23 G HA2 -0.269 3.692 3.960 0.002 0.000 0.248 23 G HA3 -0.269 3.692 3.960 0.002 0.000 0.248 23 G C 0.003 174.603 174.900 -0.500 0.000 0.991 23 G CA -0.084 44.742 45.100 -0.458 0.000 0.689 23 G HN 0.180 8.470 8.290 -0.000 0.000 0.522 24 R N -0.588 119.740 120.500 -0.286 0.000 2.532 24 R HA 0.559 4.900 4.340 0.002 0.000 0.295 24 R C 0.376 176.539 176.300 -0.229 0.000 0.968 24 R CA -1.236 54.737 56.100 -0.212 0.000 0.916 24 R CB 1.388 31.599 30.300 -0.150 0.000 1.124 24 R HN 0.248 8.518 8.270 -0.000 0.000 0.463 25 L N 2.158 123.247 121.223 -0.225 0.000 2.559 25 L HA -0.064 4.277 4.340 0.002 0.000 0.282 25 L C 0.825 177.563 176.870 -0.219 0.000 1.232 25 L CA 0.905 55.614 54.840 -0.219 0.000 0.885 25 L CB 0.410 42.285 42.059 -0.306 0.000 1.131 25 L HN 0.822 9.052 8.230 -0.000 0.000 0.498 29 V N 1.695 121.419 119.914 -0.317 0.000 2.427 29 V HA -0.027 4.094 4.120 0.002 0.000 0.248 29 V C 2.601 178.434 176.094 -0.436 0.000 1.051 29 V CA 1.952 63.975 62.300 -0.461 0.000 1.048 29 V CB -0.244 31.287 31.823 -0.486 0.000 0.666 29 V HN 0.324 8.514 8.190 -0.000 0.000 0.456 30 L N 1.501 122.563 121.223 -0.268 0.000 2.017 30 L HA -0.034 4.307 4.340 0.002 0.000 0.208 30 L C 2.401 179.153 176.870 -0.196 0.000 1.073 30 L CA 2.518 57.254 54.840 -0.173 0.000 0.745 30 L CB -1.457 40.494 42.059 -0.180 0.000 0.894 30 L HN 0.272 8.502 8.230 -0.000 0.000 0.432 31 G N -0.697 107.983 108.800 -0.200 0.000 2.476 31 G HA2 -0.445 3.515 3.960 0.002 0.000 0.218 31 G HA3 -0.445 3.515 3.960 0.002 0.000 0.218 31 G C 1.494 176.273 174.900 -0.202 0.000 1.164 31 G CA 1.115 46.114 45.100 -0.168 0.000 0.768 31 G HN 0.550 8.840 8.290 -0.000 0.000 0.560 32 N N 0.156 118.699 118.700 -0.262 0.000 2.036 32 N HA -0.175 4.565 4.740 0.002 0.000 0.195 32 N C 2.052 177.381 175.510 -0.303 0.000 1.037 32 N CA 1.736 54.605 53.050 -0.303 0.000 0.855 32 N CB -0.377 37.863 38.487 -0.411 0.000 1.033 32 N HN 0.412 8.792 8.380 -0.000 0.000 0.423 33 H N 0.248 119.146 119.070 -0.287 0.000 2.321 33 H HA -0.049 4.508 4.556 0.002 0.000 0.300 33 H C 2.157 177.325 175.328 -0.267 0.000 1.087 33 H CA 1.373 57.200 56.048 -0.367 0.000 1.319 33 H CB -0.608 28.821 29.762 -0.555 0.000 1.379 33 H HN 0.264 8.544 8.280 -0.000 0.000 0.501 34 L N 0.171 121.281 121.223 -0.189 0.000 1.989 34 L HA -0.203 4.138 4.340 0.002 0.000 0.211 34 L C 2.738 179.462 176.870 -0.243 0.000 1.071 34 L CA 1.098 55.672 54.840 -0.443 0.000 0.749 34 L CB -0.644 40.883 42.059 -0.888 0.000 0.890 34 L HN 0.160 8.390 8.230 -0.000 0.000 0.431 35 L N -0.452 120.676 121.223 -0.160 0.000 2.093 35 L HA -0.176 4.165 4.340 0.002 0.000 0.208 35 L C 2.401 179.186 176.870 -0.143 0.000 1.085 35 L CA 0.919 55.754 54.840 -0.010 0.000 0.755 35 L CB -0.711 41.357 42.059 0.014 0.000 0.904 35 L HN 0.358 8.588 8.230 -0.000 0.000 0.435 36 N N -0.213 118.317 118.700 -0.282 0.000 2.166 36 N HA -0.155 4.586 4.740 0.002 0.000 0.186 36 N C 1.889 176.711 175.510 -1.148 0.000 1.019 36 N CA 1.471 54.145 53.050 -0.627 0.000 0.856 36 N CB -0.553 37.632 38.487 -0.503 0.000 0.993 36 N HN 0.351 8.731 8.380 -0.000 0.000 0.426 37 C N 0.729 119.655 119.300 -0.624 0.000 2.440 37 C HA 0.077 4.538 4.460 0.002 0.000 0.278 37 C C 2.849 177.700 174.990 -0.231 0.000 1.295 37 C CA 0.421 59.153 59.018 -0.476 0.000 1.738 37 C CB -1.189 26.616 27.740 0.108 0.000 1.987 37 C HN 0.468 8.698 8.230 -0.000 0.000 0.492 38 A N 1.006 123.790 122.820 -0.060 0.000 1.883 38 A HA -0.001 4.320 4.320 0.002 0.000 0.217 38 A C 2.410 179.840 177.584 -0.256 0.000 1.186 38 A CA 2.224 54.203 52.037 -0.095 0.000 0.624 38 A CB -1.307 17.692 19.000 -0.002 0.000 0.822 38 A HN 0.541 8.691 8.150 -0.000 0.000 0.444 39 G N -1.068 107.534 108.800 -0.331 0.000 2.418 39 G HA2 -0.133 3.828 3.960 0.002 0.000 0.217 39 G HA3 -0.133 3.828 3.960 0.002 0.000 0.217 39 G C 1.299 176.083 174.900 -0.194 0.000 1.158 39 G CA 1.138 46.057 45.100 -0.301 0.000 0.771 39 G HN 0.398 8.688 8.290 -0.000 0.000 0.545 40 F N 0.511 120.354 119.950 -0.179 0.000 2.134 40 F HA -0.029 4.499 4.527 0.002 0.000 0.299 40 F C 2.405 178.127 175.800 -0.131 0.000 1.097 40 F CA 0.876 58.761 58.000 -0.191 0.000 1.264 40 F CB -1.172 37.597 39.000 -0.385 0.000 1.001 40 F HN 0.258 8.558 8.300 -0.000 0.000 0.479 41 H N 0.244 119.311 119.070 -0.006 0.000 2.326 41 H HA -0.041 4.516 4.556 0.002 0.000 0.301 41 H C 2.191 177.283 175.328 -0.393 0.000 1.081 41 H CA 1.543 57.575 56.048 -0.027 0.000 1.334 41 H CB -0.172 29.628 29.762 0.064 0.000 1.385 41 H HN 0.194 8.474 8.280 -0.000 0.000 0.504 42 A N 0.335 122.875 122.820 -0.468 0.000 1.877 42 A HA -0.138 4.183 4.320 0.002 0.000 0.216 42 A C 2.785 179.874 177.584 -0.825 0.000 1.186 42 A CA 1.849 53.214 52.037 -1.121 0.000 0.620 42 A CB -0.732 17.847 19.000 -0.700 0.000 0.822 42 A HN 0.491 8.642 8.150 -0.000 0.000 0.443 43 S N 0.171 115.637 115.700 -0.390 0.000 2.368 43 S HA -0.124 4.347 4.470 0.002 0.000 0.224 43 S C 1.532 176.004 174.600 -0.213 0.000 1.029 43 S CA 1.279 59.346 58.200 -0.221 0.000 0.988 43 S CB -0.420 62.731 63.200 -0.082 0.000 0.838 43 S HN 0.582 8.892 8.310 -0.000 0.000 0.462 44 D N 0.993 121.263 120.400 -0.216 0.000 2.263 44 D HA -0.029 4.612 4.640 0.002 0.000 0.208 44 D C 1.608 177.764 176.300 -0.239 0.000 0.971 44 D CA 0.892 54.785 54.000 -0.177 0.000 0.867 44 D CB -0.066 40.656 40.800 -0.131 0.000 0.929 44 D HN 0.307 8.677 8.370 -0.000 0.000 0.492 45 R N -1.080 119.162 120.500 -0.430 0.000 2.432 45 R HA 0.298 4.639 4.340 0.002 0.000 0.260 45 R C 0.921 177.120 176.300 -0.169 0.000 0.935 45 R CA 0.364 56.234 56.100 -0.382 0.000 1.080 45 R CB 0.955 30.760 30.300 -0.826 0.000 1.155 45 R HN 0.045 8.315 8.270 -0.000 0.000 0.531 46 G N 1.662 110.344 108.800 -0.197 0.000 2.182 46 G HA2 -0.274 3.687 3.960 0.002 0.000 0.248 46 G HA3 -0.274 3.687 3.960 0.002 0.000 0.248 46 G C 0.123 175.099 174.900 0.127 0.000 1.042 46 G CA 0.401 45.495 45.100 -0.011 0.000 0.775 46 G HN 0.481 8.771 8.290 -0.000 0.000 0.501 47 F N -1.174 118.806 119.950 0.050 0.000 2.815 47 F HA 0.634 5.162 4.527 0.001 0.000 0.323 47 F C 0.923 176.888 175.800 0.275 0.000 1.151 47 F CA -0.957 57.132 58.000 0.148 0.000 1.191 47 F CB -0.261 38.832 39.000 0.156 0.000 1.069 47 F HN 0.320 8.620 8.300 -0.000 0.000 0.514 48 G N 0.919 109.769 108.800 0.083 0.000 2.563 48 G HA2 0.315 4.276 3.960 0.002 0.000 0.283 48 G HA3 0.315 4.276 3.960 0.002 0.000 0.283 48 G C 0.983 176.060 174.900 0.294 0.000 1.309 48 G CA -0.587 44.597 45.100 0.140 0.000 1.022 48 G HN 0.253 8.543 8.290 -0.000 0.000 0.501 49 I N 0.534 121.268 120.570 0.274 0.000 2.163 49 I HA -0.285 3.885 4.170 0.002 0.000 0.243 49 I C 3.200 179.386 176.117 0.115 0.000 1.085 49 I CA 1.624 63.061 61.300 0.229 0.000 1.347 49 I CB -0.325 37.792 38.000 0.195 0.000 1.044 49 I HN 0.513 8.723 8.210 -0.000 0.000 0.408 50 A N 0.448 123.319 122.820 0.085 0.000 1.892 50 A HA -0.258 4.063 4.320 0.002 0.000 0.218 50 A C 2.386 180.003 177.584 0.055 0.000 1.188 50 A CA 2.773 54.844 52.037 0.056 0.000 0.631 50 A CB -1.199 17.824 19.000 0.039 0.000 0.822 50 A HN 0.413 8.563 8.150 -0.000 0.000 0.447 51 T N -0.008 114.587 114.554 0.067 0.000 2.701 51 T HA -0.092 4.259 4.350 0.002 0.000 0.263 51 T C 1.799 176.540 174.700 0.067 0.000 1.040 51 T CA 1.524 63.667 62.100 0.071 0.000 1.147 51 T CB -0.389 68.537 68.868 0.096 0.000 0.865 51 T HN 0.215 8.455 8.240 -0.000 0.000 0.426 52 L N 1.674 122.932 121.223 0.059 0.000 2.043 52 L HA -0.115 4.226 4.340 0.002 0.000 0.212 52 L C 2.180 179.078 176.870 0.047 0.000 1.075 52 L CA 1.694 56.541 54.840 0.011 0.000 0.752 52 L CB -0.892 41.067 42.059 -0.167 0.000 0.891 52 L HN 0.352 8.582 8.230 -0.000 0.000 0.432 53 N N -0.910 117.809 118.700 0.032 0.000 2.223 53 N HA -0.194 4.547 4.740 0.002 0.000 0.185 53 N C 1.524 177.040 175.510 0.010 0.000 1.016 53 N CA 0.916 53.976 53.050 0.017 0.000 0.863 53 N CB -0.068 38.435 38.487 0.026 0.000 0.983 53 N HN 0.502 8.882 8.380 -0.000 0.000 0.429 54 E N 0.444 120.659 120.200 0.026 0.000 2.204 54 E HA -0.134 4.217 4.350 0.002 0.000 0.195 54 E C 0.330 176.942 176.600 0.020 0.000 0.990 54 E CA 0.762 57.176 56.400 0.022 0.000 0.821 54 E CB 0.090 29.809 29.700 0.032 0.000 0.750 54 E HN 0.372 8.732 8.360 -0.000 0.000 0.477 55 D N -0.137 120.289 120.400 0.043 0.000 2.402 55 D HA 0.038 4.679 4.640 0.002 0.000 0.216 55 D C -0.120 176.130 176.300 -0.084 0.000 1.128 55 D CA -0.073 53.959 54.000 0.053 0.000 0.833 55 D CB 0.421 41.324 40.800 0.171 0.000 0.971 55 D HN -0.019 8.351 8.370 -0.000 0.000 0.503 56 N N 0.009 118.622 118.700 -0.145 0.000 2.869 56 N HA -0.207 4.534 4.740 0.002 0.000 0.249 56 N C -1.312 173.867 175.510 -0.552 0.000 1.104 56 N CA 0.520 53.387 53.050 -0.305 0.000 0.760 56 N CB -1.631 36.658 38.487 -0.330 0.000 1.108 56 N HN 0.222 8.602 8.380 -0.000 0.000 0.555 57 Y N -0.930 119.316 120.300 -0.089 0.000 2.621 57 Y HA 0.755 5.306 4.550 0.001 0.000 0.334 57 Y C 1.130 176.938 175.900 -0.153 0.000 1.074 57 Y CA -0.382 57.633 58.100 -0.142 0.000 1.149 57 Y CB 1.975 40.302 38.460 -0.221 0.000 1.302 57 Y HN -0.035 8.245 8.280 -0.000 0.000 0.501 58 T N -0.324 114.232 114.554 0.004 0.000 2.816 58 T HA 0.438 4.788 4.350 0.002 0.000 0.299 58 T C -2.074 172.583 174.700 -0.071 0.000 1.230 58 T CA -0.771 61.305 62.100 -0.040 0.000 1.007 58 T CB 0.637 69.548 68.868 0.072 0.000 1.289 58 T HN 0.528 8.768 8.240 -0.000 0.000 0.508 59 W N 1.480 122.878 121.300 0.164 0.000 2.417 59 W HA 0.666 5.327 4.660 0.001 0.000 0.317 59 W C -0.746 175.954 176.519 0.301 0.000 1.121 59 W CA -0.659 56.825 57.345 0.232 0.000 1.208 59 W CB 1.419 30.993 29.460 0.189 0.000 1.253 59 W HN 0.341 8.521 8.180 -0.000 0.000 0.533 60 V N 4.771 125.055 119.914 0.616 0.000 2.588 60 V HA 0.261 4.382 4.120 0.002 0.000 0.304 60 V C -0.575 175.686 176.094 0.278 0.000 1.042 60 V CA -1.180 61.347 62.300 0.378 0.000 0.877 60 V CB 1.384 33.342 31.823 0.224 0.000 0.996 60 V HN 0.336 8.526 8.190 -0.000 0.000 0.425 61 L N 4.118 125.281 121.223 -0.099 0.000 2.361 61 L HA 0.396 4.737 4.340 0.002 0.000 0.278 61 L C 1.005 177.731 176.870 -0.240 0.000 1.113 61 L CA 1.166 55.608 54.840 -0.663 0.000 0.849 61 L CB 1.336 42.810 42.059 -0.974 0.000 1.155 61 L HN 0.744 8.974 8.230 -0.000 0.000 0.452 62 S N 4.538 120.140 115.700 -0.164 0.000 2.510 62 S HA 0.375 4.846 4.470 0.002 0.000 0.230 62 S C 0.316 174.909 174.600 -0.011 0.000 1.066 62 S CA 0.131 58.340 58.200 0.015 0.000 0.941 62 S CB 0.266 63.529 63.200 0.104 0.000 0.829 62 S HN 0.614 8.924 8.310 -0.000 0.000 0.530 63 R N 0.156 120.590 120.500 -0.110 0.000 2.698 63 R HA 0.634 4.975 4.340 0.002 0.000 0.275 63 R C -2.048 174.177 176.300 -0.124 0.000 1.001 63 R CA -0.660 55.363 56.100 -0.128 0.000 0.896 63 R CB 2.067 32.275 30.300 -0.154 0.000 1.218 63 R HN 0.102 8.372 8.270 -0.000 0.000 0.462 64 L N 1.339 122.500 121.223 -0.102 0.000 2.470 64 L HA 0.729 5.069 4.340 0.002 0.000 0.268 64 L C -1.580 175.242 176.870 -0.080 0.000 0.964 64 L CA -0.245 54.564 54.840 -0.052 0.000 0.839 64 L CB 2.068 44.139 42.059 0.019 0.000 1.276 64 L HN 0.842 9.072 8.230 -0.000 0.000 0.403 65 A N 6.049 128.850 122.820 -0.032 0.000 2.356 65 A HA 0.878 5.199 4.320 0.002 0.000 0.310 65 A C -1.147 176.461 177.584 0.039 0.000 1.075 65 A CA -0.401 51.618 52.037 -0.030 0.000 0.746 65 A CB 0.934 19.911 19.000 -0.038 0.000 1.221 65 A HN 0.637 8.787 8.150 -0.000 0.000 0.443 66 I N 1.400 122.007 120.570 0.063 0.000 2.436 66 I HA 0.452 4.623 4.170 0.002 0.000 0.289 66 I C -0.226 175.939 176.117 0.080 0.000 1.010 66 I CA -0.203 61.146 61.300 0.080 0.000 1.098 66 I CB 2.082 40.131 38.000 0.082 0.000 1.266 66 I HN 0.793 9.003 8.210 -0.000 0.000 0.434 67 E N 7.102 127.358 120.200 0.092 0.000 2.246 67 E HA 0.680 5.031 4.350 0.002 0.000 0.266 67 E C -1.793 174.852 176.600 0.076 0.000 0.880 67 E CA -0.576 55.875 56.400 0.086 0.000 0.762 67 E CB 1.892 31.659 29.700 0.112 0.000 1.180 67 E HN 0.496 8.856 8.360 -0.000 0.000 0.416 68 L N 3.777 125.020 121.223 0.033 0.000 2.408 68 L HA 0.386 4.727 4.340 0.002 0.000 0.268 68 L C 0.128 177.002 176.870 0.007 0.000 0.986 68 L CA -0.774 54.066 54.840 -0.000 0.000 0.820 68 L CB 1.880 43.914 42.059 -0.040 0.000 1.303 68 L HN 0.570 8.800 8.230 -0.000 0.000 0.411 69 D N 0.354 120.757 120.400 0.005 0.000 2.213 69 D HA -0.024 4.617 4.640 0.002 0.000 0.205 69 D C 0.594 176.890 176.300 -0.007 0.000 0.961 69 D CA 0.864 54.870 54.000 0.010 0.000 0.853 69 D CB 0.623 41.434 40.800 0.018 0.000 0.967 69 D HN 0.578 8.948 8.370 -0.000 0.000 0.496 73 Y N 1.082 121.336 120.300 -0.076 0.000 2.335 73 Y HA 0.359 4.910 4.550 0.001 0.000 0.323 73 Y C 1.008 176.888 175.900 -0.034 0.000 1.224 73 Y CA -0.327 57.739 58.100 -0.056 0.000 1.241 73 Y CB 1.395 39.841 38.460 -0.023 0.000 1.235 73 Y HN 0.427 8.707 8.280 -0.000 0.000 0.492 74 Q N 3.405 122.787 119.800 -0.697 0.000 2.304 74 Q HA -0.128 4.213 4.340 0.002 0.000 0.315 74 Q C -0.780 175.152 176.000 -0.115 0.000 1.075 74 Q CA 1.043 56.524 55.803 -0.537 0.000 0.988 74 Q CB -0.056 28.222 28.738 -0.767 0.000 1.146 74 Q HN 0.901 9.171 8.270 -0.000 0.000 0.383 75 Y N -0.050 120.256 120.300 0.010 0.000 4.916 75 Y HA -0.311 4.240 4.550 0.002 0.000 0.247 75 Y C -0.285 175.689 175.900 0.123 0.000 0.962 75 Y CA 1.275 59.415 58.100 0.067 0.000 1.933 75 Y CB -1.567 36.923 38.460 0.051 0.000 1.451 75 Y HN 0.663 8.943 8.280 -0.000 0.000 0.539 76 E N 1.284 121.655 120.200 0.285 0.000 2.343 76 E HA 0.284 4.635 4.350 0.002 0.000 0.269 76 E C 0.152 176.929 176.600 0.296 0.000 1.047 76 E CA -0.737 55.820 56.400 0.261 0.000 0.874 76 E CB 0.774 30.621 29.700 0.244 0.000 1.033 76 E HN 0.152 8.512 8.360 -0.000 0.000 0.409 77 K N 1.987 122.523 120.400 0.227 0.000 2.295 77 K HA 0.294 4.615 4.320 0.002 0.000 0.270 77 K C -0.407 176.386 176.600 0.323 0.000 1.011 77 K CA 0.083 56.488 56.287 0.196 0.000 0.953 77 K CB 0.366 32.923 32.500 0.094 0.000 0.956 77 K HN 0.338 8.588 8.250 -0.000 0.000 0.477 78 F N -1.957 118.058 119.950 0.107 0.000 2.711 78 F HA 0.594 5.122 4.527 0.002 0.000 0.313 78 F C -1.038 174.854 175.800 0.152 0.000 1.141 78 F CA -1.047 57.020 58.000 0.112 0.000 0.941 78 F CB 1.175 40.238 39.000 0.104 0.000 1.349 78 F HN 0.478 8.778 8.300 -0.000 0.000 0.464 79 S N 0.360 116.215 115.700 0.257 0.000 2.618 79 S HA 0.883 5.354 4.470 0.002 0.000 0.277 79 S C -1.905 172.903 174.600 0.347 0.000 1.138 79 S CA -0.783 57.516 58.200 0.165 0.000 0.844 79 S CB 1.661 64.892 63.200 0.051 0.000 1.127 79 S HN 0.898 9.208 8.310 -0.000 0.000 0.474 80 V N 1.590 121.738 119.914 0.390 0.000 2.540 80 V HA 0.528 4.649 4.120 0.002 0.000 0.302 80 V C -0.580 175.764 176.094 0.416 0.000 1.035 80 V CA -0.531 62.042 62.300 0.454 0.000 0.873 80 V CB 1.520 33.690 31.823 0.579 0.000 0.992 80 V HN 0.944 9.134 8.190 -0.000 0.000 0.428 81 Q N 1.525 121.564 119.800 0.398 0.000 2.309 81 Q HA 0.746 5.087 4.340 0.002 0.000 0.264 81 Q C -0.563 175.704 176.000 0.445 0.000 1.008 81 Q CA -0.389 55.655 55.803 0.402 0.000 0.853 81 Q CB 2.443 31.422 28.738 0.402 0.000 1.314 81 Q HN 0.783 9.053 8.270 -0.000 0.000 0.448 82 T N 1.471 116.228 114.554 0.339 0.000 2.894 82 T HA 0.752 5.103 4.350 0.002 0.000 0.309 82 T C -2.222 172.407 174.700 -0.118 0.000 1.208 82 T CA -0.477 61.536 62.100 -0.145 0.000 1.016 82 T CB 0.818 69.543 68.868 -0.238 0.000 1.192 82 T HN 0.657 8.897 8.240 -0.000 0.000 0.491 83 W N 1.629 122.639 121.300 -0.483 0.000 3.153 83 W HA 0.668 5.329 4.660 0.002 0.000 0.316 83 W C -2.285 174.052 176.519 -0.304 0.000 1.255 83 W CA -1.173 55.946 57.345 -0.377 0.000 1.192 83 W CB 0.265 29.646 29.460 -0.132 0.000 1.400 83 W HN 0.446 8.626 8.180 -0.000 0.000 0.568 84 V N 2.542 122.461 119.914 0.009 0.000 2.432 84 V HA 0.070 4.191 4.120 0.002 0.000 0.271 84 V C 0.866 177.013 176.094 0.090 0.000 1.046 84 V CA 0.288 62.556 62.300 -0.054 0.000 0.945 84 V CB 1.065 32.863 31.823 -0.043 0.000 0.992 84 V HN 0.904 9.094 8.190 -0.000 0.000 0.471 85 E N 4.533 124.726 120.200 -0.012 0.000 2.102 85 E HA 0.054 4.404 4.350 0.002 0.000 0.190 85 E C 0.351 176.928 176.600 -0.039 0.000 0.971 85 E CA 0.537 56.979 56.400 0.071 0.000 0.821 85 E CB 0.410 30.136 29.700 0.043 0.000 0.777 85 E HN 0.849 9.209 8.360 -0.000 0.000 0.460 86 N N -1.019 117.579 118.700 -0.170 0.000 2.331 86 N HA 0.308 5.049 4.740 0.002 0.000 0.280 86 N C -1.992 173.324 175.510 -0.324 0.000 1.155 86 N CA -0.623 52.242 53.050 -0.308 0.000 0.822 86 N CB 2.917 40.977 38.487 -0.713 0.000 1.619 86 N HN -0.186 8.194 8.380 -0.000 0.000 0.476 87 V N 2.892 122.671 119.914 -0.225 0.000 2.325 87 V HA 0.376 4.497 4.120 0.002 0.000 0.280 87 V C -0.991 175.134 176.094 0.051 0.000 1.016 87 V CA -0.552 61.688 62.300 -0.100 0.000 0.818 87 V CB -0.313 31.457 31.823 -0.088 0.000 1.019 87 V HN 0.577 8.767 8.190 -0.000 0.000 0.434 88 Y N 3.096 123.463 120.300 0.112 0.000 2.408 88 Y HA 0.513 5.064 4.550 0.001 0.000 0.324 88 Y C 1.699 177.659 175.900 0.099 0.000 1.302 88 Y CA -1.471 56.702 58.100 0.121 0.000 1.384 88 Y CB 0.629 39.197 38.460 0.180 0.000 1.367 88 Y HN 0.352 8.632 8.280 -0.000 0.000 0.525 89 R N 0.291 120.944 120.500 0.255 0.000 2.091 89 R HA -0.082 4.259 4.340 0.002 0.000 0.238 89 R C 1.520 177.855 176.300 0.058 0.000 1.136 89 R CA 1.385 57.557 56.100 0.120 0.000 0.959 89 R CB -0.763 29.582 30.300 0.076 0.000 0.856 89 R HN 0.667 8.937 8.270 -0.000 0.000 0.437 90 L N -1.890 119.371 121.223 0.064 0.000 2.609 90 L HA 0.281 4.622 4.340 0.002 0.000 0.230 90 L C -0.206 176.377 176.870 -0.478 0.000 1.087 90 L CA -0.010 54.692 54.840 -0.229 0.000 0.874 90 L CB 0.328 42.200 42.059 -0.312 0.000 1.114 90 L HN -0.101 8.129 8.230 -0.000 0.000 0.488 91 F N -1.403 118.696 119.950 0.250 0.000 2.613 91 F HA 0.452 4.980 4.527 0.002 0.000 0.310 91 F C -0.089 175.845 175.800 0.223 0.000 1.085 91 F CA -0.767 57.395 58.000 0.270 0.000 0.945 91 F CB 1.991 41.141 39.000 0.249 0.000 1.298 91 F HN -0.445 7.855 8.300 -0.000 0.000 0.455 92 T N 0.982 115.788 114.554 0.420 0.000 2.807 92 T HA 0.379 4.730 4.350 0.002 0.000 0.279 92 T C -1.437 173.338 174.700 0.126 0.000 0.993 92 T CA -0.732 61.456 62.100 0.146 0.000 0.970 92 T CB 1.112 69.982 68.868 0.002 0.000 0.950 92 T HN 0.269 8.509 8.240 -0.000 0.000 0.441 93 D N 2.713 123.081 120.400 -0.054 0.000 2.329 93 D HA 0.272 4.913 4.640 0.002 0.000 0.232 93 D C 0.098 176.321 176.300 -0.128 0.000 1.088 93 D CA -0.358 53.611 54.000 -0.052 0.000 0.835 93 D CB 1.175 41.898 40.800 -0.129 0.000 1.078 93 D HN 0.328 8.698 8.370 -0.000 0.000 0.495 94 R N 2.612 123.050 120.500 -0.104 0.000 2.387 94 R HA 0.385 4.725 4.340 0.002 0.000 0.314 94 R C -0.874 175.085 176.300 -0.568 0.000 0.958 94 R CA -0.590 55.290 56.100 -0.367 0.000 0.846 94 R CB 0.696 30.790 30.300 -0.343 0.000 1.147 94 R HN 0.200 8.470 8.270 -0.000 0.000 0.447 95 N N 2.801 120.884 118.700 -1.028 0.000 2.432 95 N HA 0.521 5.262 4.740 0.002 0.000 0.292 95 N C -1.418 173.088 175.510 -1.673 0.000 1.193 95 N CA -0.264 52.136 53.050 -1.083 0.000 0.878 95 N CB 1.170 39.130 38.487 -0.878 0.000 1.252 95 N HN 0.354 8.734 8.380 -0.000 0.000 0.520 96 F N -0.333 119.227 119.950 -0.651 0.000 2.601 96 F HA 0.720 5.248 4.527 0.002 0.000 0.309 96 F C -0.192 175.640 175.800 0.054 0.000 1.089 96 F CA -1.060 56.748 58.000 -0.321 0.000 0.940 96 F CB 1.726 40.675 39.000 -0.084 0.000 1.273 96 F HN 0.401 8.701 8.300 -0.000 0.000 0.450 97 A N 1.344 124.423 122.820 0.432 0.000 2.386 97 A HA 0.876 5.197 4.320 0.002 0.000 0.311 97 A C -1.621 176.077 177.584 0.190 0.000 1.068 97 A CA -0.783 51.432 52.037 0.297 0.000 0.743 97 A CB 1.471 20.724 19.000 0.422 0.000 1.258 97 A HN 0.535 8.685 8.150 -0.000 0.000 0.429 98 V N 2.561 122.487 119.914 0.020 0.000 2.459 98 V HA 0.505 4.626 4.120 0.002 0.000 0.295 98 V C -0.807 175.317 176.094 0.050 0.000 1.029 98 V CA -0.236 62.118 62.300 0.091 0.000 0.874 98 V CB 1.179 33.025 31.823 0.038 0.000 0.985 98 V HN 0.689 8.879 8.190 -0.000 0.000 0.438 99 I N 4.573 125.230 120.570 0.146 0.000 2.465 99 I HA 0.434 4.605 4.170 0.002 0.000 0.291 99 I C 0.003 176.214 176.117 0.157 0.000 1.014 99 I CA -0.381 60.987 61.300 0.112 0.000 1.093 99 I CB 1.800 39.865 38.000 0.108 0.000 1.267 99 I HN 0.777 8.987 8.210 -0.000 0.000 0.431 100 D N 5.651 126.114 120.400 0.105 0.000 2.447 100 D HA 0.119 4.760 4.640 0.002 0.000 0.265 100 D C 0.988 177.362 176.300 0.124 0.000 1.250 100 D CA -0.450 53.622 54.000 0.120 0.000 1.046 100 D CB 0.624 41.463 40.800 0.065 0.000 1.095 100 D HN 0.605 8.975 8.370 -0.000 0.000 0.555 101 K N -0.769 119.704 120.400 0.122 0.000 2.209 101 K HA -0.148 4.173 4.320 0.002 0.000 0.204 101 K C 0.345 176.985 176.600 0.067 0.000 1.048 101 K CA 1.215 57.564 56.287 0.104 0.000 0.940 101 K CB -0.191 32.372 32.500 0.105 0.000 0.729 101 K HN 0.191 8.441 8.250 -0.000 0.000 0.451 102 D N 0.349 120.783 120.400 0.055 0.000 2.340 102 D HA 0.062 4.703 4.640 0.002 0.000 0.220 102 D C 0.981 177.303 176.300 0.036 0.000 1.039 102 D CA 1.011 55.034 54.000 0.039 0.000 0.866 102 D CB 0.650 41.468 40.800 0.031 0.000 0.913 102 D HN 0.562 8.932 8.370 -0.000 0.000 0.523 103 G N 1.266 110.093 108.800 0.045 0.000 2.157 103 G HA2 -0.298 3.663 3.960 0.002 0.000 0.248 103 G HA3 -0.298 3.663 3.960 0.002 0.000 0.248 103 G C 0.414 175.338 174.900 0.040 0.000 0.979 103 G CA 0.079 45.204 45.100 0.042 0.000 0.650 103 G HN 0.385 8.675 8.290 -0.000 0.000 0.529 104 K N 1.000 121.423 120.400 0.038 0.000 2.276 104 K HA 0.404 4.725 4.320 0.002 0.000 0.283 104 K C 0.389 177.003 176.600 0.023 0.000 1.044 104 K CA -0.589 55.717 56.287 0.032 0.000 0.944 104 K CB 0.299 32.815 32.500 0.027 0.000 1.012 104 K HN 0.149 8.399 8.250 -0.000 0.000 0.472 105 K N 4.799 125.208 120.400 0.014 0.000 2.402 105 K HA 0.032 4.353 4.320 0.002 0.000 0.285 105 K C 0.958 177.513 176.600 -0.075 0.000 1.054 105 K CA 0.127 56.384 56.287 -0.050 0.000 1.001 105 K CB 0.242 32.713 32.500 -0.049 0.000 0.946 105 K HN 0.590 8.840 8.250 -0.000 0.000 0.473 106 I N -1.019 119.489 120.570 -0.104 0.000 4.139 106 I HA 0.332 4.502 4.170 0.002 0.000 0.335 106 I C 0.662 176.710 176.117 -0.116 0.000 1.327 106 I CA -0.432 60.822 61.300 -0.076 0.000 1.112 106 I CB 0.941 38.916 38.000 -0.042 0.000 1.058 106 I HN 0.498 8.708 8.210 -0.000 0.000 0.396 107 G N -0.053 108.600 108.800 -0.244 0.000 2.506 107 G HA2 0.578 4.539 3.960 0.002 0.000 0.292 107 G HA3 0.578 4.539 3.960 0.002 0.000 0.292 107 G C -2.240 172.374 174.900 -0.477 0.000 1.425 107 G CA -0.511 44.454 45.100 -0.225 0.000 0.788 107 G HN 0.034 8.324 8.290 -0.000 0.000 0.490 108 Y N -0.892 119.468 120.300 0.101 0.000 2.581 108 Y HA 0.805 5.356 4.550 0.001 0.000 0.345 108 Y C 0.376 176.342 175.900 0.110 0.000 1.036 108 Y CA -0.355 57.825 58.100 0.134 0.000 1.042 108 Y CB 2.668 41.210 38.460 0.137 0.000 1.289 108 Y HN 0.980 9.260 8.280 -0.000 0.000 0.471 109 A N 1.784 124.802 122.820 0.331 0.000 2.539 109 A HA 0.920 5.241 4.320 0.002 0.000 0.296 109 A C -1.332 176.427 177.584 0.292 0.000 1.073 109 A CA -1.003 51.187 52.037 0.254 0.000 0.700 109 A CB 1.744 20.815 19.000 0.118 0.000 1.296 109 A HN 0.793 8.943 8.150 -0.000 0.000 0.405 110 R N 0.629 121.242 120.500 0.188 0.000 2.561 110 R HA 0.681 5.022 4.340 0.002 0.000 0.297 110 R C -0.782 175.597 176.300 0.131 0.000 0.969 110 R CA -0.349 55.818 56.100 0.113 0.000 0.879 110 R CB 2.227 32.550 30.300 0.038 0.000 1.178 110 R HN 0.900 9.170 8.270 -0.000 0.000 0.445 111 S N 0.457 116.250 115.700 0.156 0.000 2.548 111 S HA 0.672 5.143 4.470 0.002 0.000 0.286 111 S C -0.694 173.943 174.600 0.061 0.000 1.098 111 S CA -0.772 57.500 58.200 0.120 0.000 0.930 111 S CB 2.141 65.567 63.200 0.376 0.000 1.070 111 S HN 0.207 8.517 8.310 -0.000 0.000 0.480 112 V N 2.016 121.856 119.914 -0.123 0.000 2.531 112 V HA 0.557 4.678 4.120 0.002 0.000 0.301 112 V C -1.526 174.522 176.094 -0.077 0.000 1.034 112 V CA -0.500 61.794 62.300 -0.011 0.000 0.865 112 V CB 1.059 32.824 31.823 -0.097 0.000 0.995 112 V HN 0.976 9.166 8.190 -0.000 0.000 0.424 113 W N 2.750 124.177 121.300 0.212 0.000 2.702 113 W HA 0.825 5.487 4.660 0.002 0.000 0.331 113 W C 0.210 177.012 176.519 0.472 0.000 1.049 113 W CA -0.303 57.206 57.345 0.274 0.000 1.230 113 W CB 1.980 31.484 29.460 0.073 0.000 1.408 113 W HN 0.700 8.880 8.180 -0.000 0.000 0.492 117 N N 4.417 123.187 118.700 0.116 0.000 2.483 117 N HA 0.263 5.004 4.740 0.002 0.000 0.264 117 N C 0.386 175.833 175.510 -0.106 0.000 1.197 117 N CA -0.002 52.979 53.050 -0.114 0.000 0.927 117 N CB 1.376 39.799 38.487 -0.106 0.000 1.065 117 N HN 0.839 9.219 8.380 -0.000 0.000 0.461 118 L N 3.049 124.171 121.223 -0.168 0.000 2.395 118 L HA -0.049 4.292 4.340 0.002 0.000 0.218 118 L C 1.519 178.350 176.870 -0.065 0.000 1.130 118 L CA 0.361 55.152 54.840 -0.082 0.000 0.826 118 L CB -0.238 41.774 42.059 -0.079 0.000 0.941 118 L HN 0.523 8.753 8.230 -0.000 0.000 0.451 119 N N -0.343 118.300 118.700 -0.094 0.000 2.173 119 N HA -0.108 4.633 4.740 0.002 0.000 0.184 119 N C 1.874 177.363 175.510 -0.035 0.000 1.025 119 N CA 1.901 54.915 53.050 -0.061 0.000 0.852 119 N CB -0.158 38.285 38.487 -0.072 0.000 0.998 119 N HN 0.300 8.680 8.380 -0.000 0.000 0.427 120 T N -1.633 112.899 114.554 -0.036 0.000 3.040 120 T HA 0.133 4.484 4.350 0.002 0.000 0.250 120 T C 0.570 175.270 174.700 -0.001 0.000 1.058 120 T CA 0.021 62.112 62.100 -0.016 0.000 0.988 120 T CB 0.164 69.022 68.868 -0.015 0.000 0.993 120 T HN 0.236 8.476 8.240 -0.000 0.000 0.519 121 R N 0.634 121.134 120.500 0.000 0.000 3.722 121 R HA -0.208 4.133 4.340 0.002 0.000 0.284 121 R C -0.599 175.713 176.300 0.020 0.000 1.165 121 R CA 0.821 56.931 56.100 0.017 0.000 0.779 121 R CB -3.170 27.148 30.300 0.030 0.000 1.179 121 R HN 0.505 8.775 8.270 -0.000 0.000 0.491 122 K N 0.907 121.317 120.400 0.016 0.000 2.185 122 K HA 0.342 4.663 4.320 0.002 0.000 0.271 122 K C -2.174 174.441 176.600 0.026 0.000 1.013 122 K CA -2.179 54.119 56.287 0.020 0.000 0.943 122 K CB 0.805 33.316 32.500 0.019 0.000 0.998 122 K HN -0.014 8.236 8.250 -0.000 0.000 0.468 123 P HA -0.056 4.364 4.420 -0.000 0.000 0.268 123 P C -0.533 176.764 177.300 -0.004 0.000 1.204 123 P CA 0.216 63.301 63.100 -0.025 0.000 0.768 123 P CB 0.648 32.301 31.700 -0.078 0.000 0.842 130 H N -0.634 118.424 119.070 -0.020 0.000 2.705 130 H HA 0.241 4.797 4.556 0.002 0.000 0.269 130 H C 1.496 176.829 175.328 0.008 0.000 0.998 130 H CA 0.669 56.715 56.048 -0.003 0.000 1.193 130 H CB 1.118 30.880 29.762 -0.001 0.000 1.485 130 H HN 0.956 9.236 8.280 -0.000 0.000 0.521 131 G N 0.794 109.658 108.800 0.107 0.000 2.498 131 G HA2 -0.125 3.836 3.960 0.002 0.000 0.219 131 G HA3 -0.125 3.836 3.960 0.002 0.000 0.219 131 G C 1.081 176.021 174.900 0.067 0.000 1.119 131 G CA 0.589 45.734 45.100 0.075 0.000 0.766 131 G HN 0.321 8.611 8.290 -0.000 0.000 0.552 132 G N -0.486 108.346 108.800 0.054 0.000 2.535 132 G HA2 0.367 4.328 3.960 0.002 0.000 0.282 132 G HA3 0.367 4.328 3.960 0.002 0.000 0.282 132 G C 1.166 176.121 174.900 0.091 0.000 1.350 132 G CA 0.627 45.773 45.100 0.077 0.000 1.039 132 G HN 0.443 8.733 8.290 -0.000 0.000 0.509 133 S N -1.297 114.503 115.700 0.166 0.000 2.524 133 S HA 0.077 4.548 4.470 0.002 0.000 0.215 133 S C 2.106 176.824 174.600 0.196 0.000 0.986 133 S CA 0.050 58.390 58.200 0.233 0.000 0.911 133 S CB -0.032 63.403 63.200 0.392 0.000 0.805 133 S HN 0.472 8.782 8.310 -0.000 0.000 0.501 134 I N 1.706 122.246 120.570 -0.049 0.000 2.286 134 I HA -0.132 4.039 4.170 0.002 0.000 0.248 134 I C 1.968 177.930 176.117 -0.257 0.000 1.115 134 I CA 1.136 62.110 61.300 -0.543 0.000 1.392 134 I CB -0.062 37.496 38.000 -0.736 0.000 1.065 134 I HN 0.175 8.385 8.210 -0.000 0.000 0.418 135 V N 1.129 120.936 119.914 -0.178 0.000 2.594 135 V HA -0.264 3.857 4.120 0.002 0.000 0.253 135 V C 1.775 177.819 176.094 -0.084 0.000 1.069 135 V CA 1.894 64.108 62.300 -0.144 0.000 1.082 135 V CB -0.900 30.814 31.823 -0.182 0.000 0.680 135 V HN 0.464 8.654 8.190 -0.000 0.000 0.469 136 D N -0.891 119.450 120.400 -0.099 0.000 2.309 136 D HA -0.137 4.503 4.640 0.002 0.000 0.212 136 D C 1.362 177.437 176.300 -0.376 0.000 0.968 136 D CA 1.254 55.112 54.000 -0.237 0.000 0.882 136 D CB -0.095 40.505 40.800 -0.333 0.000 0.918 136 D HN 0.597 8.967 8.370 -0.000 0.000 0.503 137 Y N -0.049 120.245 120.300 -0.010 0.000 2.507 137 Y HA 0.299 4.850 4.550 0.002 0.000 0.254 137 Y C 0.795 176.726 175.900 0.053 0.000 1.171 137 Y CA -0.601 57.537 58.100 0.065 0.000 1.238 137 Y CB 0.224 38.788 38.460 0.173 0.000 1.148 137 Y HN -0.194 8.086 8.280 -0.000 0.000 0.525 138 I N 0.800 121.418 120.570 0.081 0.000 2.741 138 I HA -0.115 4.056 4.170 0.002 0.000 0.288 138 I C 0.127 176.292 176.117 0.080 0.000 1.192 138 I CA 0.534 61.870 61.300 0.062 0.000 1.426 138 I CB 0.156 38.161 38.000 0.010 0.000 1.367 138 I HN 0.215 8.425 8.210 -0.000 0.000 0.563 139 C N 6.699 126.070 119.300 0.119 0.000 2.609 139 C HA 0.377 4.838 4.460 0.002 0.000 0.313 139 C C 0.552 175.560 174.990 0.030 0.000 1.175 139 C CA -0.695 58.364 59.018 0.068 0.000 1.434 139 C CB 1.331 29.134 27.740 0.106 0.000 2.005 139 C HN 0.897 9.127 8.230 -0.000 0.000 0.471 140 D N 2.046 122.411 120.400 -0.059 0.000 2.325 140 D HA 0.078 4.719 4.640 0.002 0.000 0.225 140 D C 0.305 176.514 176.300 -0.152 0.000 1.096 140 D CA 0.024 53.990 54.000 -0.057 0.000 0.844 140 D CB -0.173 40.603 40.800 -0.040 0.000 0.925 140 D HN 0.673 9.043 8.370 -0.000 0.000 0.513 141 E N 2.033 121.994 120.200 -0.398 0.000 2.502 141 E HA 0.106 4.457 4.350 0.002 0.000 0.261 141 E C -2.224 174.215 176.600 -0.268 0.000 0.974 141 E CA -1.286 54.752 56.400 -0.603 0.000 0.936 141 E CB 0.468 29.256 29.700 -1.518 0.000 0.926 141 E HN 0.074 8.434 8.360 -0.000 0.000 0.459 142 P HA 0.131 4.551 4.420 -0.000 0.000 0.275 142 P C -0.866 176.492 177.300 0.096 0.000 1.228 142 P CA -0.451 62.644 63.100 -0.009 0.000 0.786 142 P CB 0.950 32.621 31.700 -0.049 0.000 0.927 143 C N 4.797 124.115 119.300 0.029 0.000 3.287 143 C HA 0.328 4.789 4.460 0.002 0.000 0.260 143 C C -2.384 172.441 174.990 -0.275 0.000 1.133 143 C CA -1.732 57.216 59.018 -0.117 0.000 1.402 143 C CB -0.034 27.816 27.740 0.184 0.000 1.832 143 C HN 0.464 8.694 8.230 -0.000 0.000 0.509 144 P HA 0.240 4.660 4.420 -0.000 0.000 0.218 144 P C -0.356 176.844 177.300 -0.168 0.000 1.793 144 P CA 0.380 63.328 63.100 -0.252 0.000 0.941 144 P CB -0.598 30.965 31.700 -0.227 0.000 1.919 145 I N -4.555 115.952 120.570 -0.105 0.000 2.828 145 I HA 0.743 4.914 4.170 0.002 0.000 0.302 145 I C -0.034 176.079 176.117 -0.008 0.000 1.101 145 I CA -1.644 59.646 61.300 -0.018 0.000 1.031 145 I CB 1.730 39.759 38.000 0.049 0.000 1.231 145 I HN -0.125 8.085 8.210 -0.000 0.000 0.427 146 E N 3.833 124.033 120.200 -0.000 0.000 2.414 146 E HA 0.204 4.555 4.350 0.002 0.000 0.263 146 E C -0.386 176.208 176.600 -0.010 0.000 1.000 146 E CA -0.350 56.047 56.400 -0.006 0.000 0.914 146 E CB 0.204 29.900 29.700 -0.007 0.000 0.948 146 E HN 0.652 9.012 8.360 -0.000 0.000 0.444 147 K N 2.877 123.268 120.400 -0.014 0.000 2.382 147 K HA 0.193 4.514 4.320 0.002 0.000 0.275 147 K C -1.966 174.606 176.600 -0.046 0.000 1.009 147 K CA -1.048 55.225 56.287 -0.023 0.000 0.970 147 K CB 0.497 32.986 32.500 -0.017 0.000 0.934 147 K HN 0.548 8.798 8.250 -0.000 0.000 0.479 148 P HA 0.030 4.450 4.420 -0.000 0.000 0.275 148 P C -0.892 176.344 177.300 -0.108 0.000 1.228 148 P CA -0.256 62.786 63.100 -0.097 0.000 0.786 148 P CB 1.200 32.830 31.700 -0.116 0.000 0.927 149 S N 1.062 116.690 115.700 -0.120 0.000 2.720 149 S HA 0.503 4.974 4.470 0.002 0.000 0.287 149 S C -0.281 174.239 174.600 -0.134 0.000 1.168 149 S CA -1.183 56.947 58.200 -0.117 0.000 0.832 149 S CB 1.168 64.316 63.200 -0.087 0.000 1.166 149 S HN 0.463 8.773 8.310 -0.000 0.000 0.493 150 R N 0.144 120.573 120.500 -0.118 0.000 2.583 150 R HA 0.217 4.558 4.340 0.002 0.000 0.274 150 R C -0.887 175.332 176.300 -0.136 0.000 0.998 150 R CA 0.259 56.288 56.100 -0.119 0.000 1.081 150 R CB -0.253 29.995 30.300 -0.087 0.000 0.940 150 R HN 0.615 8.885 8.270 -0.000 0.000 0.413 151 I N 3.076 123.548 120.570 -0.163 0.000 2.354 151 I HA 0.128 4.298 4.170 0.002 0.000 0.292 151 I C -0.046 176.000 176.117 -0.119 0.000 0.989 151 I CA -0.485 60.687 61.300 -0.214 0.000 1.188 151 I CB 1.740 39.573 38.000 -0.278 0.000 1.342 151 I HN 0.349 8.559 8.210 -0.000 0.000 0.457 152 K N 6.093 126.469 120.400 -0.041 0.000 2.183 152 K HA 0.621 4.942 4.320 0.002 0.000 0.274 152 K C -1.069 175.609 176.600 0.130 0.000 1.009 152 K CA -0.450 55.860 56.287 0.038 0.000 0.888 152 K CB 1.521 34.054 32.500 0.055 0.000 1.078 152 K HN 0.426 8.676 8.250 -0.000 0.000 0.459 153 V N 4.640 124.589 119.914 0.059 0.000 2.443 153 V HA 0.286 4.406 4.120 0.002 0.000 0.293 153 V C 0.910 177.016 176.094 0.019 0.000 1.021 153 V CA -0.480 61.866 62.300 0.076 0.000 0.848 153 V CB 1.609 33.470 31.823 0.064 0.000 0.998 153 V HN 1.057 9.247 8.190 -0.000 0.000 0.424 154 T N 1.368 115.940 114.554 0.030 0.000 3.009 154 T HA -0.016 4.335 4.350 0.002 0.000 0.258 154 T C 1.198 175.905 174.700 0.011 0.000 1.063 154 T CA 0.957 63.061 62.100 0.006 0.000 1.139 154 T CB 0.187 69.059 68.868 0.007 0.000 0.890 154 T HN 0.605 8.845 8.240 -0.000 0.000 0.471 155 S N 2.047 117.780 115.700 0.055 0.000 2.552 155 S HA 0.040 4.511 4.470 0.002 0.000 0.289 155 S C 0.605 175.271 174.600 0.110 0.000 1.304 155 S CA -0.251 58.012 58.200 0.105 0.000 1.063 155 S CB 0.153 63.455 63.200 0.170 0.000 0.848 155 S HN 0.279 8.589 8.310 -0.000 0.000 0.499 156 N N 2.336 121.115 118.700 0.132 0.000 2.291 156 N HA 0.230 4.970 4.740 0.002 0.000 0.244 156 N C -0.340 175.389 175.510 0.365 0.000 1.216 156 N CA 0.118 53.253 53.050 0.141 0.000 0.879 156 N CB 0.642 39.138 38.487 0.014 0.000 1.167 156 N HN 0.770 9.150 8.380 -0.000 0.000 0.515 157 Q N 1.242 121.255 119.800 0.356 0.000 2.347 157 Q HA 0.475 4.816 4.340 0.002 0.000 0.262 157 Q C -2.727 173.302 176.000 0.048 0.000 0.980 157 Q CA -1.911 54.012 55.803 0.201 0.000 0.867 157 Q CB 0.532 29.330 28.738 0.101 0.000 1.242 157 Q HN 0.183 8.453 8.270 -0.000 0.000 0.453 158 P HA 0.175 4.595 4.420 -0.000 0.000 0.275 158 P C 0.692 177.828 177.300 -0.273 0.000 1.227 158 P CA 0.027 62.731 63.100 -0.661 0.000 0.781 158 P CB 1.559 32.838 31.700 -0.701 0.000 0.906 159 V N -0.637 119.139 119.914 -0.230 0.000 3.565 159 V HA 0.602 4.723 4.120 0.002 0.000 0.260 159 V C 0.546 176.565 176.094 -0.126 0.000 1.231 159 V CA 0.740 62.965 62.300 -0.125 0.000 1.100 159 V CB -0.566 31.202 31.823 -0.091 0.000 0.807 159 V HN 0.710 8.900 8.190 -0.000 0.000 0.454 160 A N -1.086 121.665 122.820 -0.116 0.000 2.608 160 A HA 0.753 5.074 4.320 0.002 0.000 0.292 160 A C -0.638 176.964 177.584 0.030 0.000 1.066 160 A CA 0.091 52.069 52.037 -0.097 0.000 0.676 160 A CB 1.580 20.443 19.000 -0.229 0.000 1.277 160 A HN 0.151 8.301 8.150 -0.000 0.000 0.413 161 T N 0.125 114.687 114.554 0.013 0.000 2.909 161 T HA 0.698 5.049 4.350 0.002 0.000 0.299 161 T C -1.967 172.759 174.700 0.043 0.000 1.073 161 T CA -0.249 61.895 62.100 0.074 0.000 0.999 161 T CB 1.123 69.994 68.868 0.005 0.000 1.098 161 T HN 1.490 9.730 8.240 -0.000 0.000 0.477 162 L N 2.754 124.024 121.223 0.078 0.000 2.513 162 L HA 0.606 4.947 4.340 0.002 0.000 0.261 162 L C -0.568 176.279 176.870 -0.039 0.000 0.945 162 L CA -0.152 54.683 54.840 -0.009 0.000 0.848 162 L CB 2.361 44.403 42.059 -0.028 0.000 1.334 162 L HN 0.661 8.891 8.230 -0.000 0.000 0.407 163 T N 3.462 117.966 114.554 -0.083 0.000 2.817 163 T HA 0.690 5.041 4.350 0.002 0.000 0.293 163 T C 0.206 174.810 174.700 -0.160 0.000 0.964 163 T CA 0.100 62.128 62.100 -0.120 0.000 1.085 163 T CB 1.149 69.936 68.868 -0.135 0.000 0.921 163 T HN 0.849 9.089 8.240 -0.000 0.000 0.502 164 A N 4.264 126.980 122.820 -0.174 0.000 2.524 164 A HA 0.355 4.676 4.320 0.002 0.000 0.250 164 A C 0.428 177.867 177.584 -0.241 0.000 1.078 164 A CA 0.158 52.098 52.037 -0.162 0.000 0.761 164 A CB -0.010 18.929 19.000 -0.102 0.000 1.012 164 A HN 0.817 8.967 8.150 -0.000 0.000 0.500 165 K N 0.764 121.132 120.400 -0.053 0.000 2.346 165 K HA 0.335 4.656 4.320 0.002 0.000 0.238 165 K C 0.533 177.343 176.600 0.351 0.000 1.039 165 K CA -0.724 55.621 56.287 0.096 0.000 0.861 165 K CB 0.831 33.391 32.500 0.100 0.000 1.278 165 K HN 0.609 8.859 8.250 -0.000 0.000 0.460 166 Y N 1.529 122.053 120.300 0.373 0.000 2.139 166 Y HA -0.310 4.240 4.550 0.001 0.000 0.282 166 Y C 2.014 177.992 175.900 0.130 0.000 1.179 166 Y CA 2.528 60.770 58.100 0.237 0.000 1.161 166 Y CB -0.394 38.151 38.460 0.142 0.000 0.970 166 Y HN 0.648 8.928 8.280 -0.000 0.000 0.511 167 S N -1.054 114.645 115.700 -0.003 0.000 2.474 167 S HA -0.138 4.333 4.470 0.002 0.000 0.235 167 S C 1.435 175.975 174.600 -0.099 0.000 0.997 167 S CA 1.156 59.275 58.200 -0.136 0.000 0.949 167 S CB -0.324 62.873 63.200 -0.006 0.000 0.766 167 S HN 0.557 8.867 8.310 -0.000 0.000 0.517 168 D N 0.981 121.370 120.400 -0.017 0.000 2.323 168 D HA 0.160 4.801 4.640 0.002 0.000 0.209 168 D C 0.259 176.529 176.300 -0.051 0.000 0.973 168 D CA 0.407 54.398 54.000 -0.015 0.000 0.874 168 D CB 0.131 40.948 40.800 0.028 0.000 0.930 168 D HN 0.386 8.756 8.370 -0.000 0.000 0.521 169 I N 2.608 123.149 120.570 -0.048 0.000 2.359 169 I HA 0.104 4.275 4.170 0.002 0.000 0.294 169 I C 0.549 176.626 176.117 -0.065 0.000 0.987 169 I CA -0.885 60.406 61.300 -0.015 0.000 1.225 169 I CB 1.303 39.347 38.000 0.075 0.000 1.366 169 I HN -0.131 8.079 8.210 -0.000 0.000 0.466 170 D N 4.962 125.340 120.400 -0.038 0.000 2.511 170 D HA 0.151 4.792 4.640 0.002 0.000 0.276 170 D C 1.202 177.475 176.300 -0.046 0.000 1.220 170 D CA -0.520 53.454 54.000 -0.043 0.000 1.077 170 D CB 1.026 41.816 40.800 -0.017 0.000 1.126 170 D HN 0.492 8.862 8.370 -0.000 0.000 0.583 171 I N -0.693 119.856 120.570 -0.036 0.000 2.454 171 I HA -0.218 3.953 4.170 0.002 0.000 0.254 171 I C 0.742 176.822 176.117 -0.062 0.000 1.156 171 I CA 1.007 62.287 61.300 -0.033 0.000 1.433 171 I CB -0.293 37.700 38.000 -0.012 0.000 1.082 171 I HN 0.298 8.508 8.210 -0.000 0.000 0.432 172 N N 0.497 119.131 118.700 -0.110 0.000 2.398 172 N HA 0.150 4.891 4.740 0.002 0.000 0.188 172 N C 0.965 176.197 175.510 -0.462 0.000 1.122 172 N CA 0.643 53.546 53.050 -0.245 0.000 0.866 172 N CB 0.652 39.002 38.487 -0.228 0.000 0.970 172 N HN 0.422 8.802 8.380 -0.000 0.000 0.462 173 G N 0.615 109.272 108.800 -0.238 0.000 2.143 173 G HA2 -0.238 3.723 3.960 0.002 0.000 0.249 173 G HA3 -0.238 3.723 3.960 0.002 0.000 0.249 173 G C -0.466 174.448 174.900 0.022 0.000 0.981 173 G CA -0.166 44.882 45.100 -0.087 0.000 0.665 173 G HN 0.415 8.705 8.290 -0.000 0.000 0.528 174 H N -0.800 118.334 119.070 0.106 0.000 2.573 174 H HA 0.552 5.109 4.556 0.002 0.000 0.351 174 H C 0.433 175.737 175.328 -0.041 0.000 1.163 174 H CA -0.809 55.236 56.048 -0.004 0.000 1.205 174 H CB 1.541 31.285 29.762 -0.030 0.000 1.605 174 H HN 0.067 8.347 8.280 -0.000 0.000 0.525 175 V N 3.349 123.274 119.914 0.018 0.000 2.540 175 V HA -0.124 3.997 4.120 0.002 0.000 0.297 175 V C 0.811 176.816 176.094 -0.148 0.000 1.024 175 V CA -0.162 62.044 62.300 -0.157 0.000 1.105 175 V CB -0.603 30.974 31.823 -0.410 0.000 0.938 175 V HN 0.776 8.966 8.190 -0.000 0.000 0.482 176 N N 3.924 122.545 118.700 -0.132 0.000 2.483 176 N HA 0.116 4.856 4.740 0.002 0.000 0.269 176 N C 0.981 176.486 175.510 -0.008 0.000 1.209 176 N CA 0.184 53.203 53.050 -0.052 0.000 0.969 176 N CB 0.978 39.436 38.487 -0.049 0.000 1.173 176 N HN 0.389 8.768 8.380 -0.000 0.000 0.475 177 S N 0.477 116.188 115.700 0.019 0.000 2.380 177 S HA -0.125 4.345 4.470 0.002 0.000 0.229 177 S C 1.626 176.362 174.600 0.226 0.000 1.043 177 S CA 0.955 59.190 58.200 0.058 0.000 1.038 177 S CB -0.355 62.685 63.200 -0.267 0.000 0.872 177 S HN 0.574 8.884 8.310 -0.000 0.000 0.456 178 I N 1.104 121.710 120.570 0.060 0.000 2.500 178 I HA 0.017 4.187 4.170 0.002 0.000 0.252 178 I C 2.297 178.413 176.117 -0.002 0.000 1.142 178 I CA 0.921 62.234 61.300 0.021 0.000 1.451 178 I CB -1.110 36.843 38.000 -0.078 0.000 1.093 178 I HN 0.195 8.405 8.210 -0.000 0.000 0.430 179 R N 0.153 120.622 120.500 -0.052 0.000 2.115 179 R HA -0.155 4.186 4.340 0.002 0.000 0.230 179 R C 2.237 178.516 176.300 -0.035 0.000 1.111 179 R CA 1.095 57.108 56.100 -0.144 0.000 0.976 179 R CB -0.805 29.407 30.300 -0.147 0.000 0.870 179 R HN 0.338 8.608 8.270 -0.000 0.000 0.445 180 Y N 1.052 121.456 120.300 0.174 0.000 2.181 180 Y HA -0.138 4.413 4.550 0.001 0.000 0.288 180 Y C 2.388 178.429 175.900 0.235 0.000 1.146 180 Y CA 0.959 59.217 58.100 0.262 0.000 1.164 180 Y CB -0.570 38.051 38.460 0.268 0.000 0.982 180 Y HN -0.053 8.227 8.280 -0.000 0.000 0.515 181 I N -0.050 120.731 120.570 0.352 0.000 2.127 181 I HA -0.335 3.836 4.170 0.002 0.000 0.241 181 I C 2.236 178.410 176.117 0.096 0.000 1.075 181 I CA 1.717 63.173 61.300 0.260 0.000 1.334 181 I CB -0.510 37.576 38.000 0.143 0.000 1.040 181 I HN 0.288 8.498 8.210 -0.000 0.000 0.405 182 E N -0.002 120.171 120.200 -0.045 0.000 2.070 182 E HA -0.256 4.095 4.350 0.002 0.000 0.197 182 E C 2.206 178.746 176.600 -0.101 0.000 1.004 182 E CA 1.394 57.702 56.400 -0.153 0.000 0.805 182 E CB -0.221 29.294 29.700 -0.308 0.000 0.744 182 E HN 0.573 8.933 8.360 -0.000 0.000 0.451 183 H N 0.142 119.271 119.070 0.099 0.000 2.389 183 H HA -0.059 4.498 4.556 0.002 0.000 0.299 183 H C 2.271 177.615 175.328 0.025 0.000 1.081 183 H CA 0.942 57.026 56.048 0.058 0.000 1.345 183 H CB -0.193 29.683 29.762 0.190 0.000 1.393 183 H HN 0.199 8.479 8.280 -0.000 0.000 0.520 184 I N 0.587 121.354 120.570 0.329 0.000 2.202 184 I HA -0.239 3.932 4.170 0.002 0.000 0.242 184 I C 2.332 178.612 176.117 0.273 0.000 1.091 184 I CA 0.879 62.374 61.300 0.325 0.000 1.368 184 I CB -0.209 38.068 38.000 0.463 0.000 1.058 184 I HN 0.104 8.314 8.210 -0.000 0.000 0.410 185 L N 0.170 121.572 121.223 0.299 0.000 2.275 185 L HA -0.187 4.154 4.340 0.002 0.000 0.215 185 L C 1.591 178.672 176.870 0.352 0.000 1.119 185 L CA 0.857 55.942 54.840 0.408 0.000 0.790 185 L CB -0.652 41.510 42.059 0.171 0.000 0.919 185 L HN 0.274 8.504 8.230 -0.000 0.000 0.443 186 D N 0.159 120.631 120.400 0.121 0.000 2.371 186 D HA -0.062 4.579 4.640 0.002 0.000 0.221 186 D C 2.231 178.494 176.300 -0.063 0.000 0.986 186 D CA 0.724 54.749 54.000 0.042 0.000 0.899 186 D CB 0.128 40.919 40.800 -0.016 0.000 0.902 186 D HN 0.339 8.709 8.370 -0.000 0.000 0.530 187 L N -0.549 120.539 121.223 -0.224 0.000 2.291 187 L HA -0.030 4.311 4.340 0.002 0.000 0.214 187 L C 0.457 177.019 176.870 -0.513 0.000 1.120 187 L CA 0.419 54.973 54.840 -0.476 0.000 0.799 187 L CB -0.148 41.475 42.059 -0.728 0.000 0.925 187 L HN -0.116 8.114 8.230 -0.000 0.000 0.446 188 F N 0.395 120.346 119.950 0.002 0.000 2.385 188 F HA 0.349 4.877 4.527 0.002 0.000 0.336 188 F C -1.671 174.098 175.800 -0.052 0.000 1.100 188 F CA -3.088 54.836 58.000 -0.126 0.000 1.116 188 F CB -0.243 38.593 39.000 -0.273 0.000 1.166 188 F HN -0.237 8.063 8.300 -0.000 0.000 0.511 189 P HA 0.063 4.483 4.420 -0.000 0.000 0.269 189 P C 0.846 178.194 177.300 0.081 0.000 1.209 189 P CA -0.100 63.014 63.100 0.024 0.000 0.776 189 P CB 0.991 32.674 31.700 -0.028 0.000 0.876 190 I N 2.469 123.110 120.570 0.118 0.000 2.361 190 I HA -0.253 3.918 4.170 0.002 0.000 0.251 190 I C 2.563 178.769 176.117 0.149 0.000 1.133 190 I CA 2.253 63.664 61.300 0.184 0.000 1.413 190 I CB -0.958 37.035 38.000 -0.012 0.000 1.073 190 I HN 0.521 8.731 8.210 -0.000 0.000 0.424 191 E N -0.181 120.045 120.200 0.044 0.000 2.209 191 E HA -0.246 4.105 4.350 0.002 0.000 0.196 191 E C 2.017 178.615 176.600 -0.003 0.000 0.993 191 E CA 1.580 57.995 56.400 0.025 0.000 0.819 191 E CB -1.000 28.695 29.700 -0.008 0.000 0.745 191 E HN 0.408 8.768 8.360 -0.000 0.000 0.477 192 L N -0.616 120.540 121.223 -0.112 0.000 2.027 192 L HA 0.006 4.347 4.340 0.002 0.000 0.206 192 L C 2.323 179.083 176.870 -0.183 0.000 1.074 192 L CA 1.692 56.334 54.840 -0.331 0.000 0.745 192 L CB -0.819 40.789 42.059 -0.753 0.000 0.898 192 L HN 0.469 8.699 8.230 -0.000 0.000 0.433 193 Y N -0.480 119.896 120.300 0.128 0.000 2.373 193 Y HA -0.143 4.408 4.550 0.002 0.000 0.293 193 Y C 2.632 178.691 175.900 0.264 0.000 1.129 193 Y CA 0.968 59.213 58.100 0.242 0.000 1.226 193 Y CB -0.464 38.221 38.460 0.374 0.000 1.000 193 Y HN 0.348 8.628 8.280 -0.000 0.000 0.549 194 Q N -0.954 119.113 119.800 0.445 0.000 2.230 194 Q HA -0.103 4.238 4.340 0.002 0.000 0.202 194 Q C 1.912 178.022 176.000 0.182 0.000 0.963 194 Q CA 1.849 57.864 55.803 0.352 0.000 0.866 194 Q CB -0.013 28.878 28.738 0.255 0.000 0.931 194 Q HN 0.583 8.853 8.270 -0.000 0.000 0.452 195 T N -3.418 111.207 114.554 0.118 0.000 2.969 195 T HA 0.253 4.604 4.350 0.002 0.000 0.250 195 T C 0.500 175.241 174.700 0.067 0.000 1.021 195 T CA -0.232 61.911 62.100 0.071 0.000 1.003 195 T CB 0.539 69.428 68.868 0.034 0.000 1.040 195 T HN -0.105 8.135 8.240 -0.000 0.000 0.492 196 K N 0.732 121.183 120.400 0.086 0.000 2.433 196 K HA 0.690 5.011 4.320 0.002 0.000 0.252 196 K C -0.980 175.749 176.600 0.214 0.000 1.015 196 K CA -1.209 55.158 56.287 0.133 0.000 0.860 196 K CB 2.270 34.853 32.500 0.137 0.000 1.359 196 K HN 0.256 8.506 8.250 -0.000 0.000 0.452 197 R N 0.201 120.823 120.500 0.204 0.000 2.854 197 R HA 0.527 4.868 4.340 0.002 0.000 0.271 197 R C -0.756 175.556 176.300 0.019 0.000 0.994 197 R CA -0.862 55.321 56.100 0.138 0.000 0.945 197 R CB 0.691 31.019 30.300 0.047 0.000 1.194 197 R HN 0.422 8.692 8.270 -0.000 0.000 0.476 198 I N 2.888 123.335 120.570 -0.205 0.000 2.436 198 I HA 0.079 4.249 4.170 0.002 0.000 0.289 198 I C 1.594 177.599 176.117 -0.186 0.000 1.083 198 I CA -0.183 60.852 61.300 -0.443 0.000 1.372 198 I CB 0.972 38.670 38.000 -0.503 0.000 1.408 198 I HN 0.790 9.000 8.210 -0.000 0.000 0.516 199 R N 6.034 126.459 120.500 -0.125 0.000 2.206 199 R HA 0.229 4.570 4.340 0.002 0.000 0.198 199 R C 0.798 177.087 176.300 -0.018 0.000 0.986 199 R CA 0.058 56.132 56.100 -0.042 0.000 1.029 199 R CB 0.382 30.680 30.300 -0.003 0.000 0.966 199 R HN 0.540 8.810 8.270 -0.000 0.000 0.487 200 R N -0.043 120.442 120.500 -0.025 0.000 2.604 200 R HA 0.364 4.705 4.340 0.002 0.000 0.281 200 R C -2.119 174.216 176.300 0.058 0.000 1.020 200 R CA -0.745 55.366 56.100 0.019 0.000 0.899 200 R CB 1.596 31.904 30.300 0.014 0.000 1.205 200 R HN 0.109 8.379 8.270 -0.000 0.000 0.450 201 F N 2.936 122.830 119.950 -0.093 0.000 2.573 201 F HA 0.460 4.988 4.527 0.001 0.000 0.316 201 F C -1.128 174.626 175.800 -0.077 0.000 1.148 201 F CA -0.252 57.690 58.000 -0.097 0.000 0.940 201 F CB 1.777 40.709 39.000 -0.113 0.000 1.214 201 F HN 0.604 8.904 8.300 -0.000 0.000 0.448 205 Y N 2.444 122.630 120.300 -0.191 0.000 2.369 205 Y HA 0.432 4.983 4.550 0.002 0.000 0.337 205 Y C 1.192 176.997 175.900 -0.157 0.000 0.961 205 Y CA -0.223 57.754 58.100 -0.205 0.000 1.186 205 Y CB 1.676 40.035 38.460 -0.168 0.000 1.139 205 Y HN 0.402 8.682 8.280 -0.000 0.000 0.494 206 V N 1.600 121.469 119.914 -0.076 0.000 2.672 206 V HA 0.433 4.554 4.120 0.002 0.000 0.242 206 V C 0.834 176.903 176.094 -0.043 0.000 1.059 206 V CA 0.902 63.163 62.300 -0.066 0.000 1.081 206 V CB -0.055 31.703 31.823 -0.108 0.000 0.752 206 V HN 0.738 8.928 8.190 -0.000 0.000 0.472 207 A N -0.775 122.007 122.820 -0.064 0.000 2.564 207 A HA 0.687 5.008 4.320 0.002 0.000 0.291 207 A C -1.556 175.973 177.584 -0.091 0.000 1.102 207 A CA -0.637 51.362 52.037 -0.063 0.000 0.660 207 A CB 1.155 20.127 19.000 -0.048 0.000 1.283 207 A HN 0.053 8.203 8.150 -0.000 0.000 0.430 208 E N 0.555 120.660 120.200 -0.158 0.000 2.242 208 E HA 0.668 5.019 4.350 0.002 0.000 0.275 208 E C -0.700 175.673 176.600 -0.377 0.000 1.002 208 E CA -0.315 55.896 56.400 -0.315 0.000 0.841 208 E CB 1.820 31.129 29.700 -0.652 0.000 1.109 208 E HN 0.473 8.833 8.360 -0.000 0.000 0.394 209 S N 1.060 116.554 115.700 -0.344 0.000 2.566 209 S HA 0.640 5.111 4.470 0.002 0.000 0.298 209 S C -0.998 173.310 174.600 -0.486 0.000 1.083 209 S CA -0.626 57.385 58.200 -0.315 0.000 0.978 209 S CB 0.650 63.851 63.200 0.002 0.000 1.073 209 S HN 0.304 8.614 8.310 -0.000 0.000 0.491 210 Y N 0.145 120.531 120.300 0.144 0.000 2.630 210 Y HA 0.538 5.088 4.550 0.001 0.000 0.337 210 Y C -0.066 175.922 175.900 0.146 0.000 1.051 210 Y CA -1.549 56.656 58.100 0.174 0.000 1.121 210 Y CB 0.519 39.085 38.460 0.176 0.000 1.299 210 Y HN 0.675 8.955 8.280 -0.000 0.000 0.498 211 F N 1.571 121.659 119.950 0.230 0.000 2.608 211 F HA 0.347 4.876 4.527 0.003 0.000 0.380 211 F C 1.189 177.064 175.800 0.125 0.000 1.083 211 F CA 1.740 59.823 58.000 0.139 0.000 1.266 211 F CB 0.161 39.235 39.000 0.124 0.000 1.076 211 F HN 0.749 9.049 8.300 -0.000 0.000 0.574 212 G N 3.294 111.615 108.800 -0.798 0.000 2.225 212 G HA2 -0.286 3.675 3.960 0.002 0.000 0.254 212 G HA3 -0.286 3.675 3.960 0.002 0.000 0.254 212 G C -0.026 174.775 174.900 -0.166 0.000 0.988 212 G CA 0.103 44.905 45.100 -0.497 0.000 0.625 212 G HN 0.706 8.996 8.290 -0.000 0.000 0.527 213 D N 1.137 121.502 120.400 -0.059 0.000 2.414 213 D HA 0.358 4.999 4.640 0.002 0.000 0.242 213 D C 0.574 176.851 176.300 -0.039 0.000 1.129 213 D CA 0.177 54.179 54.000 0.003 0.000 0.885 213 D CB 0.871 41.710 40.800 0.064 0.000 1.198 213 D HN 0.509 8.879 8.370 -0.000 0.000 0.437 214 E N 2.628 122.818 120.200 -0.017 0.000 2.152 214 E HA 0.185 4.535 4.350 0.002 0.000 0.285 214 E C -0.740 175.854 176.600 -0.011 0.000 1.043 214 E CA -0.486 55.903 56.400 -0.019 0.000 0.839 214 E CB 0.405 30.100 29.700 -0.008 0.000 1.069 214 E HN 0.345 8.705 8.360 -0.000 0.000 0.399 215 L N 4.085 125.297 121.223 -0.018 0.000 2.276 215 L HA 0.276 4.617 4.340 0.002 0.000 0.286 215 L C 0.105 176.936 176.870 -0.064 0.000 1.061 215 L CA -0.579 54.218 54.840 -0.072 0.000 0.807 215 L CB 1.402 43.408 42.059 -0.088 0.000 1.177 215 L HN 0.525 8.755 8.230 -0.000 0.000 0.429 216 S N 1.843 117.463 115.700 -0.132 0.000 2.537 216 S HA 0.756 5.227 4.470 0.002 0.000 0.301 216 S C -0.828 173.576 174.600 -0.326 0.000 1.092 216 S CA -0.732 57.396 58.200 -0.120 0.000 1.048 216 S CB 1.549 64.689 63.200 -0.099 0.000 1.053 216 S HN 0.254 8.564 8.310 -0.000 0.000 0.501 217 F N 1.369 121.134 119.950 -0.309 0.000 2.493 217 F HA 0.655 5.182 4.527 0.000 0.000 0.329 217 F C -0.763 174.791 175.800 -0.410 0.000 1.126 217 F CA -1.049 56.847 58.000 -0.172 0.000 0.937 217 F CB 1.249 40.183 39.000 -0.109 0.000 1.146 217 F HN 0.503 8.803 8.300 -0.000 0.000 0.442 218 F N 1.951 121.975 119.950 0.123 0.000 2.546 218 F HA 0.659 5.185 4.527 -0.001 0.000 0.320 218 F C -0.274 175.594 175.800 0.112 0.000 1.076 218 F CA -1.239 56.814 58.000 0.089 0.000 0.928 218 F CB 1.821 40.847 39.000 0.043 0.000 1.189 218 F HN 0.436 8.736 8.300 -0.000 0.000 0.465 219 C N 2.377 121.841 119.300 0.274 0.000 2.608 219 C HA 0.585 5.046 4.460 0.002 0.000 0.325 219 C C -1.586 173.532 174.990 0.214 0.000 1.147 219 C CA -0.583 58.582 59.018 0.246 0.000 1.359 219 C CB 0.697 28.556 27.740 0.199 0.000 1.912 219 C HN 0.784 9.014 8.230 -0.000 0.000 0.466 220 D N 3.298 123.819 120.400 0.202 0.000 2.256 220 D HA 0.279 4.920 4.640 0.002 0.000 0.240 220 D C -0.432 175.901 176.300 0.055 0.000 1.062 220 D CA 0.159 54.215 54.000 0.094 0.000 0.832 220 D CB 1.786 42.594 40.800 0.013 0.000 1.135 220 D HN 0.707 9.077 8.370 -0.000 0.000 0.484 221 E N 2.052 122.245 120.200 -0.012 0.000 2.046 221 E HA 0.159 4.510 4.350 0.002 0.000 0.279 221 E C 1.098 177.529 176.600 -0.281 0.000 0.989 221 E CA -0.435 55.820 56.400 -0.242 0.000 0.798 221 E CB 0.863 30.427 29.700 -0.225 0.000 1.086 221 E HN 0.303 8.663 8.360 -0.000 0.000 0.399 222 V N 1.581 121.280 119.914 -0.359 0.000 2.788 222 V HA 0.065 4.186 4.120 0.002 0.000 0.251 222 V C 0.644 176.603 176.094 -0.226 0.000 1.068 222 V CA 1.186 63.307 62.300 -0.298 0.000 1.090 222 V CB -0.203 31.373 31.823 -0.412 0.000 0.710 222 V HN 0.476 8.666 8.190 -0.000 0.000 0.467 223 S N -1.531 114.010 115.700 -0.265 0.000 2.705 223 S HA 0.477 4.948 4.470 0.002 0.000 0.280 223 S C 0.536 174.980 174.600 -0.260 0.000 1.174 223 S CA 0.235 58.318 58.200 -0.195 0.000 0.823 223 S CB 1.534 64.657 63.200 -0.128 0.000 1.162 223 S HN 0.141 8.451 8.310 -0.000 0.000 0.487 224 E N 0.813 120.916 120.200 -0.162 0.000 2.219 224 E HA -0.085 4.266 4.350 0.002 0.000 0.198 224 E C 0.947 177.458 176.600 -0.149 0.000 0.998 224 E CA 1.932 58.250 56.400 -0.136 0.000 0.818 224 E CB -0.143 29.522 29.700 -0.059 0.000 0.741 224 E HN 0.561 8.921 8.360 -0.000 0.000 0.477 225 N N -0.330 118.299 118.700 -0.118 0.000 2.171 225 N HA 0.056 4.797 4.740 0.002 0.000 0.212 225 N C -0.709 174.856 175.510 0.091 0.000 1.184 225 N CA 0.044 53.128 53.050 0.056 0.000 0.888 225 N CB 0.802 39.348 38.487 0.098 0.000 1.038 225 N HN 0.168 8.548 8.380 -0.000 0.000 0.517 226 E N 0.175 120.258 120.200 -0.194 0.000 2.176 226 E HA 0.363 4.714 4.350 0.002 0.000 0.267 226 E C -1.375 175.039 176.600 -0.310 0.000 0.893 226 E CA -0.405 55.953 56.400 -0.070 0.000 0.761 226 E CB 0.875 30.557 29.700 -0.030 0.000 1.133 226 E HN -0.175 8.185 8.360 -0.000 0.000 0.409 227 F N 2.280 122.360 119.950 0.216 0.000 2.540 227 F HA 0.393 4.920 4.527 0.000 0.000 0.317 227 F C -0.093 175.951 175.800 0.407 0.000 1.104 227 F CA -0.649 57.516 58.000 0.275 0.000 0.913 227 F CB 1.717 40.983 39.000 0.444 0.000 1.170 227 F HN 0.437 8.737 8.300 -0.000 0.000 0.450 228 H N 1.797 121.035 119.070 0.280 0.000 2.466 228 H HA 0.726 5.283 4.556 0.002 0.000 0.338 228 H C -1.120 174.331 175.328 0.205 0.000 1.091 228 H CA -1.165 54.988 56.048 0.176 0.000 1.207 228 H CB 2.318 32.129 29.762 0.081 0.000 1.466 228 H HN 0.323 8.603 8.280 -0.000 0.000 0.493 229 V N 2.742 122.825 119.914 0.282 0.000 2.656 229 V HA 0.213 4.334 4.120 0.002 0.000 0.307 229 V C -0.284 175.893 176.094 0.138 0.000 1.051 229 V CA -0.752 61.696 62.300 0.246 0.000 0.893 229 V CB 2.154 34.150 31.823 0.287 0.000 0.999 229 V HN 0.781 8.971 8.190 -0.000 0.000 0.426 230 E N 2.535 122.833 120.200 0.164 0.000 2.210 230 E HA 0.678 5.029 4.350 0.002 0.000 0.266 230 E C -1.752 174.914 176.600 0.109 0.000 0.883 230 E CA -0.521 55.920 56.400 0.070 0.000 0.761 230 E CB 2.253 31.957 29.700 0.006 0.000 1.156 230 E HN 0.487 8.847 8.360 -0.000 0.000 0.412 231 V N 4.426 124.299 119.914 -0.068 0.000 2.398 231 V HA 0.421 4.542 4.120 0.002 0.000 0.286 231 V C -0.240 175.778 176.094 -0.127 0.000 1.026 231 V CA -0.673 61.490 62.300 -0.229 0.000 0.868 231 V CB 1.412 33.006 31.823 -0.382 0.000 0.982 231 V HN 0.620 8.810 8.190 -0.000 0.000 0.443 232 K N 3.780 124.158 120.400 -0.036 0.000 2.259 232 K HA 0.595 4.916 4.320 0.002 0.000 0.249 232 K C -0.667 175.928 176.600 -0.008 0.000 0.942 232 K CA -0.969 55.320 56.287 0.003 0.000 0.816 232 K CB 2.666 35.222 32.500 0.092 0.000 1.155 232 K HN 0.780 9.030 8.250 -0.000 0.000 0.428 233 K N 1.403 121.802 120.400 -0.000 0.000 2.164 233 K HA 0.286 4.607 4.320 0.002 0.000 0.258 233 K C -0.406 176.215 176.600 0.035 0.000 0.951 233 K CA -0.651 55.647 56.287 0.017 0.000 0.844 233 K CB 0.857 33.375 32.500 0.030 0.000 1.099 233 K HN 0.464 8.714 8.250 -0.000 0.000 0.435 234 N N 1.449 120.171 118.700 0.037 0.000 2.707 234 N HA -0.265 4.476 4.740 0.002 0.000 0.253 234 N C 0.782 176.319 175.510 0.045 0.000 0.998 234 N CA 1.575 54.649 53.050 0.040 0.000 0.751 234 N CB -1.315 37.200 38.487 0.047 0.000 0.920 234 N HN 1.142 9.522 8.380 -0.000 0.000 0.539 235 G N -1.571 107.266 108.800 0.061 0.000 2.729 235 G HA2 -0.386 3.575 3.960 0.002 0.000 0.216 235 G HA3 -0.386 3.575 3.960 0.002 0.000 0.216 235 G C 0.837 175.780 174.900 0.072 0.000 1.252 235 G CA 1.149 46.298 45.100 0.081 0.000 0.751 235 G HN 1.201 9.491 8.290 -0.000 0.000 0.527 236 S N 0.169 115.886 115.700 0.029 0.000 2.619 236 S HA 0.400 4.871 4.470 0.002 0.000 0.238 236 S C 0.387 174.965 174.600 -0.036 0.000 1.068 236 S CA 0.818 59.012 58.200 -0.010 0.000 0.926 236 S CB 0.545 63.743 63.200 -0.004 0.000 0.864 236 S HN 0.631 8.941 8.310 -0.000 0.000 0.493 237 E N 2.239 122.428 120.200 -0.018 0.000 2.146 237 E HA 0.480 4.831 4.350 0.002 0.000 0.282 237 E C -1.168 175.402 176.600 -0.050 0.000 0.989 237 E CA -0.690 55.693 56.400 -0.028 0.000 0.799 237 E CB 1.954 31.653 29.700 -0.002 0.000 1.088 237 E HN 0.079 8.439 8.360 -0.000 0.000 0.397 238 V N 4.135 124.002 119.914 -0.078 0.000 2.521 238 V HA -0.058 4.063 4.120 0.002 0.000 0.286 238 V C 1.247 177.278 176.094 -0.105 0.000 1.034 238 V CA 0.218 62.456 62.300 -0.104 0.000 1.045 238 V CB 0.812 32.561 31.823 -0.122 0.000 0.974 238 V HN 0.719 8.909 8.190 -0.000 0.000 0.480 239 V N 2.182 122.015 119.914 -0.135 0.000 3.085 239 V HA 0.251 4.372 4.120 0.002 0.000 0.245 239 V C 0.672 176.585 176.094 -0.303 0.000 1.114 239 V CA 0.666 62.862 62.300 -0.173 0.000 1.108 239 V CB 0.099 31.852 31.823 -0.117 0.000 0.798 239 V HN 0.914 9.104 8.190 -0.000 0.000 0.471 240 C N -0.559 118.532 119.300 -0.349 0.000 3.311 240 C HA 0.831 5.292 4.460 0.002 0.000 0.325 240 C C -0.713 174.097 174.990 -0.299 0.000 1.352 240 C CA -1.026 57.742 59.018 -0.415 0.000 1.308 240 C CB 1.616 28.945 27.740 -0.685 0.000 1.619 240 C HN 0.574 8.804 8.230 -0.000 0.000 0.469 241 R N 0.624 120.938 120.500 -0.310 0.000 2.837 241 R HA 0.876 5.217 4.340 0.002 0.000 0.271 241 R C -1.007 175.125 176.300 -0.280 0.000 0.993 241 R CA -0.250 55.716 56.100 -0.223 0.000 0.931 241 R CB 2.203 32.389 30.300 -0.190 0.000 1.206 241 R HN 0.958 9.228 8.270 -0.000 0.000 0.474 242 S N 0.525 116.107 115.700 -0.196 0.000 2.556 242 S HA 0.438 4.908 4.470 0.002 0.000 0.271 242 S C -1.736 172.756 174.600 -0.179 0.000 1.135 242 S CA -0.816 57.230 58.200 -0.257 0.000 0.858 242 S CB 1.562 64.671 63.200 -0.153 0.000 1.114 242 S HN 0.515 8.825 8.310 -0.000 0.000 0.468 243 K N 2.865 123.096 120.400 -0.281 0.000 2.397 243 K HA 0.727 5.048 4.320 0.002 0.000 0.253 243 K C -1.838 174.715 176.600 -0.078 0.000 0.932 243 K CA -0.667 55.538 56.287 -0.137 0.000 0.795 243 K CB 1.631 33.976 32.500 -0.258 0.000 1.159 243 K HN 0.481 8.731 8.250 -0.000 0.000 0.424 244 V N 5.857 125.859 119.914 0.147 0.000 2.443 244 V HA 0.454 4.575 4.120 0.002 0.000 0.293 244 V C -0.461 175.721 176.094 0.146 0.000 1.021 244 V CA -0.777 61.598 62.300 0.125 0.000 0.848 244 V CB 1.397 33.275 31.823 0.091 0.000 0.998 244 V HN 0.694 8.884 8.190 -0.000 0.000 0.424 245 I N 5.060 125.636 120.570 0.011 0.000 2.355 245 I HA 0.493 4.663 4.170 0.002 0.000 0.288 245 I C -0.704 175.372 176.117 -0.068 0.000 0.999 245 I CA -0.208 61.129 61.300 0.063 0.000 1.163 245 I CB 1.404 39.436 38.000 0.055 0.000 1.316 245 I HN 0.397 8.607 8.210 -0.000 0.000 0.454 246 F N 4.739 124.714 119.950 0.041 0.000 2.403 246 F HA 0.483 5.011 4.527 0.002 0.000 0.326 246 F C 0.664 176.470 175.800 0.010 0.000 1.081 246 F CA -0.233 57.765 58.000 -0.003 0.000 1.041 246 F CB 1.272 40.255 39.000 -0.028 0.000 1.234 246 F HN 0.507 8.807 8.300 -0.000 0.000 0.503 247 E N 0.000 120.321 120.200 0.201 0.000 2.725 247 E HA 0.000 4.351 4.350 0.002 0.000 0.291 247 E CA 0.000 56.477 56.400 0.129 0.000 0.976 247 E CB 0.000 29.746 29.700 0.077 0.000 0.812 247 E HN 0.000 8.360 8.360 -0.000 0.000 0.440