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 1ib6_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKVAVLGAAG GIGQALALLL KTQLPSGSEL SLYDIAPVTP GVAVDLSHIP DATA SEQUENCE TAVKIKGFSG EDATPALEGA DVVLISAGVA RKPGMDRSDL FNVNAGIVKN DATA SEQUENCE LVQQVAKTCP KACIGIITNP VNTTVAIAAE VLKKAGVYDK NKLFGVTTLD DATA SEQUENCE IICSNTFVAE LKGKQPGEVE VPVIGGHSGV TILPLLSQVP GVSFTEQEVA DATA SEQUENCE DLTKRIQNAG TEVVEAKAGG GSATLSMGQA AARFGLSLVR ALQGEQGVVE DATA SEQUENCE CAYVEGDGQY ARFFSQPLLL GKNGVEERKS IGTLSAFEQN ALEGMLDTLK DATA SEQUENCE KDIALGQEFV NK 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 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.601 32.600 0.001 0.000 1.302 2 K N 1.984 122.393 120.400 0.015 0.000 2.323 2 K HA 0.748 5.056 4.320 -0.020 0.000 0.259 2 K C -2.030 174.585 176.600 0.025 0.000 0.947 2 K CA -0.678 55.623 56.287 0.024 0.000 0.819 2 K CB 2.140 34.657 32.500 0.028 0.000 1.109 2 K HN 0.617 8.867 8.250 -0.000 0.000 0.429 3 V N 3.065 122.996 119.914 0.029 0.000 2.435 3 V HA 0.624 4.733 4.120 -0.020 0.000 0.290 3 V C -0.417 175.707 176.094 0.050 0.000 1.030 3 V CA -0.828 61.491 62.300 0.032 0.000 0.881 3 V CB 1.375 33.211 31.823 0.022 0.000 0.983 3 V HN 0.926 9.116 8.190 -0.000 0.000 0.445 4 A N 4.649 127.502 122.820 0.054 0.000 2.318 4 A HA 0.817 5.125 4.320 -0.020 0.000 0.324 4 A C -0.810 176.823 177.584 0.081 0.000 1.170 4 A CA -0.513 51.567 52.037 0.071 0.000 0.810 4 A CB 1.422 20.454 19.000 0.054 0.000 1.198 4 A HN 0.652 8.802 8.150 -0.000 0.000 0.484 5 V N 4.239 124.213 119.914 0.100 0.000 2.334 5 V HA 0.322 4.430 4.120 -0.020 0.000 0.281 5 V C -0.341 175.836 176.094 0.138 0.000 1.016 5 V CA -0.173 62.185 62.300 0.097 0.000 0.832 5 V CB 0.943 32.811 31.823 0.075 0.000 0.999 5 V HN 0.741 8.931 8.190 -0.000 0.000 0.439 6 L N 4.628 125.935 121.223 0.139 0.000 2.280 6 L HA 0.734 5.062 4.340 -0.020 0.000 0.287 6 L C 0.962 177.911 176.870 0.132 0.000 1.023 6 L CA -0.208 54.758 54.840 0.210 0.000 0.819 6 L CB 1.339 43.515 42.059 0.194 0.000 1.212 6 L HN 0.910 9.140 8.230 -0.000 0.000 0.420 7 G N 2.231 111.087 108.800 0.092 0.000 2.226 7 G HA2 -0.166 3.783 3.960 -0.020 0.000 0.176 7 G HA3 -0.166 3.783 3.960 -0.020 0.000 0.176 7 G C 0.639 175.539 174.900 0.001 0.000 1.042 7 G CA 0.007 45.118 45.100 0.018 0.000 0.732 7 G HN 0.799 9.089 8.290 -0.000 0.000 0.494 8 A N -0.583 122.236 122.820 -0.002 0.000 2.119 8 A HA 0.567 4.875 4.320 -0.020 0.000 0.217 8 A C 2.455 180.025 177.584 -0.023 0.000 1.153 8 A CA 1.923 53.959 52.037 -0.000 0.000 0.692 8 A CB -0.156 18.859 19.000 0.025 0.000 0.799 8 A HN 1.799 9.949 8.150 -0.000 0.000 0.458 9 A N -0.418 122.374 122.820 -0.046 0.000 2.218 9 A HA 0.476 4.785 4.320 -0.020 0.000 0.209 9 A C 1.462 179.024 177.584 -0.036 0.000 1.168 9 A CA 0.688 52.697 52.037 -0.047 0.000 0.804 9 A CB -0.669 18.292 19.000 -0.065 0.000 0.834 9 A HN 0.601 8.751 8.150 -0.000 0.000 0.482 10 G N -1.437 107.345 108.800 -0.031 0.000 2.570 10 G HA2 0.375 4.323 3.960 -0.020 0.000 0.276 10 G HA3 0.375 4.323 3.960 -0.020 0.000 0.276 10 G C 1.141 176.030 174.900 -0.018 0.000 1.346 10 G CA 0.050 45.136 45.100 -0.024 0.000 1.034 10 G HN 0.388 8.678 8.290 -0.000 0.000 0.512 11 G N -0.608 108.183 108.800 -0.015 0.000 2.459 11 G HA2 -0.200 3.748 3.960 -0.020 0.000 0.217 11 G HA3 -0.200 3.748 3.960 -0.020 0.000 0.217 11 G C 1.710 176.604 174.900 -0.010 0.000 1.183 11 G CA 1.095 46.187 45.100 -0.012 0.000 0.776 11 G HN 0.483 8.773 8.290 -0.000 0.000 0.552 12 I N 1.227 121.792 120.570 -0.010 0.000 2.202 12 I HA -0.052 4.106 4.170 -0.020 0.000 0.242 12 I C 3.106 179.220 176.117 -0.005 0.000 1.091 12 I CA 0.997 62.292 61.300 -0.009 0.000 1.368 12 I CB -0.539 37.455 38.000 -0.011 0.000 1.058 12 I HN 0.247 8.457 8.210 -0.000 0.000 0.410 13 G N -0.066 108.732 108.800 -0.004 0.000 2.450 13 G HA2 -0.236 3.712 3.960 -0.020 0.000 0.220 13 G HA3 -0.236 3.712 3.960 -0.020 0.000 0.220 13 G C 1.606 176.505 174.900 -0.001 0.000 1.130 13 G CA 0.468 45.569 45.100 0.002 0.000 0.760 13 G HN 0.418 8.708 8.290 -0.000 0.000 0.557 14 Q N -0.136 119.660 119.800 -0.008 0.000 2.137 14 Q HA 0.154 4.482 4.340 -0.020 0.000 0.198 14 Q C 3.029 179.024 176.000 -0.008 0.000 0.960 14 Q CA 0.824 56.621 55.803 -0.011 0.000 0.847 14 Q CB -0.122 28.606 28.738 -0.016 0.000 0.915 14 Q HN 0.472 8.742 8.270 -0.000 0.000 0.448 15 A N 1.143 123.959 122.820 -0.006 0.000 1.873 15 A HA -0.177 4.131 4.320 -0.020 0.000 0.215 15 A C 2.058 179.641 177.584 -0.002 0.000 1.186 15 A CA 1.140 53.173 52.037 -0.005 0.000 0.616 15 A CB -0.645 18.351 19.000 -0.006 0.000 0.823 15 A HN 0.340 8.490 8.150 -0.000 0.000 0.442 16 L N -0.066 121.157 121.223 0.001 0.000 2.017 16 L HA -0.079 4.249 4.340 -0.020 0.000 0.208 16 L C 2.640 179.514 176.870 0.008 0.000 1.073 16 L CA 2.424 57.268 54.840 0.007 0.000 0.745 16 L CB -0.895 41.172 42.059 0.012 0.000 0.894 16 L HN 0.335 8.565 8.230 -0.000 0.000 0.432 17 A N -0.461 122.364 122.820 0.008 0.000 1.908 17 A HA -0.202 4.106 4.320 -0.020 0.000 0.218 17 A C 2.384 179.969 177.584 0.003 0.000 1.181 17 A CA 1.996 54.038 52.037 0.008 0.000 0.627 17 A CB -1.008 17.996 19.000 0.006 0.000 0.818 17 A HN 0.554 8.704 8.150 -0.000 0.000 0.445 18 L N -0.488 120.734 121.223 -0.002 0.000 1.989 18 L HA -0.196 4.132 4.340 -0.020 0.000 0.211 18 L C 2.558 179.428 176.870 -0.001 0.000 1.071 18 L CA 1.843 56.682 54.840 -0.003 0.000 0.749 18 L CB -0.411 41.645 42.059 -0.005 0.000 0.890 18 L HN 0.449 8.679 8.230 -0.000 0.000 0.431 19 L N -0.583 120.640 121.223 -0.001 0.000 2.079 19 L HA -0.284 4.044 4.340 -0.020 0.000 0.210 19 L C 2.552 179.422 176.870 -0.001 0.000 1.081 19 L CA 1.137 55.977 54.840 -0.001 0.000 0.752 19 L CB -0.463 41.596 42.059 -0.001 0.000 0.896 19 L HN 0.335 8.565 8.230 -0.000 0.000 0.433 20 L N -0.274 120.950 121.223 0.002 0.000 2.093 20 L HA -0.187 4.141 4.340 -0.020 0.000 0.208 20 L C 2.652 179.524 176.870 0.002 0.000 1.085 20 L CA 0.892 55.733 54.840 0.002 0.000 0.755 20 L CB -0.394 41.669 42.059 0.007 0.000 0.904 20 L HN 0.189 8.419 8.230 -0.000 0.000 0.435 21 K N 0.562 120.965 120.400 0.004 0.000 2.147 21 K HA -0.146 4.162 4.320 -0.020 0.000 0.205 21 K C 1.806 178.409 176.600 0.005 0.000 1.049 21 K CA 1.972 58.263 56.287 0.006 0.000 0.936 21 K CB -0.347 32.156 32.500 0.005 0.000 0.722 21 K HN 0.388 8.638 8.250 -0.000 0.000 0.446 22 T N -2.983 111.573 114.554 0.002 0.000 3.060 22 T HA 0.159 4.497 4.350 -0.020 0.000 0.249 22 T C 1.386 176.085 174.700 -0.001 0.000 1.079 22 T CA 0.025 62.126 62.100 0.002 0.000 1.013 22 T CB 0.186 69.054 68.868 0.001 0.000 0.975 22 T HN 0.234 8.474 8.240 -0.000 0.000 0.518 23 Q N -0.268 119.530 119.800 -0.003 0.000 2.179 23 Q HA 0.436 4.764 4.340 -0.020 0.000 0.244 23 Q C 0.063 176.056 176.000 -0.010 0.000 0.808 23 Q CA -0.232 55.566 55.803 -0.007 0.000 0.955 23 Q CB 0.787 29.519 28.738 -0.010 0.000 1.141 23 Q HN 0.436 8.706 8.270 -0.000 0.000 0.485 24 L N 2.420 123.638 121.223 -0.008 0.000 2.452 24 L HA 0.200 4.529 4.340 -0.020 0.000 0.267 24 L C -2.030 174.835 176.870 -0.009 0.000 1.188 24 L CA -1.731 53.102 54.840 -0.011 0.000 0.821 24 L CB 0.163 42.218 42.059 -0.006 0.000 1.102 24 L HN -0.113 8.117 8.230 -0.000 0.000 0.470 25 P HA 0.024 4.444 4.420 -0.000 0.000 0.268 25 P C -0.840 176.457 177.300 -0.004 0.000 1.208 25 P CA -0.147 62.947 63.100 -0.008 0.000 0.777 25 P CB 0.467 32.160 31.700 -0.011 0.000 0.875 26 S N 0.916 116.615 115.700 -0.002 0.000 2.568 26 S HA 0.355 4.813 4.470 -0.020 0.000 0.282 26 S C 1.486 176.087 174.600 0.002 0.000 1.338 26 S CA 0.794 58.995 58.200 0.001 0.000 1.045 26 S CB -0.197 63.003 63.200 0.001 0.000 0.873 26 S HN 0.930 9.240 8.310 -0.000 0.000 0.516 27 G N 1.764 110.568 108.800 0.005 0.000 2.179 27 G HA2 -0.262 3.686 3.960 -0.020 0.000 0.260 27 G HA3 -0.262 3.686 3.960 -0.020 0.000 0.260 27 G C 0.230 175.135 174.900 0.008 0.000 0.977 27 G CA 0.240 45.344 45.100 0.007 0.000 0.641 27 G HN 0.684 8.974 8.290 -0.000 0.000 0.533 28 S N -0.258 115.447 115.700 0.007 0.000 2.632 28 S HA 0.583 5.041 4.470 -0.020 0.000 0.267 28 S C 0.142 174.751 174.600 0.016 0.000 1.276 28 S CA -0.226 57.979 58.200 0.008 0.000 0.998 28 S CB 1.857 65.059 63.200 0.004 0.000 0.953 28 S HN 0.445 8.755 8.310 -0.000 0.000 0.547 29 E N 0.307 120.519 120.200 0.021 0.000 2.248 29 E HA 0.540 4.878 4.350 -0.020 0.000 0.267 29 E C -1.822 174.800 176.600 0.038 0.000 0.877 29 E CA -0.654 55.765 56.400 0.032 0.000 0.759 29 E CB 1.514 31.236 29.700 0.038 0.000 1.182 29 E HN 0.257 8.617 8.360 -0.000 0.000 0.418 30 L N 2.992 124.242 121.223 0.046 0.000 2.381 30 L HA 0.478 4.806 4.340 -0.020 0.000 0.274 30 L C -1.262 175.658 176.870 0.083 0.000 0.988 30 L CA -0.295 54.577 54.840 0.053 0.000 0.824 30 L CB 1.780 43.861 42.059 0.037 0.000 1.263 30 L HN 0.498 8.728 8.230 -0.000 0.000 0.410 31 S N 5.456 121.224 115.700 0.113 0.000 2.521 31 S HA 0.835 5.293 4.470 -0.020 0.000 0.295 31 S C -0.933 173.781 174.600 0.190 0.000 1.098 31 S CA -0.829 57.485 58.200 0.191 0.000 0.999 31 S CB 1.269 64.619 63.200 0.250 0.000 1.034 31 S HN 0.570 8.880 8.310 -0.000 0.000 0.483 32 L N 3.285 124.637 121.223 0.215 0.000 2.329 32 L HA 0.644 4.972 4.340 -0.020 0.000 0.279 32 L C -1.193 175.862 176.870 0.308 0.000 1.014 32 L CA -0.988 53.963 54.840 0.185 0.000 0.814 32 L CB 1.498 43.606 42.059 0.080 0.000 1.257 32 L HN 0.879 9.109 8.230 -0.000 0.000 0.424 33 Y N 2.381 122.758 120.300 0.129 0.000 2.433 33 Y HA 0.573 5.123 4.550 -0.001 0.000 0.337 33 Y C -1.453 174.490 175.900 0.072 0.000 1.026 33 Y CA -0.592 57.585 58.100 0.129 0.000 1.037 33 Y CB 1.754 40.274 38.460 0.101 0.000 1.245 33 Y HN 0.604 8.884 8.280 -0.000 0.000 0.443 34 D N 4.558 124.414 120.400 -0.907 0.000 2.622 34 D HA 0.212 4.840 4.640 -0.020 0.000 0.255 34 D C 0.382 176.249 176.300 -0.723 0.000 1.246 34 D CA -0.336 53.240 54.000 -0.707 0.000 0.795 34 D CB 1.813 42.450 40.800 -0.272 0.000 1.369 34 D HN 0.724 9.094 8.370 -0.000 0.000 0.425 35 I N -0.798 119.525 120.570 -0.412 0.000 3.059 35 I HA 0.332 4.490 4.170 -0.020 0.000 0.270 35 I C 1.023 177.062 176.117 -0.129 0.000 1.238 35 I CA -0.033 61.147 61.300 -0.202 0.000 1.478 35 I CB -0.090 37.862 38.000 -0.080 0.000 1.097 35 I HN 0.208 8.418 8.210 -0.000 0.000 0.455 36 A N 3.793 126.532 122.820 -0.136 0.000 2.546 36 A HA 0.180 4.488 4.320 -0.020 0.000 0.243 36 A C -1.155 176.381 177.584 -0.080 0.000 1.063 36 A CA -0.781 51.203 52.037 -0.088 0.000 0.757 36 A CB -0.517 18.433 19.000 -0.083 0.000 0.991 36 A HN 0.304 8.454 8.150 -0.000 0.000 0.503 37 P HA -0.073 4.347 4.420 -0.000 0.000 0.233 37 P C 1.148 178.420 177.300 -0.046 0.000 1.167 37 P CA 0.656 63.730 63.100 -0.042 0.000 0.770 37 P CB 0.172 31.855 31.700 -0.027 0.000 0.837 38 V N 0.242 120.126 119.914 -0.051 0.000 3.041 38 V HA -0.123 3.985 4.120 -0.020 0.000 0.260 38 V C 2.069 178.127 176.094 -0.061 0.000 1.105 38 V CA 2.001 64.271 62.300 -0.050 0.000 1.125 38 V CB -1.482 30.313 31.823 -0.046 0.000 0.730 38 V HN 0.128 8.318 8.190 -0.000 0.000 0.479 39 T N 1.754 116.266 114.554 -0.070 0.000 2.653 39 T HA -0.145 4.193 4.350 -0.020 0.000 0.268 39 T C -0.253 174.399 174.700 -0.079 0.000 1.035 39 T CA 2.276 64.331 62.100 -0.075 0.000 1.154 39 T CB -1.341 67.470 68.868 -0.094 0.000 0.862 39 T HN 0.533 8.773 8.240 -0.000 0.000 0.441 40 P HA 0.093 4.513 4.420 -0.000 0.000 0.229 40 P C 1.584 178.818 177.300 -0.109 0.000 1.160 40 P CA 0.848 63.874 63.100 -0.123 0.000 0.777 40 P CB -0.499 31.126 31.700 -0.125 0.000 0.814 41 G N -0.117 108.630 108.800 -0.088 0.000 2.464 41 G HA2 -0.112 3.836 3.960 -0.020 0.000 0.217 41 G HA3 -0.112 3.836 3.960 -0.020 0.000 0.217 41 G C 1.524 176.365 174.900 -0.098 0.000 1.138 41 G CA 0.227 45.274 45.100 -0.088 0.000 0.793 41 G HN 0.145 8.435 8.290 -0.000 0.000 0.539 42 V N 1.371 121.234 119.914 -0.084 0.000 2.427 42 V HA -0.071 4.038 4.120 -0.020 0.000 0.248 42 V C 3.243 179.286 176.094 -0.085 0.000 1.051 42 V CA 1.868 64.123 62.300 -0.076 0.000 1.048 42 V CB -0.529 31.260 31.823 -0.057 0.000 0.666 42 V HN 0.434 8.624 8.190 -0.000 0.000 0.456 43 A N -0.285 122.481 122.820 -0.090 0.000 1.898 43 A HA -0.129 4.179 4.320 -0.020 0.000 0.216 43 A C 2.372 179.886 177.584 -0.117 0.000 1.181 43 A CA 1.812 53.795 52.037 -0.091 0.000 0.620 43 A CB -0.609 18.327 19.000 -0.106 0.000 0.819 43 A HN 0.317 8.467 8.150 -0.000 0.000 0.442 44 V N 0.718 120.543 119.914 -0.147 0.000 2.407 44 V HA -0.224 3.884 4.120 -0.020 0.000 0.248 44 V C 2.394 178.254 176.094 -0.389 0.000 1.055 44 V CA 2.364 64.541 62.300 -0.205 0.000 1.049 44 V CB -0.646 31.075 31.823 -0.170 0.000 0.662 44 V HN 0.681 8.871 8.190 -0.000 0.000 0.455 45 D N 0.221 120.444 120.400 -0.295 0.000 2.097 45 D HA -0.139 4.490 4.640 -0.020 0.000 0.197 45 D C 2.028 178.208 176.300 -0.200 0.000 0.984 45 D CA 1.497 55.325 54.000 -0.287 0.000 0.826 45 D CB -0.183 40.526 40.800 -0.151 0.000 0.973 45 D HN 0.384 8.754 8.370 -0.000 0.000 0.460 46 L N 0.549 121.700 121.223 -0.120 0.000 2.141 46 L HA -0.104 4.224 4.340 -0.020 0.000 0.209 46 L C 2.491 179.347 176.870 -0.024 0.000 1.094 46 L CA 1.198 56.006 54.840 -0.054 0.000 0.763 46 L CB -0.495 41.543 42.059 -0.036 0.000 0.908 46 L HN 0.101 8.331 8.230 -0.000 0.000 0.437 47 S N -1.893 113.781 115.700 -0.042 0.000 2.507 47 S HA -0.181 4.277 4.470 -0.020 0.000 0.235 47 S C 1.537 176.235 174.600 0.162 0.000 0.988 47 S CA 0.704 58.925 58.200 0.036 0.000 0.944 47 S CB -0.713 62.507 63.200 0.032 0.000 0.762 47 S HN 0.567 8.877 8.310 -0.000 0.000 0.526 48 H N 0.028 119.090 119.070 -0.013 0.000 2.551 48 H HA 0.343 4.889 4.556 -0.016 0.000 0.266 48 H C 0.043 175.366 175.328 -0.008 0.000 0.977 48 H CA -0.225 55.816 56.048 -0.011 0.000 1.163 48 H CB 0.145 29.900 29.762 -0.011 0.000 1.381 48 H HN 0.415 8.695 8.280 -0.000 0.000 0.581 49 I N 4.474 125.107 120.570 0.105 0.000 2.452 49 I HA 0.027 4.185 4.170 -0.020 0.000 0.287 49 I C -1.697 174.443 176.117 0.039 0.000 1.079 49 I CA -1.773 59.560 61.300 0.055 0.000 1.387 49 I CB 0.939 38.959 38.000 0.032 0.000 1.404 49 I HN -0.062 8.148 8.210 -0.000 0.000 0.522 50 P HA 0.031 4.451 4.420 -0.000 0.000 0.238 50 P C -0.428 176.879 177.300 0.012 0.000 1.729 50 P CA -0.011 63.099 63.100 0.015 0.000 1.055 50 P CB -0.631 31.074 31.700 0.007 0.000 1.980 51 T N -2.243 112.319 114.554 0.014 0.000 2.916 51 T HA 0.645 4.983 4.350 -0.020 0.000 0.292 51 T C 0.196 174.903 174.700 0.010 0.000 1.055 51 T CA -1.045 61.061 62.100 0.010 0.000 1.009 51 T CB 1.819 70.693 68.868 0.009 0.000 1.118 51 T HN 0.077 8.317 8.240 -0.000 0.000 0.497 52 A N 1.651 124.476 122.820 0.008 0.000 3.091 52 A HA 0.595 4.904 4.320 -0.020 0.000 0.264 52 A C -0.196 177.394 177.584 0.009 0.000 1.673 52 A CA -0.515 51.527 52.037 0.008 0.000 1.362 52 A CB -0.941 18.063 19.000 0.006 0.000 1.137 52 A HN 0.745 8.895 8.150 -0.000 0.000 0.617 53 V N 1.934 121.856 119.914 0.012 0.000 2.488 53 V HA 0.184 4.293 4.120 -0.020 0.000 0.293 53 V C 0.075 176.179 176.094 0.017 0.000 1.027 53 V CA -0.790 61.519 62.300 0.014 0.000 0.862 53 V CB 1.769 33.599 31.823 0.012 0.000 1.008 53 V HN 0.732 8.922 8.190 -0.000 0.000 0.428 54 K N 4.058 124.470 120.400 0.020 0.000 2.401 54 K HA 0.527 4.835 4.320 -0.020 0.000 0.278 54 K C -0.700 175.916 176.600 0.027 0.000 1.018 54 K CA 0.070 56.371 56.287 0.024 0.000 0.981 54 K CB 0.972 33.489 32.500 0.029 0.000 0.933 54 K HN 0.609 8.859 8.250 -0.000 0.000 0.477 55 I N 2.763 123.345 120.570 0.020 0.000 2.656 55 I HA 0.333 4.491 4.170 -0.020 0.000 0.292 55 I C -1.569 174.543 176.117 -0.008 0.000 1.144 55 I CA -0.654 60.656 61.300 0.016 0.000 1.038 55 I CB 1.462 39.465 38.000 0.005 0.000 1.244 55 I HN 0.584 8.794 8.210 -0.000 0.000 0.420 56 K N 4.872 125.266 120.400 -0.010 0.000 2.512 56 K HA 0.772 5.081 4.320 -0.020 0.000 0.263 56 K C -0.941 175.543 176.600 -0.194 0.000 0.966 56 K CA -0.964 55.242 56.287 -0.134 0.000 0.851 56 K CB 2.352 34.784 32.500 -0.112 0.000 1.395 56 K HN 0.670 8.920 8.250 -0.000 0.000 0.440 57 G N 1.220 109.750 108.800 -0.450 0.000 2.591 57 G HA2 0.754 4.702 3.960 -0.020 0.000 0.306 57 G HA3 0.754 4.702 3.960 -0.020 0.000 0.306 57 G C -1.519 173.016 174.900 -0.610 0.000 1.334 57 G CA -0.498 44.407 45.100 -0.325 0.000 0.981 57 G HN 0.305 8.595 8.290 -0.000 0.000 0.491 58 F N 0.346 120.339 119.950 0.071 0.000 2.576 58 F HA 0.781 5.293 4.527 -0.024 0.000 0.313 58 F C 0.507 176.346 175.800 0.066 0.000 1.078 58 F CA -0.852 57.211 58.000 0.104 0.000 0.921 58 F CB 2.612 41.726 39.000 0.190 0.000 1.232 58 F HN 0.521 8.821 8.300 -0.000 0.000 0.459 59 S N 0.057 115.899 115.700 0.237 0.000 2.801 59 S HA 0.927 5.385 4.470 -0.020 0.000 0.312 59 S C -0.137 174.581 174.600 0.196 0.000 1.112 59 S CA 0.150 58.396 58.200 0.075 0.000 0.943 59 S CB 1.510 64.718 63.200 0.014 0.000 1.269 59 S HN 1.575 9.885 8.310 -0.000 0.000 0.558 60 G N 1.235 110.109 108.800 0.124 0.000 2.549 60 G HA2 -0.088 3.860 3.960 -0.020 0.000 0.404 60 G HA3 -0.088 3.860 3.960 -0.020 0.000 0.404 60 G C -0.522 174.513 174.900 0.225 0.000 1.292 60 G CA 0.256 45.452 45.100 0.161 0.000 0.935 60 G HN 0.595 8.885 8.290 -0.000 0.000 0.512 61 E N -0.231 120.068 120.200 0.166 0.000 2.400 61 E HA 0.235 4.573 4.350 -0.020 0.000 0.195 61 E C 0.578 177.245 176.600 0.111 0.000 1.012 61 E CA 0.791 57.280 56.400 0.148 0.000 0.875 61 E CB 0.382 30.129 29.700 0.077 0.000 0.859 61 E HN 0.506 8.866 8.360 -0.000 0.000 0.498 62 D N -0.223 120.223 120.400 0.077 0.000 2.373 62 D HA 0.351 4.980 4.640 -0.020 0.000 0.227 62 D C 0.292 176.466 176.300 -0.210 0.000 1.091 62 D CA -0.298 53.669 54.000 -0.054 0.000 0.840 62 D CB 1.194 41.971 40.800 -0.039 0.000 1.060 62 D HN -0.001 8.369 8.370 -0.000 0.000 0.502 63 A N 3.006 125.507 122.820 -0.530 0.000 2.238 63 A HA 0.011 4.319 4.320 -0.020 0.000 0.208 63 A C 1.967 179.245 177.584 -0.510 0.000 1.177 63 A CA 0.512 51.983 52.037 -0.943 0.000 0.804 63 A CB -0.367 17.857 19.000 -1.292 0.000 0.823 63 A HN 0.626 8.776 8.150 -0.000 0.000 0.482 64 T N 1.713 116.067 114.554 -0.333 0.000 2.649 64 T HA -0.149 4.189 4.350 -0.020 0.000 0.268 64 T C -0.252 174.267 174.700 -0.302 0.000 1.036 64 T CA 2.290 64.239 62.100 -0.251 0.000 1.157 64 T CB -1.182 67.586 68.868 -0.167 0.000 0.861 64 T HN 0.445 8.685 8.240 -0.000 0.000 0.445 65 P HA 0.051 4.471 4.420 -0.000 0.000 0.219 65 P C 1.196 178.052 177.300 -0.740 0.000 1.146 65 P CA 1.078 63.818 63.100 -0.600 0.000 0.808 65 P CB -0.139 31.046 31.700 -0.859 0.000 0.779 66 A N -1.182 121.223 122.820 -0.692 0.000 2.021 66 A HA 0.032 4.340 4.320 -0.020 0.000 0.216 66 A C 1.964 179.460 177.584 -0.147 0.000 1.163 66 A CA 0.791 52.626 52.037 -0.338 0.000 0.676 66 A CB -1.166 17.777 19.000 -0.096 0.000 0.818 66 A HN 0.130 8.280 8.150 -0.000 0.000 0.453 67 L N -0.160 120.955 121.223 -0.180 0.000 2.446 67 L HA 0.070 4.398 4.340 -0.020 0.000 0.219 67 L C 0.211 177.036 176.870 -0.074 0.000 1.116 67 L CA -0.083 54.696 54.840 -0.103 0.000 0.844 67 L CB -0.231 41.759 42.059 -0.116 0.000 0.970 67 L HN 0.310 8.540 8.230 -0.000 0.000 0.457 68 E N 1.324 121.466 120.200 -0.096 0.000 2.498 68 E HA 0.059 4.397 4.350 -0.020 0.000 0.252 68 E C 1.068 177.652 176.600 -0.028 0.000 1.025 68 E CA 0.705 57.069 56.400 -0.060 0.000 0.938 68 E CB 0.266 29.925 29.700 -0.068 0.000 0.947 68 E HN 0.387 8.747 8.360 -0.000 0.000 0.478 69 G N 2.717 111.509 108.800 -0.015 0.000 2.179 69 G HA2 -0.349 3.599 3.960 -0.020 0.000 0.260 69 G HA3 -0.349 3.599 3.960 -0.020 0.000 0.260 69 G C 0.448 175.352 174.900 0.007 0.000 0.977 69 G CA -0.005 45.095 45.100 -0.000 0.000 0.641 69 G HN 0.795 9.085 8.290 -0.000 0.000 0.533 70 A N 0.398 123.221 122.820 0.005 0.000 2.524 70 A HA 0.496 4.804 4.320 -0.020 0.000 0.250 70 A C 1.197 178.794 177.584 0.022 0.000 1.078 70 A CA 0.919 52.965 52.037 0.016 0.000 0.761 70 A CB 0.235 19.244 19.000 0.015 0.000 1.012 70 A HN 0.294 8.444 8.150 -0.000 0.000 0.500 71 D N 1.282 121.696 120.400 0.023 0.000 2.271 71 D HA 0.086 4.714 4.640 -0.020 0.000 0.206 71 D C 0.070 176.391 176.300 0.035 0.000 0.967 71 D CA 1.119 55.135 54.000 0.025 0.000 0.867 71 D CB 0.376 41.186 40.800 0.016 0.000 0.960 71 D HN 0.282 8.652 8.370 -0.000 0.000 0.509 72 V N 1.116 121.049 119.914 0.033 0.000 2.789 72 V HA 0.347 4.455 4.120 -0.020 0.000 0.311 72 V C -0.451 175.677 176.094 0.056 0.000 1.073 72 V CA -0.772 61.554 62.300 0.044 0.000 0.921 72 V CB 3.071 34.900 31.823 0.010 0.000 1.009 72 V HN -0.255 7.935 8.190 -0.000 0.000 0.426 73 V N 5.693 125.656 119.914 0.081 0.000 2.525 73 V HA 0.524 4.633 4.120 -0.020 0.000 0.299 73 V C -0.661 175.492 176.094 0.099 0.000 1.034 73 V CA -0.451 61.896 62.300 0.079 0.000 0.863 73 V CB 1.813 33.679 31.823 0.072 0.000 0.999 73 V HN 0.640 8.830 8.190 -0.000 0.000 0.423 74 L N 5.927 127.203 121.223 0.089 0.000 2.305 74 L HA 0.612 4.940 4.340 -0.020 0.000 0.284 74 L C -0.596 176.320 176.870 0.076 0.000 1.013 74 L CA -0.396 54.498 54.840 0.091 0.000 0.819 74 L CB 1.790 43.901 42.059 0.087 0.000 1.227 74 L HN 0.488 8.718 8.230 -0.000 0.000 0.417 75 I N 2.824 123.434 120.570 0.067 0.000 2.306 75 I HA 0.156 4.314 4.170 -0.020 0.000 0.288 75 I C 0.647 176.782 176.117 0.031 0.000 1.036 75 I CA 0.073 61.406 61.300 0.056 0.000 1.221 75 I CB 1.404 39.436 38.000 0.053 0.000 1.385 75 I HN 0.681 8.891 8.210 -0.000 0.000 0.472 76 S N 3.577 119.296 115.700 0.031 0.000 2.749 76 S HA 0.415 4.873 4.470 -0.020 0.000 0.246 76 S C 0.550 175.156 174.600 0.010 0.000 1.023 76 S CA -0.582 57.625 58.200 0.010 0.000 1.012 76 S CB 0.458 63.662 63.200 0.005 0.000 0.942 76 S HN 0.590 8.900 8.310 -0.000 0.000 0.531 77 A N 0.919 123.753 122.820 0.023 0.000 2.445 77 A HA 0.756 5.064 4.320 -0.020 0.000 0.242 77 A C 0.973 178.558 177.584 0.002 0.000 1.075 77 A CA 0.399 52.447 52.037 0.019 0.000 0.777 77 A CB -0.368 18.661 19.000 0.048 0.000 1.013 77 A HN 1.620 9.770 8.150 -0.000 0.000 0.493 78 G N -0.907 107.888 108.800 -0.007 0.000 2.369 78 G HA2 0.404 4.353 3.960 -0.020 0.000 0.295 78 G HA3 0.404 4.353 3.960 -0.020 0.000 0.295 78 G C -1.331 173.557 174.900 -0.019 0.000 1.298 78 G CA -0.247 44.843 45.100 -0.017 0.000 0.940 78 G HN 1.336 9.626 8.290 -0.000 0.000 0.536 79 V N 0.772 120.672 119.914 -0.023 0.000 2.435 79 V HA 0.754 4.862 4.120 -0.020 0.000 0.290 79 V C 0.945 177.030 176.094 -0.015 0.000 1.030 79 V CA 0.164 62.452 62.300 -0.020 0.000 0.881 79 V CB 1.098 32.906 31.823 -0.024 0.000 0.983 79 V HN 1.751 9.941 8.190 -0.000 0.000 0.445 80 A N 5.558 128.371 122.820 -0.012 0.000 2.279 80 A HA 0.757 5.065 4.320 -0.020 0.000 0.303 80 A C 0.330 177.910 177.584 -0.006 0.000 1.108 80 A CA -0.715 51.318 52.037 -0.007 0.000 0.830 80 A CB 0.611 19.608 19.000 -0.005 0.000 1.106 80 A HN 0.959 9.109 8.150 -0.000 0.000 0.493 81 R N 0.497 120.995 120.500 -0.003 0.000 2.649 81 R HA 0.530 4.858 4.340 -0.020 0.000 0.270 81 R C -0.825 175.473 176.300 -0.004 0.000 1.105 81 R CA -0.298 55.799 56.100 -0.004 0.000 1.193 81 R CB 0.446 30.744 30.300 -0.005 0.000 1.120 81 R HN 0.597 8.867 8.270 -0.000 0.000 0.561 82 K N 0.343 120.740 120.400 -0.004 0.000 2.350 82 K HA 0.444 4.752 4.320 -0.020 0.000 0.241 82 K C -2.516 174.082 176.600 -0.004 0.000 0.994 82 K CA -2.348 53.937 56.287 -0.004 0.000 0.839 82 K CB 1.827 34.324 32.500 -0.004 0.000 1.244 82 K HN 0.516 8.766 8.250 -0.000 0.000 0.443 83 P HA -0.106 4.314 4.420 -0.000 0.000 0.264 83 P C 0.508 177.805 177.300 -0.004 0.000 1.183 83 P CA 1.014 64.111 63.100 -0.004 0.000 0.763 83 P CB 0.538 32.236 31.700 -0.003 0.000 0.807 84 G N 1.936 110.733 108.800 -0.006 0.000 2.308 84 G HA2 -0.216 3.732 3.960 -0.020 0.000 0.221 84 G HA3 -0.216 3.732 3.960 -0.020 0.000 0.221 84 G C 0.167 175.064 174.900 -0.006 0.000 1.032 84 G CA -0.071 45.026 45.100 -0.005 0.000 0.623 84 G HN 0.487 8.777 8.290 -0.000 0.000 0.506 85 M N 1.481 121.078 119.600 -0.006 0.000 2.247 85 M HA 0.505 4.973 4.480 -0.020 0.000 0.326 85 M C -0.495 175.798 176.300 -0.011 0.000 1.134 85 M CA -0.308 54.989 55.300 -0.005 0.000 1.136 85 M CB 0.653 33.251 32.600 -0.003 0.000 1.454 85 M HN 0.071 8.361 8.290 -0.000 0.000 0.467 86 D N 0.257 120.651 120.400 -0.011 0.000 2.272 86 D HA 0.296 4.924 4.640 -0.020 0.000 0.247 86 D C 0.686 176.974 176.300 -0.020 0.000 0.990 86 D CA -0.465 53.523 54.000 -0.021 0.000 0.931 86 D CB 1.227 42.014 40.800 -0.022 0.000 1.195 86 D HN 0.470 8.840 8.370 -0.000 0.000 0.477 87 R N 0.167 120.644 120.500 -0.038 0.000 2.139 87 R HA -0.139 4.189 4.340 -0.020 0.000 0.243 87 R C 1.958 178.250 176.300 -0.013 0.000 1.145 87 R CA 1.668 57.747 56.100 -0.035 0.000 0.976 87 R CB -0.103 30.152 30.300 -0.075 0.000 0.866 87 R HN 0.461 8.731 8.270 -0.000 0.000 0.449 88 S N 0.727 116.417 115.700 -0.017 0.000 2.402 88 S HA -0.096 4.362 4.470 -0.020 0.000 0.229 88 S C 1.062 175.694 174.600 0.054 0.000 1.021 88 S CA 1.056 59.259 58.200 0.005 0.000 0.974 88 S CB -0.079 63.108 63.200 -0.021 0.000 0.800 88 S HN 0.211 8.521 8.310 -0.000 0.000 0.484 89 D N 0.997 121.418 120.400 0.034 0.000 2.390 89 D HA 0.081 4.709 4.640 -0.020 0.000 0.235 89 D C 0.924 177.250 176.300 0.043 0.000 1.040 89 D CA 0.288 54.314 54.000 0.043 0.000 0.923 89 D CB -0.066 40.746 40.800 0.020 0.000 0.886 89 D HN 0.304 8.674 8.370 -0.000 0.000 0.532 90 L N -0.628 120.625 121.223 0.050 0.000 2.616 90 L HA 0.134 4.462 4.340 -0.020 0.000 0.229 90 L C 1.430 178.321 176.870 0.034 0.000 1.110 90 L CA 0.027 54.882 54.840 0.025 0.000 0.884 90 L CB -0.279 41.787 42.059 0.012 0.000 1.115 90 L HN -0.112 8.118 8.230 -0.000 0.000 0.481 91 F N 1.039 120.947 119.950 -0.070 0.000 2.091 91 F HA -0.307 4.210 4.527 -0.017 0.000 0.299 91 F C 2.109 177.832 175.800 -0.129 0.000 1.103 91 F CA 1.874 59.811 58.000 -0.105 0.000 1.228 91 F CB -0.357 38.597 39.000 -0.077 0.000 0.984 91 F HN 0.205 8.505 8.300 -0.000 0.000 0.477 92 N N 0.165 118.655 118.700 -0.349 0.000 2.104 92 N HA -0.163 4.565 4.740 -0.020 0.000 0.190 92 N C 2.010 177.322 175.510 -0.329 0.000 1.024 92 N CA 2.240 55.035 53.050 -0.425 0.000 0.853 92 N CB -0.564 37.830 38.487 -0.155 0.000 1.008 92 N HN 0.416 8.796 8.380 -0.000 0.000 0.424 93 V N -2.183 117.610 119.914 -0.202 0.000 2.649 93 V HA 0.131 4.239 4.120 -0.020 0.000 0.248 93 V C 1.203 177.200 176.094 -0.162 0.000 1.054 93 V CA 1.315 63.529 62.300 -0.143 0.000 1.073 93 V CB -0.250 31.525 31.823 -0.080 0.000 0.699 93 V HN 0.165 8.355 8.190 -0.000 0.000 0.463 94 N N 0.995 119.581 118.700 -0.190 0.000 2.356 94 N HA 0.286 5.014 4.740 -0.020 0.000 0.178 94 N C 1.857 177.218 175.510 -0.248 0.000 1.075 94 N CA 1.162 54.117 53.050 -0.160 0.000 0.889 94 N CB 0.402 38.835 38.487 -0.089 0.000 0.999 94 N HN 0.582 8.962 8.380 -0.000 0.000 0.464 95 A N 0.982 123.512 122.820 -0.484 0.000 1.883 95 A HA -0.051 4.257 4.320 -0.020 0.000 0.217 95 A C 2.311 179.535 177.584 -0.600 0.000 1.186 95 A CA 2.049 53.608 52.037 -0.796 0.000 0.624 95 A CB -1.183 16.729 19.000 -1.813 0.000 0.822 95 A HN 0.315 8.465 8.150 -0.000 0.000 0.444 96 G N -0.371 108.205 108.800 -0.372 0.000 2.408 96 G HA2 -0.111 3.837 3.960 -0.020 0.000 0.217 96 G HA3 -0.111 3.837 3.960 -0.020 0.000 0.217 96 G C 1.520 176.411 174.900 -0.016 0.000 1.150 96 G CA 0.977 46.059 45.100 -0.031 0.000 0.776 96 G HN 0.478 8.768 8.290 -0.000 0.000 0.542 97 I N 0.358 120.894 120.570 -0.057 0.000 2.226 97 I HA -0.157 4.002 4.170 -0.020 0.000 0.245 97 I C 2.755 178.868 176.117 -0.007 0.000 1.100 97 I CA 0.521 61.811 61.300 -0.017 0.000 1.374 97 I CB -0.291 37.695 38.000 -0.024 0.000 1.057 97 I HN 0.020 8.230 8.210 -0.000 0.000 0.413 98 V N 1.141 121.032 119.914 -0.040 0.000 2.295 98 V HA -0.323 3.785 4.120 -0.020 0.000 0.246 98 V C 2.583 178.682 176.094 0.009 0.000 1.049 98 V CA 2.022 64.311 62.300 -0.019 0.000 1.024 98 V CB -0.697 31.098 31.823 -0.047 0.000 0.648 98 V HN 0.429 8.619 8.190 -0.000 0.000 0.447 99 K N 0.341 120.755 120.400 0.024 0.000 2.044 99 K HA -0.293 4.015 4.320 -0.020 0.000 0.210 99 K C 2.164 178.801 176.600 0.061 0.000 1.049 99 K CA 2.126 58.462 56.287 0.083 0.000 0.927 99 K CB -0.395 32.227 32.500 0.203 0.000 0.713 99 K HN 0.484 8.734 8.250 -0.000 0.000 0.443 100 N N 1.016 119.748 118.700 0.053 0.000 2.120 100 N HA -0.155 4.574 4.740 -0.020 0.000 0.188 100 N C 1.953 177.477 175.510 0.023 0.000 1.024 100 N CA 1.232 54.306 53.050 0.039 0.000 0.852 100 N CB -0.085 38.427 38.487 0.040 0.000 1.003 100 N HN 0.245 8.625 8.380 -0.000 0.000 0.424 101 L N 0.260 121.499 121.223 0.026 0.000 2.072 101 L HA -0.060 4.268 4.340 -0.020 0.000 0.205 101 L C 2.427 179.302 176.870 0.009 0.000 1.079 101 L CA 0.515 55.363 54.840 0.015 0.000 0.752 101 L CB -0.308 41.774 42.059 0.039 0.000 0.906 101 L HN -0.050 8.180 8.230 -0.000 0.000 0.436 102 V N -0.461 119.466 119.914 0.022 0.000 2.594 102 V HA -0.285 3.823 4.120 -0.020 0.000 0.253 102 V C 2.433 178.538 176.094 0.019 0.000 1.069 102 V CA 1.466 63.781 62.300 0.025 0.000 1.082 102 V CB -0.514 31.328 31.823 0.030 0.000 0.680 102 V HN 0.486 8.676 8.190 -0.000 0.000 0.469 103 Q N -0.482 119.328 119.800 0.016 0.000 2.061 103 Q HA -0.271 4.057 4.340 -0.020 0.000 0.204 103 Q C 2.441 178.438 176.000 -0.005 0.000 0.984 103 Q CA 1.908 57.718 55.803 0.011 0.000 0.846 103 Q CB -0.171 28.575 28.738 0.013 0.000 0.902 103 Q HN 0.684 8.954 8.270 -0.000 0.000 0.421 104 Q N -0.410 119.377 119.800 -0.023 0.000 2.124 104 Q HA -0.131 4.197 4.340 -0.020 0.000 0.202 104 Q C 2.195 178.168 176.000 -0.046 0.000 0.977 104 Q CA 1.225 56.997 55.803 -0.051 0.000 0.850 104 Q CB 0.065 28.745 28.738 -0.098 0.000 0.901 104 Q HN 0.225 8.495 8.270 -0.000 0.000 0.429 105 V N 0.937 120.836 119.914 -0.026 0.000 2.295 105 V HA -0.268 3.840 4.120 -0.020 0.000 0.246 105 V C 2.287 178.384 176.094 0.006 0.000 1.049 105 V CA 1.813 64.108 62.300 -0.009 0.000 1.024 105 V CB -0.916 30.917 31.823 0.018 0.000 0.648 105 V HN 0.385 8.575 8.190 -0.000 0.000 0.447 106 A N -0.371 122.459 122.820 0.017 0.000 1.978 106 A HA -0.208 4.100 4.320 -0.020 0.000 0.220 106 A C 2.224 179.815 177.584 0.012 0.000 1.170 106 A CA 1.638 53.690 52.037 0.026 0.000 0.636 106 A CB -0.312 18.707 19.000 0.031 0.000 0.810 106 A HN 0.479 8.629 8.150 -0.000 0.000 0.448 107 K N -1.083 119.315 120.400 -0.003 0.000 2.243 107 K HA 0.023 4.331 4.320 -0.020 0.000 0.201 107 K C 1.532 178.122 176.600 -0.017 0.000 1.051 107 K CA 1.551 57.831 56.287 -0.010 0.000 0.970 107 K CB -0.264 32.225 32.500 -0.019 0.000 0.755 107 K HN 0.514 8.764 8.250 -0.000 0.000 0.465 108 T N 0.162 114.700 114.554 -0.025 0.000 3.071 108 T HA -0.001 4.338 4.350 -0.020 0.000 0.239 108 T C 1.335 176.024 174.700 -0.020 0.000 0.997 108 T CA 0.528 62.609 62.100 -0.032 0.000 1.134 108 T CB 0.086 68.919 68.868 -0.059 0.000 0.928 108 T HN 0.376 8.616 8.240 -0.000 0.000 0.453 109 C N 2.146 121.440 119.300 -0.010 0.000 3.290 109 C HA 0.483 4.931 4.460 -0.020 0.000 0.206 109 C C -1.317 173.686 174.990 0.021 0.000 1.639 109 C CA -2.020 57.000 59.018 0.004 0.000 1.408 109 C CB -0.007 27.734 27.740 0.002 0.000 2.197 109 C HN 0.241 8.471 8.230 -0.000 0.000 0.508 110 P HA -0.173 4.247 4.420 -0.000 0.000 0.220 110 P C 1.130 178.455 177.300 0.042 0.000 1.144 110 P CA 1.635 64.757 63.100 0.037 0.000 0.800 110 P CB 0.238 31.956 31.700 0.030 0.000 0.772 111 K N -0.625 119.795 120.400 0.033 0.000 2.400 111 K HA 0.222 4.530 4.320 -0.020 0.000 0.194 111 K C 1.221 177.850 176.600 0.047 0.000 1.033 111 K CA -0.114 56.193 56.287 0.034 0.000 1.021 111 K CB 0.031 32.545 32.500 0.023 0.000 0.808 111 K HN 0.087 8.337 8.250 -0.000 0.000 0.505 112 A N 0.959 123.811 122.820 0.054 0.000 2.466 112 A HA 0.066 4.374 4.320 -0.020 0.000 0.238 112 A C 0.032 177.683 177.584 0.112 0.000 1.074 112 A CA -0.281 51.799 52.037 0.070 0.000 0.774 112 A CB 0.196 19.233 19.000 0.062 0.000 1.015 112 A HN 0.300 8.450 8.150 -0.000 0.000 0.498 113 C N 1.476 120.858 119.300 0.137 0.000 2.452 113 C HA 0.524 4.972 4.460 -0.020 0.000 0.379 113 C C 0.273 175.412 174.990 0.248 0.000 1.275 113 C CA -0.062 59.101 59.018 0.243 0.000 2.056 113 C CB -1.153 26.737 27.740 0.249 0.000 2.506 113 C HN 0.583 8.813 8.230 -0.000 0.000 0.560 114 I N 2.998 123.772 120.570 0.341 0.000 2.406 114 I HA 0.482 4.640 4.170 -0.020 0.000 0.290 114 I C 0.614 176.963 176.117 0.388 0.000 0.999 114 I CA 0.034 61.506 61.300 0.286 0.000 1.124 114 I CB 1.373 39.498 38.000 0.208 0.000 1.289 114 I HN 0.772 8.982 8.210 -0.000 0.000 0.441 115 G N 7.293 116.260 108.800 0.278 0.000 2.384 115 G HA2 0.595 4.543 3.960 -0.020 0.000 0.316 115 G HA3 0.595 4.543 3.960 -0.020 0.000 0.316 115 G C -0.486 174.482 174.900 0.112 0.000 1.160 115 G CA -0.367 44.877 45.100 0.240 0.000 0.936 115 G HN 0.343 8.633 8.290 -0.000 0.000 0.455 116 I N 3.571 124.184 120.570 0.072 0.000 2.315 116 I HA 0.294 4.452 4.170 -0.020 0.000 0.291 116 I C 0.698 176.783 176.117 -0.053 0.000 1.006 116 I CA -0.357 60.954 61.300 0.018 0.000 1.265 116 I CB 1.491 39.503 38.000 0.019 0.000 1.387 116 I HN 0.465 8.675 8.210 -0.000 0.000 0.475 117 I N 3.184 123.724 120.570 -0.050 0.000 3.445 117 I HA -0.016 4.143 4.170 -0.020 0.000 0.288 117 I C 0.877 176.953 176.117 -0.069 0.000 1.198 117 I CA 0.456 61.703 61.300 -0.088 0.000 1.417 117 I CB 0.183 38.144 38.000 -0.065 0.000 1.205 117 I HN 0.498 8.708 8.210 -0.000 0.000 0.448 118 T N 3.489 118.021 114.554 -0.037 0.000 2.849 118 T HA -0.047 4.292 4.350 -0.020 0.000 0.289 118 T C 0.257 174.940 174.700 -0.028 0.000 1.010 118 T CA 0.264 62.348 62.100 -0.027 0.000 1.161 118 T CB -0.247 68.609 68.868 -0.021 0.000 0.989 118 T HN 0.127 8.367 8.240 -0.000 0.000 0.523 119 N N 4.126 122.818 118.700 -0.013 0.000 2.483 119 N HA 0.282 5.010 4.740 -0.020 0.000 0.269 119 N C -2.409 173.102 175.510 0.002 0.000 1.209 119 N CA -1.782 51.268 53.050 -0.000 0.000 0.969 119 N CB 0.799 39.297 38.487 0.020 0.000 1.173 119 N HN 0.347 8.727 8.380 -0.000 0.000 0.475 120 P HA 0.100 4.520 4.420 -0.000 0.000 0.291 120 P C 0.916 178.185 177.300 -0.052 0.000 1.340 120 P CA -0.242 62.849 63.100 -0.016 0.000 0.799 120 P CB 0.885 32.572 31.700 -0.022 0.000 0.917 121 V N 3.647 123.520 119.914 -0.069 0.000 2.277 121 V HA -0.346 3.762 4.120 -0.020 0.000 0.253 121 V C 2.211 178.152 176.094 -0.255 0.000 1.067 121 V CA 2.266 64.476 62.300 -0.149 0.000 1.047 121 V CB -1.314 30.394 31.823 -0.191 0.000 0.649 121 V HN 0.496 8.686 8.190 -0.000 0.000 0.447 122 N N -0.109 118.397 118.700 -0.323 0.000 2.094 122 N HA -0.153 4.575 4.740 -0.020 0.000 0.191 122 N C 1.857 177.341 175.510 -0.043 0.000 1.023 122 N CA 2.143 55.015 53.050 -0.297 0.000 0.857 122 N CB -0.595 37.790 38.487 -0.169 0.000 1.013 122 N HN 0.565 8.945 8.380 -0.000 0.000 0.426 123 T N -0.593 113.912 114.554 -0.082 0.000 2.901 123 T HA -0.045 4.294 4.350 -0.020 0.000 0.252 123 T C 2.036 176.701 174.700 -0.057 0.000 1.035 123 T CA 1.578 63.630 62.100 -0.080 0.000 1.142 123 T CB -0.619 68.159 68.868 -0.150 0.000 0.869 123 T HN 0.496 8.736 8.240 -0.000 0.000 0.442 124 T N 1.118 115.648 114.554 -0.040 0.000 2.849 124 T HA -0.077 4.261 4.350 -0.020 0.000 0.270 124 T C 1.963 176.618 174.700 -0.075 0.000 1.066 124 T CA 0.818 62.894 62.100 -0.039 0.000 1.130 124 T CB -0.901 67.946 68.868 -0.034 0.000 0.864 124 T HN 0.162 8.402 8.240 -0.000 0.000 0.481 125 V N 1.655 121.502 119.914 -0.112 0.000 2.453 125 V HA 0.042 4.150 4.120 -0.020 0.000 0.247 125 V C 3.199 179.030 176.094 -0.439 0.000 1.048 125 V CA 1.308 63.488 62.300 -0.200 0.000 1.049 125 V CB -1.280 30.476 31.823 -0.112 0.000 0.672 125 V HN 0.685 8.875 8.190 -0.000 0.000 0.457 126 A N 0.149 122.673 122.820 -0.493 0.000 1.898 126 A HA -0.154 4.154 4.320 -0.020 0.000 0.216 126 A C 2.169 179.687 177.584 -0.111 0.000 1.181 126 A CA 1.730 53.533 52.037 -0.390 0.000 0.620 126 A CB -0.489 18.433 19.000 -0.130 0.000 0.819 126 A HN 0.474 8.624 8.150 -0.000 0.000 0.442 127 I N -0.115 120.428 120.570 -0.045 0.000 2.091 127 I HA -0.362 3.796 4.170 -0.020 0.000 0.239 127 I C 3.043 179.157 176.117 -0.004 0.000 1.061 127 I CA 1.358 62.682 61.300 0.041 0.000 1.317 127 I CB -0.582 37.450 38.000 0.052 0.000 1.031 127 I HN 0.377 8.587 8.210 -0.000 0.000 0.401 128 A N 0.803 123.597 122.820 -0.043 0.000 1.892 128 A HA -0.278 4.030 4.320 -0.020 0.000 0.218 128 A C 2.545 180.065 177.584 -0.107 0.000 1.188 128 A CA 2.410 54.423 52.037 -0.040 0.000 0.631 128 A CB -1.032 17.957 19.000 -0.019 0.000 0.822 128 A HN 0.506 8.656 8.150 -0.000 0.000 0.447 129 A N -0.640 122.064 122.820 -0.194 0.000 1.883 129 A HA -0.184 4.124 4.320 -0.020 0.000 0.217 129 A C 1.956 179.280 177.584 -0.433 0.000 1.186 129 A CA 1.864 53.604 52.037 -0.495 0.000 0.624 129 A CB -0.496 18.351 19.000 -0.256 0.000 0.822 129 A HN 0.481 8.631 8.150 -0.000 0.000 0.444 130 E N -0.084 120.015 120.200 -0.168 0.000 2.051 130 E HA -0.127 4.212 4.350 -0.020 0.000 0.192 130 E C 2.264 178.829 176.600 -0.058 0.000 0.991 130 E CA 1.334 57.685 56.400 -0.081 0.000 0.799 130 E CB -0.878 28.828 29.700 0.009 0.000 0.748 130 E HN 0.388 8.748 8.360 -0.000 0.000 0.449 131 V N 1.683 121.578 119.914 -0.032 0.000 2.255 131 V HA -0.269 3.839 4.120 -0.020 0.000 0.247 131 V C 2.623 178.712 176.094 -0.008 0.000 1.051 131 V CA 1.686 63.985 62.300 -0.001 0.000 1.018 131 V CB -0.661 31.174 31.823 0.020 0.000 0.641 131 V HN 0.188 8.378 8.190 -0.000 0.000 0.445 132 L N -0.746 120.459 121.223 -0.029 0.000 2.079 132 L HA -0.218 4.110 4.340 -0.020 0.000 0.210 132 L C 2.608 179.513 176.870 0.059 0.000 1.081 132 L CA 1.666 56.526 54.840 0.034 0.000 0.752 132 L CB -0.594 41.527 42.059 0.103 0.000 0.896 132 L HN 0.297 8.527 8.230 -0.000 0.000 0.433 133 K N 0.735 121.118 120.400 -0.029 0.000 1.985 133 K HA -0.204 4.104 4.320 -0.020 0.000 0.210 133 K C 1.996 178.622 176.600 0.043 0.000 1.047 133 K CA 1.838 58.147 56.287 0.037 0.000 0.932 133 K CB -0.085 32.400 32.500 -0.025 0.000 0.716 133 K HN 0.355 8.605 8.250 -0.000 0.000 0.439 134 K N -0.147 120.264 120.400 0.018 0.000 2.555 134 K HA 0.051 4.359 4.320 -0.020 0.000 0.193 134 K C 1.337 177.952 176.600 0.025 0.000 1.032 134 K CA 1.033 57.333 56.287 0.021 0.000 1.004 134 K CB 0.270 32.777 32.500 0.012 0.000 0.804 134 K HN -0.005 8.245 8.250 -0.000 0.000 0.496 135 A N 1.349 124.189 122.820 0.034 0.000 2.275 135 A HA 0.324 4.633 4.320 -0.020 0.000 0.212 135 A C 1.471 179.080 177.584 0.042 0.000 1.201 135 A CA 0.237 52.295 52.037 0.034 0.000 0.843 135 A CB -0.390 18.631 19.000 0.036 0.000 0.873 135 A HN 0.506 8.656 8.150 -0.000 0.000 0.492 136 G N -1.541 107.292 108.800 0.054 0.000 2.225 136 G HA2 -0.202 3.746 3.960 -0.020 0.000 0.267 136 G HA3 -0.202 3.746 3.960 -0.020 0.000 0.267 136 G C 0.574 175.513 174.900 0.066 0.000 1.024 136 G CA 0.548 45.683 45.100 0.057 0.000 0.784 136 G HN 1.125 9.415 8.290 -0.000 0.000 0.507 137 V N -0.363 119.606 119.914 0.092 0.000 3.252 137 V HA 0.404 4.513 4.120 -0.020 0.000 0.320 137 V C 0.572 176.750 176.094 0.141 0.000 1.459 137 V CA -0.487 61.867 62.300 0.089 0.000 1.095 137 V CB -0.266 31.597 31.823 0.066 0.000 0.997 137 V HN 0.505 8.695 8.190 -0.000 0.000 0.469 138 Y N 2.196 122.508 120.300 0.021 0.000 2.526 138 Y HA 0.369 4.907 4.550 -0.020 0.000 0.330 138 Y C -0.012 175.896 175.900 0.013 0.000 1.156 138 Y CA -0.236 57.878 58.100 0.024 0.000 1.419 138 Y CB 0.675 39.155 38.460 0.034 0.000 1.250 138 Y HN 0.304 8.584 8.280 -0.000 0.000 0.540 139 D N 5.678 125.832 120.400 -0.411 0.000 2.421 139 D HA 0.136 4.764 4.640 -0.020 0.000 0.254 139 D C 0.248 176.117 176.300 -0.718 0.000 1.238 139 D CA -0.605 53.120 54.000 -0.459 0.000 0.919 139 D CB 0.887 41.585 40.800 -0.171 0.000 1.152 139 D HN 0.732 9.102 8.370 -0.000 0.000 0.552 140 K N 1.976 121.793 120.400 -0.973 0.000 2.520 140 K HA -0.053 4.255 4.320 -0.020 0.000 0.197 140 K C 0.644 177.053 176.600 -0.318 0.000 1.043 140 K CA 0.794 56.705 56.287 -0.627 0.000 0.944 140 K CB 0.128 32.392 32.500 -0.394 0.000 0.770 140 K HN 0.054 8.304 8.250 -0.000 0.000 0.480 141 N N 0.908 119.437 118.700 -0.284 0.000 2.336 141 N HA 0.032 4.760 4.740 -0.020 0.000 0.189 141 N C 0.133 175.485 175.510 -0.264 0.000 1.113 141 N CA 0.552 53.466 53.050 -0.226 0.000 0.858 141 N CB 0.552 38.966 38.487 -0.122 0.000 0.970 141 N HN 0.344 8.724 8.380 -0.000 0.000 0.471 142 K N 0.171 120.433 120.400 -0.230 0.000 2.506 142 K HA 0.216 4.524 4.320 -0.020 0.000 0.204 142 K C -0.658 175.928 176.600 -0.024 0.000 1.045 142 K CA -0.189 56.057 56.287 -0.068 0.000 1.074 142 K CB 1.005 33.538 32.500 0.055 0.000 0.842 142 K HN -0.088 8.162 8.250 -0.000 0.000 0.514 143 L N 0.949 122.021 121.223 -0.252 0.000 2.372 143 L HA 0.529 4.857 4.340 -0.020 0.000 0.274 143 L C -1.682 175.111 176.870 -0.129 0.000 0.988 143 L CA -0.532 54.322 54.840 0.023 0.000 0.833 143 L CB 0.628 42.820 42.059 0.221 0.000 1.236 143 L HN -0.133 8.097 8.230 -0.000 0.000 0.410 144 F N 2.535 122.590 119.950 0.175 0.000 2.565 144 F HA 0.765 5.279 4.527 -0.020 0.000 0.313 144 F C 0.789 176.619 175.800 0.049 0.000 1.091 144 F CA -1.097 56.989 58.000 0.144 0.000 0.915 144 F CB 2.026 41.139 39.000 0.188 0.000 1.208 144 F HN 0.548 8.848 8.300 -0.000 0.000 0.453 145 G N 1.328 110.290 108.800 0.270 0.000 2.329 145 G HA2 0.486 4.435 3.960 -0.020 0.000 0.309 145 G HA3 0.486 4.435 3.960 -0.020 0.000 0.309 145 G C -0.860 173.973 174.900 -0.111 0.000 1.110 145 G CA -0.608 44.557 45.100 0.108 0.000 0.923 145 G HN 0.512 8.802 8.290 -0.000 0.000 0.430 146 V N 3.327 123.061 119.914 -0.300 0.000 2.409 146 V HA 0.087 4.196 4.120 -0.020 0.000 0.270 146 V C 1.499 177.335 176.094 -0.431 0.000 1.019 146 V CA 0.846 62.816 62.300 -0.549 0.000 1.066 146 V CB 0.098 31.605 31.823 -0.526 0.000 1.021 146 V HN 0.925 9.115 8.190 -0.000 0.000 0.476 147 T N -0.684 113.651 114.554 -0.365 0.000 3.054 147 T HA -0.036 4.302 4.350 -0.020 0.000 0.255 147 T C 1.587 176.158 174.700 -0.216 0.000 1.035 147 T CA 0.399 62.325 62.100 -0.291 0.000 0.941 147 T CB 0.025 68.807 68.868 -0.142 0.000 1.026 147 T HN 0.546 8.786 8.240 -0.000 0.000 0.533 148 T N 2.778 117.205 114.554 -0.212 0.000 2.760 148 T HA -0.136 4.202 4.350 -0.020 0.000 0.269 148 T C 1.644 176.287 174.700 -0.095 0.000 1.047 148 T CA 1.369 63.409 62.100 -0.101 0.000 1.139 148 T CB -0.549 68.293 68.868 -0.044 0.000 0.855 148 T HN 0.244 8.484 8.240 -0.000 0.000 0.471 149 L N 1.826 122.965 121.223 -0.141 0.000 2.043 149 L HA -0.146 4.182 4.340 -0.020 0.000 0.212 149 L C 1.874 178.700 176.870 -0.073 0.000 1.075 149 L CA 1.889 56.665 54.840 -0.106 0.000 0.752 149 L CB -0.749 41.238 42.059 -0.121 0.000 0.891 149 L HN 0.151 8.381 8.230 -0.000 0.000 0.432 150 D N -0.535 119.837 120.400 -0.047 0.000 2.178 150 D HA -0.169 4.459 4.640 -0.020 0.000 0.201 150 D C 2.295 178.568 176.300 -0.045 0.000 0.980 150 D CA 1.199 55.194 54.000 -0.007 0.000 0.842 150 D CB -0.033 40.794 40.800 0.045 0.000 0.948 150 D HN 0.304 8.674 8.370 -0.000 0.000 0.472 151 I N 1.866 122.408 120.570 -0.047 0.000 2.113 151 I HA -0.207 3.952 4.170 -0.020 0.000 0.238 151 I C 2.733 178.808 176.117 -0.070 0.000 1.070 151 I CA 0.851 62.127 61.300 -0.040 0.000 1.332 151 I CB -1.218 36.771 38.000 -0.019 0.000 1.044 151 I HN 0.095 8.305 8.210 -0.000 0.000 0.402 152 I N -1.329 119.191 120.570 -0.083 0.000 2.394 152 I HA -0.226 3.932 4.170 -0.020 0.000 0.251 152 I C 2.670 178.661 176.117 -0.210 0.000 1.136 152 I CA 1.245 62.477 61.300 -0.112 0.000 1.425 152 I CB -0.793 37.156 38.000 -0.087 0.000 1.079 152 I HN 0.073 8.283 8.210 -0.000 0.000 0.425 153 C N 1.119 120.257 119.300 -0.270 0.000 2.429 153 C HA -0.099 4.350 4.460 -0.020 0.000 0.277 153 C C 3.211 177.790 174.990 -0.686 0.000 1.262 153 C CA 1.484 60.156 59.018 -0.577 0.000 1.733 153 C CB -1.084 26.390 27.740 -0.444 0.000 2.010 153 C HN 0.621 8.851 8.230 -0.000 0.000 0.483 154 S N 1.441 116.968 115.700 -0.287 0.000 2.359 154 S HA -0.166 4.292 4.470 -0.020 0.000 0.224 154 S C 1.669 176.217 174.600 -0.087 0.000 1.035 154 S CA 1.559 59.690 58.200 -0.114 0.000 1.018 154 S CB -0.445 62.729 63.200 -0.042 0.000 0.876 154 S HN 0.621 8.931 8.310 -0.000 0.000 0.448 155 N N 1.204 119.845 118.700 -0.099 0.000 2.069 155 N HA -0.078 4.650 4.740 -0.020 0.000 0.191 155 N C 1.853 177.330 175.510 -0.055 0.000 1.031 155 N CA 1.711 54.732 53.050 -0.049 0.000 0.852 155 N CB -1.162 37.296 38.487 -0.049 0.000 1.018 155 N HN 0.346 8.726 8.380 -0.000 0.000 0.423 156 T N 0.950 115.408 114.554 -0.159 0.000 2.746 156 T HA -0.062 4.276 4.350 -0.020 0.000 0.267 156 T C 1.525 176.251 174.700 0.043 0.000 1.039 156 T CA 0.987 63.014 62.100 -0.122 0.000 1.142 156 T CB -0.319 68.398 68.868 -0.251 0.000 0.866 156 T HN 0.109 8.349 8.240 -0.000 0.000 0.444 157 F N 0.856 120.817 119.950 0.019 0.000 2.206 157 F HA 0.077 4.591 4.527 -0.020 0.000 0.298 157 F C 2.461 178.287 175.800 0.044 0.000 1.090 157 F CA -0.517 57.494 58.000 0.019 0.000 1.323 157 F CB -1.426 37.575 39.000 0.001 0.000 1.028 157 F HN -0.017 8.283 8.300 -0.000 0.000 0.492 158 V N 0.156 120.207 119.914 0.229 0.000 2.358 158 V HA -0.240 3.868 4.120 -0.020 0.000 0.246 158 V C 2.648 178.844 176.094 0.171 0.000 1.047 158 V CA 1.637 64.076 62.300 0.231 0.000 1.035 158 V CB -1.360 30.610 31.823 0.244 0.000 0.658 158 V HN 0.326 8.516 8.190 -0.000 0.000 0.452 159 A N 0.911 123.802 122.820 0.118 0.000 1.902 159 A HA -0.268 4.040 4.320 -0.020 0.000 0.217 159 A C 2.242 179.875 177.584 0.081 0.000 1.181 159 A CA 1.984 54.068 52.037 0.078 0.000 0.623 159 A CB -0.491 18.539 19.000 0.051 0.000 0.818 159 A HN 0.792 8.942 8.150 -0.000 0.000 0.443 160 E N -0.495 119.769 120.200 0.108 0.000 2.152 160 E HA -0.126 4.212 4.350 -0.020 0.000 0.192 160 E C 1.850 178.502 176.600 0.086 0.000 0.983 160 E CA 1.220 57.678 56.400 0.096 0.000 0.818 160 E CB -0.368 29.405 29.700 0.121 0.000 0.758 160 E HN 0.451 8.811 8.360 -0.000 0.000 0.467 161 L N 0.868 122.159 121.223 0.112 0.000 2.068 161 L HA 0.013 4.341 4.340 -0.020 0.000 0.204 161 L C 1.629 178.546 176.870 0.078 0.000 1.076 161 L CA 1.496 56.396 54.840 0.099 0.000 0.753 161 L CB 0.069 42.213 42.059 0.141 0.000 0.910 161 L HN -0.126 8.104 8.230 -0.000 0.000 0.439 162 K N 0.555 121.003 120.400 0.080 0.000 2.437 162 K HA 0.319 4.627 4.320 -0.020 0.000 0.198 162 K C 0.977 177.580 176.600 0.006 0.000 1.024 162 K CA 0.523 56.821 56.287 0.017 0.000 1.148 162 K CB -0.527 31.951 32.500 -0.037 0.000 0.860 162 K HN 0.448 8.698 8.250 -0.000 0.000 0.515 163 G N 2.374 111.188 108.800 0.024 0.000 2.249 163 G HA2 -0.273 3.675 3.960 -0.020 0.000 0.273 163 G HA3 -0.273 3.675 3.960 -0.020 0.000 0.273 163 G C -0.030 174.875 174.900 0.009 0.000 1.036 163 G CA 0.424 45.533 45.100 0.015 0.000 0.824 163 G HN 0.126 8.416 8.290 -0.000 0.000 0.504 164 K N -0.387 120.022 120.400 0.015 0.000 2.132 164 K HA 0.424 4.732 4.320 -0.020 0.000 0.241 164 K C 0.750 177.359 176.600 0.015 0.000 1.000 164 K CA -0.730 55.563 56.287 0.010 0.000 0.911 164 K CB 0.568 33.074 32.500 0.010 0.000 1.093 164 K HN 0.412 8.662 8.250 -0.000 0.000 0.460 165 Q N 2.277 122.083 119.800 0.010 0.000 2.293 165 Q HA 0.058 4.386 4.340 -0.020 0.000 0.263 165 Q C -1.395 174.612 176.000 0.012 0.000 1.002 165 Q CA -1.605 54.204 55.803 0.009 0.000 0.910 165 Q CB 0.709 29.450 28.738 0.005 0.000 1.185 165 Q HN 0.230 8.500 8.270 -0.000 0.000 0.401 166 P HA -0.192 4.228 4.420 -0.000 0.000 0.216 166 P C 0.899 178.201 177.300 0.003 0.000 1.150 166 P CA 1.416 64.521 63.100 0.009 0.000 0.843 166 P CB 0.169 31.873 31.700 0.006 0.000 0.787 167 G N -0.309 108.492 108.800 0.002 0.000 2.679 167 G HA2 -0.128 3.821 3.960 -0.020 0.000 0.212 167 G HA3 -0.128 3.821 3.960 -0.020 0.000 0.212 167 G C 1.369 176.271 174.900 0.003 0.000 1.137 167 G CA 0.198 45.298 45.100 0.000 0.000 0.787 167 G HN 0.206 8.496 8.290 -0.000 0.000 0.534 168 E N -0.197 120.006 120.200 0.006 0.000 2.472 168 E HA 0.130 4.469 4.350 -0.020 0.000 0.196 168 E C 0.385 176.993 176.600 0.012 0.000 1.033 168 E CA -0.011 56.393 56.400 0.007 0.000 0.886 168 E CB 0.874 30.578 29.700 0.006 0.000 0.944 168 E HN 0.188 8.548 8.360 -0.000 0.000 0.492 169 V N 1.856 121.780 119.914 0.016 0.000 2.439 169 V HA 0.266 4.374 4.120 -0.020 0.000 0.282 169 V C -0.147 175.960 176.094 0.022 0.000 1.039 169 V CA -0.481 61.835 62.300 0.026 0.000 0.913 169 V CB 1.608 33.454 31.823 0.038 0.000 0.983 169 V HN -0.016 8.174 8.190 -0.000 0.000 0.460 170 E N 3.941 124.159 120.200 0.030 0.000 2.409 170 E HA 0.423 4.761 4.350 -0.020 0.000 0.259 170 E C -1.422 175.200 176.600 0.038 0.000 0.932 170 E CA -0.337 56.079 56.400 0.026 0.000 0.809 170 E CB 1.591 31.305 29.700 0.024 0.000 1.341 170 E HN 0.388 8.748 8.360 -0.000 0.000 0.405 171 V N 6.198 126.132 119.914 0.034 0.000 2.432 171 V HA 0.465 4.573 4.120 -0.020 0.000 0.275 171 V C -1.969 174.144 176.094 0.032 0.000 1.043 171 V CA -1.762 60.563 62.300 0.042 0.000 0.925 171 V CB 1.037 32.880 31.823 0.035 0.000 0.985 171 V HN 0.641 8.831 8.190 -0.000 0.000 0.466 172 P HA 0.305 4.725 4.420 -0.000 0.000 0.276 172 P C -0.814 176.501 177.300 0.026 0.000 1.230 172 P CA -0.097 63.026 63.100 0.039 0.000 0.776 172 P CB 1.046 32.776 31.700 0.051 0.000 0.888 173 V N 4.698 124.621 119.914 0.015 0.000 2.604 173 V HA 0.557 4.665 4.120 -0.020 0.000 0.305 173 V C 0.501 176.577 176.094 -0.031 0.000 1.043 173 V CA -0.600 61.697 62.300 -0.005 0.000 0.888 173 V CB 1.588 33.405 31.823 -0.010 0.000 0.995 173 V HN 0.499 8.689 8.190 -0.000 0.000 0.429 174 I N 1.045 121.572 120.570 -0.071 0.000 3.239 174 I HA 1.061 5.219 4.170 -0.020 0.000 0.314 174 I C 0.600 176.516 176.117 -0.335 0.000 1.126 174 I CA -0.016 61.166 61.300 -0.196 0.000 0.973 174 I CB 2.216 40.141 38.000 -0.124 0.000 1.252 174 I HN 0.925 9.135 8.210 -0.000 0.000 0.463 175 G N 1.545 109.858 108.800 -0.811 0.000 2.947 175 G HA2 0.215 4.164 3.960 -0.020 0.000 0.251 175 G HA3 0.215 4.164 3.960 -0.020 0.000 0.251 175 G C 0.009 174.709 174.900 -0.334 0.000 1.481 175 G CA 0.016 44.677 45.100 -0.732 0.000 1.006 175 G HN 1.685 9.975 8.290 -0.000 0.000 0.561 176 G N -1.781 106.924 108.800 -0.157 0.000 2.911 176 G HA2 0.587 4.535 3.960 -0.020 0.000 0.299 176 G HA3 0.587 4.535 3.960 -0.020 0.000 0.299 176 G C -1.339 173.471 174.900 -0.149 0.000 1.283 176 G CA 0.492 45.483 45.100 -0.182 0.000 0.805 176 G HN 1.365 9.655 8.290 -0.000 0.000 0.548 177 H N 0.119 118.997 119.070 -0.319 0.000 2.539 177 H HA 0.627 5.170 4.556 -0.021 0.000 0.247 177 H C -0.326 174.899 175.328 -0.172 0.000 1.363 177 H CA -0.226 55.687 56.048 -0.224 0.000 1.371 177 H CB -0.007 29.606 29.762 -0.248 0.000 1.438 177 H HN 0.657 8.937 8.280 -0.000 0.000 0.523 178 S N 0.786 116.279 115.700 -0.345 0.000 2.558 178 S HA 0.291 4.749 4.470 -0.020 0.000 0.277 178 S C 1.352 175.836 174.600 -0.194 0.000 1.143 178 S CA -0.476 57.556 58.200 -0.281 0.000 0.865 178 S CB 0.801 63.897 63.200 -0.173 0.000 1.102 178 S HN 0.487 8.797 8.310 -0.000 0.000 0.454 179 G N 1.023 109.727 108.800 -0.160 0.000 2.626 179 G HA2 -0.193 3.755 3.960 -0.020 0.000 0.224 179 G HA3 -0.193 3.755 3.960 -0.020 0.000 0.224 179 G C 0.928 175.786 174.900 -0.069 0.000 1.095 179 G CA 1.567 46.607 45.100 -0.101 0.000 0.738 179 G HN 0.969 9.259 8.290 -0.000 0.000 0.600 180 V N 0.274 120.148 119.914 -0.068 0.000 3.263 180 V HA 0.042 4.150 4.120 -0.020 0.000 0.248 180 V C 2.548 178.619 176.094 -0.038 0.000 1.145 180 V CA 1.793 64.066 62.300 -0.044 0.000 1.107 180 V CB 0.398 32.200 31.823 -0.035 0.000 0.797 180 V HN 0.560 8.750 8.190 -0.000 0.000 0.467 181 T N -2.239 112.284 114.554 -0.051 0.000 3.145 181 T HA 0.378 4.716 4.350 -0.020 0.000 0.255 181 T C 0.360 175.021 174.700 -0.064 0.000 1.039 181 T CA 0.003 62.080 62.100 -0.039 0.000 0.928 181 T CB -0.414 68.437 68.868 -0.028 0.000 1.029 181 T HN 0.227 8.467 8.240 -0.000 0.000 0.554 182 I N 2.276 122.807 120.570 -0.064 0.000 2.312 182 I HA 0.408 4.566 4.170 -0.020 0.000 0.291 182 I C -0.762 175.341 176.117 -0.022 0.000 1.031 182 I CA -0.869 60.401 61.300 -0.051 0.000 1.293 182 I CB 1.300 39.272 38.000 -0.046 0.000 1.403 182 I HN 0.146 8.356 8.210 -0.000 0.000 0.484 183 L N 10.708 131.916 121.223 -0.025 0.000 2.427 183 L HA 0.576 4.905 4.340 -0.020 0.000 0.264 183 L C -2.618 174.258 176.870 0.011 0.000 0.989 183 L CA -1.753 53.092 54.840 0.008 0.000 0.865 183 L CB 1.501 43.562 42.059 0.004 0.000 1.209 183 L HN 0.229 8.459 8.230 -0.000 0.000 0.430 184 P HA 0.203 4.623 4.420 -0.000 0.000 0.287 184 P C -0.526 176.782 177.300 0.014 0.000 1.281 184 P CA -0.269 62.836 63.100 0.008 0.000 0.781 184 P CB 1.151 32.849 31.700 -0.004 0.000 0.903 185 L N 4.879 126.117 121.223 0.025 0.000 2.391 185 L HA 0.139 4.467 4.340 -0.020 0.000 0.249 185 L C 1.808 178.699 176.870 0.036 0.000 1.308 185 L CA -0.249 54.615 54.840 0.041 0.000 1.209 185 L CB -0.604 41.488 42.059 0.055 0.000 1.401 185 L HN 0.333 8.562 8.230 -0.000 0.000 0.416 186 L N 0.435 121.646 121.223 -0.021 0.000 2.353 186 L HA -0.171 4.157 4.340 -0.020 0.000 0.220 186 L C 2.606 179.567 176.870 0.151 0.000 1.133 186 L CA 1.161 55.983 54.840 -0.031 0.000 0.798 186 L CB -0.302 41.500 42.059 -0.428 0.000 0.922 186 L HN 0.732 8.962 8.230 -0.000 0.000 0.445 187 S N -0.960 114.801 115.700 0.101 0.000 2.515 187 S HA -0.145 4.314 4.470 -0.020 0.000 0.231 187 S C 1.581 176.251 174.600 0.117 0.000 0.987 187 S CA 0.477 58.753 58.200 0.127 0.000 0.936 187 S CB -0.069 63.188 63.200 0.095 0.000 0.766 187 S HN 0.545 8.855 8.310 -0.000 0.000 0.528 188 Q N 0.722 120.587 119.800 0.107 0.000 2.220 188 Q HA 0.317 4.645 4.340 -0.020 0.000 0.205 188 Q C -0.762 175.292 176.000 0.090 0.000 0.865 188 Q CA -0.222 55.633 55.803 0.088 0.000 0.960 188 Q CB 0.957 29.739 28.738 0.074 0.000 1.097 188 Q HN 0.373 8.643 8.270 -0.000 0.000 0.493 189 V N 4.469 124.459 119.914 0.127 0.000 2.427 189 V HA 0.152 4.260 4.120 -0.020 0.000 0.268 189 V C -1.806 174.326 176.094 0.063 0.000 1.046 189 V CA -1.438 60.931 62.300 0.114 0.000 0.970 189 V CB 0.314 32.254 31.823 0.195 0.000 1.001 189 V HN 0.144 8.334 8.190 -0.000 0.000 0.476 190 P HA 0.246 4.666 4.420 -0.000 0.000 0.275 190 P C 0.879 178.171 177.300 -0.013 0.000 1.227 190 P CA 0.812 63.920 63.100 0.013 0.000 0.781 190 P CB 1.323 33.032 31.700 0.016 0.000 0.906 191 G N 1.446 110.229 108.800 -0.028 0.000 2.267 191 G HA2 -0.220 3.728 3.960 -0.020 0.000 0.257 191 G HA3 -0.220 3.728 3.960 -0.020 0.000 0.257 191 G C 0.065 174.907 174.900 -0.096 0.000 0.998 191 G CA 0.305 45.375 45.100 -0.049 0.000 0.620 191 G HN 0.810 9.100 8.290 -0.000 0.000 0.529 192 V N -0.871 118.957 119.914 -0.142 0.000 2.769 192 V HA 0.972 5.080 4.120 -0.020 0.000 0.312 192 V C -0.021 175.845 176.094 -0.379 0.000 1.058 192 V CA 0.150 62.270 62.300 -0.301 0.000 0.952 192 V CB 1.958 33.535 31.823 -0.410 0.000 1.019 192 V HN 1.545 9.735 8.190 -0.000 0.000 0.445 193 S N 2.682 118.093 115.700 -0.481 0.000 2.548 193 S HA 0.888 5.346 4.470 -0.020 0.000 0.286 193 S C -1.186 173.123 174.600 -0.485 0.000 1.098 193 S CA -0.613 57.384 58.200 -0.339 0.000 0.930 193 S CB 1.594 64.713 63.200 -0.135 0.000 1.070 193 S HN 0.734 9.044 8.310 -0.000 0.000 0.480 194 F N 0.768 120.701 119.950 -0.029 0.000 2.577 194 F HA 0.644 5.159 4.527 -0.020 0.000 0.318 194 F C 1.094 176.867 175.800 -0.046 0.000 1.065 194 F CA -0.715 57.260 58.000 -0.042 0.000 0.929 194 F CB 2.123 41.084 39.000 -0.064 0.000 1.237 194 F HN 0.845 9.145 8.300 -0.000 0.000 0.468 195 T N -2.674 111.973 114.554 0.156 0.000 2.732 195 T HA 0.210 4.548 4.350 -0.020 0.000 0.287 195 T C 0.881 175.602 174.700 0.035 0.000 0.993 195 T CA -0.343 61.799 62.100 0.070 0.000 0.966 195 T CB 0.913 69.807 68.868 0.043 0.000 1.047 195 T HN 0.755 8.995 8.240 -0.000 0.000 0.527 196 E N 0.258 120.462 120.200 0.006 0.000 2.107 196 E HA -0.155 4.184 4.350 -0.020 0.000 0.191 196 E C 2.483 179.045 176.600 -0.064 0.000 0.982 196 E CA 0.911 57.290 56.400 -0.034 0.000 0.809 196 E CB -0.001 29.705 29.700 0.010 0.000 0.756 196 E HN 0.729 9.089 8.360 -0.000 0.000 0.459 197 Q N 0.477 120.262 119.800 -0.025 0.000 2.224 197 Q HA -0.172 4.156 4.340 -0.020 0.000 0.203 197 Q C 1.366 177.332 176.000 -0.056 0.000 0.970 197 Q CA 1.136 56.921 55.803 -0.030 0.000 0.865 197 Q CB -0.221 28.513 28.738 -0.007 0.000 0.922 197 Q HN 0.399 8.669 8.270 -0.000 0.000 0.445 198 E N 0.924 121.098 120.200 -0.042 0.000 2.072 198 E HA -0.066 4.273 4.350 -0.020 0.000 0.190 198 E C 2.270 178.747 176.600 -0.206 0.000 0.982 198 E CA 1.043 57.416 56.400 -0.047 0.000 0.803 198 E CB 0.025 29.790 29.700 0.108 0.000 0.755 198 E HN 0.115 8.475 8.360 -0.000 0.000 0.453 199 V N 1.755 121.489 119.914 -0.300 0.000 2.343 199 V HA -0.291 3.818 4.120 -0.020 0.000 0.247 199 V C 2.377 178.149 176.094 -0.537 0.000 1.051 199 V CA 1.960 63.927 62.300 -0.555 0.000 1.036 199 V CB -0.685 30.708 31.823 -0.716 0.000 0.654 199 V HN 0.313 8.503 8.190 -0.000 0.000 0.451 200 A N -0.185 122.413 122.820 -0.370 0.000 1.858 200 A HA -0.243 4.065 4.320 -0.020 0.000 0.216 200 A C 2.047 179.586 177.584 -0.074 0.000 1.190 200 A CA 2.026 53.981 52.037 -0.137 0.000 0.617 200 A CB -0.658 18.343 19.000 0.001 0.000 0.827 200 A HN 0.550 8.700 8.150 -0.000 0.000 0.443 201 D N 0.043 120.389 120.400 -0.090 0.000 2.097 201 D HA -0.110 4.518 4.640 -0.020 0.000 0.195 201 D C 2.043 178.284 176.300 -0.097 0.000 0.989 201 D CA 1.028 54.983 54.000 -0.075 0.000 0.827 201 D CB -0.422 40.337 40.800 -0.070 0.000 0.966 201 D HN 0.396 8.766 8.370 -0.000 0.000 0.456 202 L N 0.842 121.984 121.223 -0.136 0.000 2.042 202 L HA -0.185 4.143 4.340 -0.020 0.000 0.210 202 L C 2.531 179.353 176.870 -0.080 0.000 1.076 202 L CA 1.240 56.003 54.840 -0.127 0.000 0.749 202 L CB -0.591 41.337 42.059 -0.218 0.000 0.893 202 L HN 0.071 8.301 8.230 -0.000 0.000 0.432 203 T N -0.806 113.687 114.554 -0.101 0.000 2.746 203 T HA -0.204 4.134 4.350 -0.020 0.000 0.267 203 T C 1.924 176.640 174.700 0.027 0.000 1.039 203 T CA 1.234 63.327 62.100 -0.012 0.000 1.142 203 T CB -0.042 68.868 68.868 0.070 0.000 0.866 203 T HN 0.259 8.499 8.240 -0.000 0.000 0.444 204 K N 0.479 120.886 120.400 0.011 0.000 2.057 204 K HA 0.004 4.313 4.320 -0.020 0.000 0.206 204 K C 2.547 179.138 176.600 -0.015 0.000 1.050 204 K CA 0.915 57.205 56.287 0.004 0.000 0.935 204 K CB -0.073 32.422 32.500 -0.008 0.000 0.715 204 K HN 0.095 8.345 8.250 -0.000 0.000 0.439 205 R N 0.997 121.466 120.500 -0.051 0.000 2.081 205 R HA -0.068 4.260 4.340 -0.020 0.000 0.235 205 R C 2.036 178.376 176.300 0.066 0.000 1.131 205 R CA 1.259 57.297 56.100 -0.102 0.000 0.960 205 R CB -0.184 29.936 30.300 -0.300 0.000 0.856 205 R HN 0.091 8.361 8.270 -0.000 0.000 0.436 206 I N 0.589 121.254 120.570 0.158 0.000 2.226 206 I HA -0.287 3.872 4.170 -0.020 0.000 0.245 206 I C 2.397 178.587 176.117 0.121 0.000 1.100 206 I CA 1.410 62.855 61.300 0.242 0.000 1.374 206 I CB -0.235 37.859 38.000 0.157 0.000 1.057 206 I HN 0.291 8.501 8.210 -0.000 0.000 0.413 207 Q N 0.446 120.280 119.800 0.057 0.000 2.084 207 Q HA -0.159 4.169 4.340 -0.020 0.000 0.202 207 Q C 1.281 177.279 176.000 -0.003 0.000 0.978 207 Q CA 1.273 57.082 55.803 0.010 0.000 0.844 207 Q CB -0.099 28.638 28.738 -0.001 0.000 0.898 207 Q HN 0.514 8.784 8.270 -0.000 0.000 0.426 208 N N -0.353 118.355 118.700 0.014 0.000 2.270 208 N HA 0.123 4.852 4.740 -0.020 0.000 0.198 208 N C 0.984 176.513 175.510 0.032 0.000 1.117 208 N CA 0.546 53.598 53.050 0.003 0.000 0.845 208 N CB 0.370 38.849 38.487 -0.013 0.000 0.980 208 N HN 0.162 8.542 8.380 -0.000 0.000 0.486 209 A N 1.118 123.993 122.820 0.093 0.000 1.892 209 A HA -0.112 4.196 4.320 -0.020 0.000 0.218 209 A C 2.348 179.989 177.584 0.095 0.000 1.188 209 A CA 2.097 54.230 52.037 0.161 0.000 0.631 209 A CB -1.242 17.920 19.000 0.271 0.000 0.822 209 A HN 0.323 8.473 8.150 -0.000 0.000 0.447 210 G N -1.419 107.417 108.800 0.060 0.000 2.440 210 G HA2 -0.195 3.753 3.960 -0.020 0.000 0.218 210 G HA3 -0.195 3.753 3.960 -0.020 0.000 0.218 210 G C 1.579 176.492 174.900 0.022 0.000 1.154 210 G CA 1.718 46.842 45.100 0.041 0.000 0.767 210 G HN 0.450 8.740 8.290 -0.000 0.000 0.552 211 T N 0.263 114.821 114.554 0.006 0.000 2.746 211 T HA -0.082 4.256 4.350 -0.020 0.000 0.267 211 T C 2.100 176.804 174.700 0.007 0.000 1.039 211 T CA 1.420 63.519 62.100 -0.001 0.000 1.142 211 T CB -0.182 68.679 68.868 -0.013 0.000 0.866 211 T HN 0.559 8.799 8.240 -0.000 0.000 0.444 212 E N 0.590 120.800 120.200 0.017 0.000 2.130 212 E HA -0.160 4.178 4.350 -0.020 0.000 0.196 212 E C 2.103 178.717 176.600 0.025 0.000 0.998 212 E CA 1.252 57.663 56.400 0.018 0.000 0.806 212 E CB -0.066 29.652 29.700 0.031 0.000 0.738 212 E HN 0.321 8.681 8.360 -0.000 0.000 0.459 213 V N 0.408 120.342 119.914 0.034 0.000 2.323 213 V HA -0.205 3.903 4.120 -0.020 0.000 0.244 213 V C 2.505 178.609 176.094 0.017 0.000 1.041 213 V CA 1.298 63.616 62.300 0.030 0.000 1.025 213 V CB -0.326 31.517 31.823 0.034 0.000 0.656 213 V HN 0.178 8.368 8.190 -0.000 0.000 0.451 214 V N 0.057 119.979 119.914 0.013 0.000 2.282 214 V HA -0.262 3.846 4.120 -0.020 0.000 0.249 214 V C 2.678 178.774 176.094 0.004 0.000 1.057 214 V CA 2.058 64.362 62.300 0.006 0.000 1.032 214 V CB -0.650 31.175 31.823 0.002 0.000 0.645 214 V HN 0.557 8.747 8.190 -0.000 0.000 0.447 215 E N 0.317 120.519 120.200 0.003 0.000 2.031 215 E HA -0.190 4.148 4.350 -0.020 0.000 0.193 215 E C 2.416 179.018 176.600 0.002 0.000 0.994 215 E CA 1.582 57.983 56.400 0.000 0.000 0.800 215 E CB -0.736 28.963 29.700 -0.002 0.000 0.752 215 E HN 0.562 8.922 8.360 -0.000 0.000 0.447 216 A N 1.462 124.285 122.820 0.005 0.000 1.986 216 A HA -0.207 4.101 4.320 -0.020 0.000 0.220 216 A C 1.995 179.583 177.584 0.006 0.000 1.171 216 A CA 1.639 53.680 52.037 0.006 0.000 0.640 216 A CB -0.351 18.656 19.000 0.012 0.000 0.811 216 A HN 0.099 8.249 8.150 -0.000 0.000 0.451 217 K N -1.265 119.138 120.400 0.006 0.000 2.444 217 K HA 0.353 4.661 4.320 -0.020 0.000 0.193 217 K C 0.600 177.201 176.600 0.002 0.000 1.024 217 K CA 0.465 56.755 56.287 0.004 0.000 1.077 217 K CB -0.115 32.388 32.500 0.005 0.000 0.833 217 K HN 0.603 8.853 8.250 -0.000 0.000 0.517 218 A N 1.027 123.848 122.820 0.001 0.000 2.415 218 A HA -0.193 4.115 4.320 -0.020 0.000 0.292 218 A C 1.038 178.622 177.584 -0.001 0.000 1.452 218 A CA 0.934 52.971 52.037 -0.001 0.000 0.750 218 A CB -2.273 16.726 19.000 -0.001 0.000 1.099 218 A HN 0.677 8.827 8.150 -0.000 0.000 0.391 219 G N -1.951 106.849 108.800 -0.001 0.000 2.199 219 G HA2 -0.012 3.936 3.960 -0.020 0.000 0.254 219 G HA3 -0.012 3.936 3.960 -0.020 0.000 0.254 219 G C 1.754 176.653 174.900 -0.003 0.000 0.982 219 G CA 1.140 46.239 45.100 -0.002 0.000 0.632 219 G HN 2.300 10.590 8.290 -0.000 0.000 0.529 220 G N 0.055 108.854 108.800 -0.002 0.000 2.920 220 G HA2 0.580 4.528 3.960 -0.020 0.000 0.208 220 G HA3 0.580 4.528 3.960 -0.020 0.000 0.208 220 G C 1.132 176.030 174.900 -0.003 0.000 1.159 220 G CA 1.534 46.632 45.100 -0.002 0.000 0.784 220 G HN 2.064 10.354 8.290 -0.000 0.000 0.535 221 G N -1.012 107.787 108.800 -0.002 0.000 2.371 221 G HA2 0.352 4.300 3.960 -0.020 0.000 0.663 221 G HA3 0.352 4.300 3.960 -0.020 0.000 0.663 221 G C -0.057 174.844 174.900 0.002 0.000 1.311 221 G CA -0.056 45.043 45.100 -0.002 0.000 0.985 221 G HN 1.060 9.350 8.290 -0.000 0.000 0.566 222 S N -0.440 115.261 115.700 0.003 0.000 2.623 222 S HA 0.879 5.337 4.470 -0.020 0.000 0.287 222 S C 0.873 175.479 174.600 0.009 0.000 1.123 222 S CA 0.401 58.606 58.200 0.008 0.000 1.016 222 S CB 1.043 64.249 63.200 0.010 0.000 1.233 222 S HN 2.450 10.760 8.310 -0.000 0.000 0.512 223 A N 0.864 123.693 122.820 0.015 0.000 2.524 223 A HA 0.466 4.774 4.320 -0.020 0.000 0.250 223 A C 1.109 178.694 177.584 0.002 0.000 1.078 223 A CA 0.324 52.368 52.037 0.012 0.000 0.761 223 A CB -0.733 18.278 19.000 0.018 0.000 1.012 223 A HN 1.064 9.214 8.150 -0.000 0.000 0.500 224 T N 0.266 114.820 114.554 -0.001 0.000 3.176 224 T HA 0.124 4.462 4.350 -0.020 0.000 0.259 224 T C 1.581 176.276 174.700 -0.008 0.000 0.978 224 T CA 0.550 62.647 62.100 -0.006 0.000 1.050 224 T CB -0.538 68.327 68.868 -0.005 0.000 1.136 224 T HN 0.305 8.545 8.240 -0.000 0.000 0.465 225 L N 2.484 123.703 121.223 -0.005 0.000 2.044 225 L HA 0.037 4.365 4.340 -0.020 0.000 0.205 225 L C 3.148 180.012 176.870 -0.010 0.000 1.075 225 L CA 1.662 56.498 54.840 -0.006 0.000 0.747 225 L CB -0.803 41.254 42.059 -0.003 0.000 0.903 225 L HN 0.450 8.680 8.230 -0.000 0.000 0.435 226 S N -0.438 115.255 115.700 -0.011 0.000 2.402 226 S HA -0.212 4.246 4.470 -0.020 0.000 0.229 226 S C 1.924 176.507 174.600 -0.027 0.000 1.021 226 S CA 1.143 59.331 58.200 -0.021 0.000 0.974 226 S CB -0.401 62.784 63.200 -0.024 0.000 0.800 226 S HN 0.271 8.581 8.310 -0.000 0.000 0.484 227 M N 2.972 122.557 119.600 -0.025 0.000 2.200 227 M HA 0.238 4.706 4.480 -0.020 0.000 0.265 227 M C 1.999 178.283 176.300 -0.027 0.000 1.066 227 M CA 1.304 56.583 55.300 -0.036 0.000 1.127 227 M CB -1.335 31.245 32.600 -0.033 0.000 1.379 227 M HN 0.347 8.637 8.290 -0.000 0.000 0.420 228 G N -0.812 107.978 108.800 -0.017 0.000 2.402 228 G HA2 -0.262 3.686 3.960 -0.020 0.000 0.216 228 G HA3 -0.262 3.686 3.960 -0.020 0.000 0.216 228 G C 1.376 176.273 174.900 -0.005 0.000 1.162 228 G CA 1.043 46.138 45.100 -0.008 0.000 0.777 228 G HN 0.522 8.812 8.290 -0.000 0.000 0.539 229 Q N 1.083 120.877 119.800 -0.010 0.000 2.020 229 Q HA 0.053 4.381 4.340 -0.020 0.000 0.202 229 Q C 2.671 178.669 176.000 -0.004 0.000 0.982 229 Q CA 2.255 58.053 55.803 -0.009 0.000 0.838 229 Q CB -0.826 27.903 28.738 -0.015 0.000 0.899 229 Q HN 0.339 8.609 8.270 -0.000 0.000 0.423 230 A N 0.544 123.356 122.820 -0.013 0.000 1.892 230 A HA -0.130 4.179 4.320 -0.020 0.000 0.218 230 A C 2.351 179.953 177.584 0.029 0.000 1.188 230 A CA 2.430 54.462 52.037 -0.009 0.000 0.631 230 A CB -1.418 17.553 19.000 -0.047 0.000 0.822 230 A HN 0.594 8.744 8.150 -0.000 0.000 0.447 231 A N -0.438 122.394 122.820 0.019 0.000 1.933 231 A HA 0.174 4.483 4.320 -0.020 0.000 0.218 231 A C 2.478 180.114 177.584 0.087 0.000 1.175 231 A CA 2.078 54.154 52.037 0.064 0.000 0.628 231 A CB -0.932 18.084 19.000 0.027 0.000 0.814 231 A HN 1.102 9.252 8.150 -0.000 0.000 0.444 232 A N -0.316 122.528 122.820 0.039 0.000 1.930 232 A HA -0.129 4.179 4.320 -0.020 0.000 0.217 232 A C 2.228 179.818 177.584 0.009 0.000 1.175 232 A CA 1.613 53.662 52.037 0.019 0.000 0.627 232 A CB -0.473 18.530 19.000 0.005 0.000 0.815 232 A HN 0.570 8.720 8.150 -0.000 0.000 0.443 233 R N -1.684 118.830 120.500 0.023 0.000 2.073 233 R HA -0.158 4.170 4.340 -0.020 0.000 0.234 233 R C 1.960 178.261 176.300 0.001 0.000 1.134 233 R CA 1.913 58.019 56.100 0.010 0.000 0.952 233 R CB -0.475 29.841 30.300 0.027 0.000 0.850 233 R HN 0.460 8.730 8.270 -0.000 0.000 0.433 234 F N 0.757 120.662 119.950 -0.075 0.000 2.134 234 F HA 0.009 4.524 4.527 -0.021 0.000 0.299 234 F C 2.026 177.755 175.800 -0.118 0.000 1.097 234 F CA 1.879 59.816 58.000 -0.104 0.000 1.264 234 F CB -0.726 38.205 39.000 -0.115 0.000 1.001 234 F HN 0.131 8.431 8.300 -0.000 0.000 0.479 235 G N 0.509 109.234 108.800 -0.125 0.000 2.418 235 G HA2 -0.209 3.739 3.960 -0.020 0.000 0.217 235 G HA3 -0.209 3.739 3.960 -0.020 0.000 0.217 235 G C 1.781 176.551 174.900 -0.216 0.000 1.158 235 G CA 1.018 46.011 45.100 -0.179 0.000 0.771 235 G HN 0.418 8.708 8.290 -0.000 0.000 0.545 236 L N 0.767 121.902 121.223 -0.148 0.000 2.083 236 L HA -0.077 4.252 4.340 -0.020 0.000 0.209 236 L C 3.177 179.946 176.870 -0.168 0.000 1.083 236 L CA 1.084 55.850 54.840 -0.123 0.000 0.752 236 L CB -0.333 41.681 42.059 -0.074 0.000 0.899 236 L HN 0.172 8.402 8.230 -0.000 0.000 0.433 237 S N 0.024 115.583 115.700 -0.235 0.000 2.368 237 S HA -0.125 4.333 4.470 -0.020 0.000 0.225 237 S C 1.977 176.397 174.600 -0.299 0.000 1.030 237 S CA 1.140 59.192 58.200 -0.246 0.000 0.999 237 S CB -0.229 62.807 63.200 -0.273 0.000 0.844 237 S HN 0.288 8.598 8.310 -0.000 0.000 0.459 238 L N 0.908 121.854 121.223 -0.462 0.000 2.093 238 L HA -0.076 4.252 4.340 -0.020 0.000 0.208 238 L C 2.304 179.050 176.870 -0.207 0.000 1.085 238 L CA 0.781 55.385 54.840 -0.393 0.000 0.755 238 L CB -0.486 41.265 42.059 -0.514 0.000 0.904 238 L HN 0.200 8.430 8.230 -0.000 0.000 0.435 239 V N -0.219 119.588 119.914 -0.178 0.000 2.261 239 V HA -0.306 3.802 4.120 -0.020 0.000 0.246 239 V C 2.578 178.624 176.094 -0.080 0.000 1.047 239 V CA 1.797 64.035 62.300 -0.102 0.000 1.015 239 V CB -0.549 31.225 31.823 -0.081 0.000 0.642 239 V HN 0.396 8.586 8.190 -0.000 0.000 0.446 240 R N 0.044 120.492 120.500 -0.087 0.000 2.103 240 R HA -0.186 4.142 4.340 -0.020 0.000 0.242 240 R C 2.385 178.653 176.300 -0.054 0.000 1.142 240 R CA 1.728 57.790 56.100 -0.062 0.000 0.960 240 R CB -0.667 29.595 30.300 -0.063 0.000 0.858 240 R HN 0.561 8.831 8.270 -0.000 0.000 0.439 241 A N 0.731 123.509 122.820 -0.069 0.000 1.898 241 A HA -0.088 4.220 4.320 -0.020 0.000 0.216 241 A C 2.088 179.653 177.584 -0.031 0.000 1.181 241 A CA 1.026 53.035 52.037 -0.047 0.000 0.620 241 A CB -0.477 18.490 19.000 -0.054 0.000 0.819 241 A HN 0.213 8.363 8.150 -0.000 0.000 0.442 242 L N -0.654 120.545 121.223 -0.039 0.000 2.353 242 L HA -0.178 4.150 4.340 -0.020 0.000 0.220 242 L C 2.238 179.099 176.870 -0.014 0.000 1.133 242 L CA 0.919 55.748 54.840 -0.019 0.000 0.798 242 L CB -0.307 41.740 42.059 -0.020 0.000 0.922 242 L HN 0.531 8.761 8.230 -0.000 0.000 0.445 243 Q N -0.779 119.009 119.800 -0.021 0.000 2.319 243 Q HA 0.137 4.465 4.340 -0.020 0.000 0.202 243 Q C 1.253 177.246 176.000 -0.011 0.000 0.896 243 Q CA 0.534 56.328 55.803 -0.015 0.000 0.942 243 Q CB 0.905 29.632 28.738 -0.018 0.000 1.083 243 Q HN 0.542 8.812 8.270 -0.000 0.000 0.510 244 G N 1.201 109.994 108.800 -0.011 0.000 2.163 244 G HA2 -0.216 3.732 3.960 -0.020 0.000 0.213 244 G HA3 -0.216 3.732 3.960 -0.020 0.000 0.213 244 G C -0.160 174.735 174.900 -0.008 0.000 0.991 244 G CA -0.391 44.705 45.100 -0.007 0.000 0.653 244 G HN 0.273 8.563 8.290 -0.000 0.000 0.518 245 E N 0.517 120.708 120.200 -0.014 0.000 2.383 245 E HA 0.318 4.656 4.350 -0.020 0.000 0.264 245 E C 0.224 176.819 176.600 -0.009 0.000 1.050 245 E CA -0.045 56.347 56.400 -0.013 0.000 0.896 245 E CB 0.403 30.091 29.700 -0.020 0.000 0.982 245 E HN 0.286 8.646 8.360 -0.000 0.000 0.424 246 Q N -0.048 119.748 119.800 -0.005 0.000 2.215 246 Q HA 0.320 4.648 4.340 -0.020 0.000 0.256 246 Q C 0.430 176.430 176.000 -0.000 0.000 0.972 246 Q CA -0.170 55.633 55.803 -0.001 0.000 0.889 246 Q CB 1.672 30.412 28.738 0.002 0.000 1.281 246 Q HN 0.877 9.147 8.270 -0.000 0.000 0.456 247 G N 0.377 109.180 108.800 0.005 0.000 2.221 247 G HA2 -0.223 3.725 3.960 -0.020 0.000 0.265 247 G HA3 -0.223 3.725 3.960 -0.020 0.000 0.265 247 G C -0.175 174.729 174.900 0.005 0.000 1.041 247 G CA 0.217 45.322 45.100 0.008 0.000 0.807 247 G HN 0.322 8.612 8.290 -0.000 0.000 0.502 248 V N 0.441 120.355 119.914 0.000 0.000 2.368 248 V HA 0.490 4.598 4.120 -0.020 0.000 0.266 248 V C 0.613 176.712 176.094 0.009 0.000 1.045 248 V CA -0.585 61.709 62.300 -0.010 0.000 0.899 248 V CB 1.536 33.338 31.823 -0.035 0.000 1.006 248 V HN 0.256 8.446 8.190 -0.000 0.000 0.470 249 V N 5.127 125.052 119.914 0.018 0.000 2.495 249 V HA 0.615 4.723 4.120 -0.020 0.000 0.298 249 V C -0.263 175.863 176.094 0.054 0.000 1.031 249 V CA -0.503 61.823 62.300 0.044 0.000 0.871 249 V CB 1.915 33.765 31.823 0.046 0.000 0.988 249 V HN 0.814 9.004 8.190 -0.000 0.000 0.432 250 E N 2.010 122.264 120.200 0.091 0.000 2.308 250 E HA 0.365 4.703 4.350 -0.020 0.000 0.275 250 E C -1.347 175.354 176.600 0.169 0.000 0.890 250 E CA -0.414 56.065 56.400 0.132 0.000 0.754 250 E CB 2.143 31.947 29.700 0.173 0.000 1.207 250 E HN 0.634 8.994 8.360 -0.000 0.000 0.426 251 C N 2.044 121.426 119.300 0.136 0.000 2.527 251 C HA 0.808 5.256 4.460 -0.020 0.000 0.396 251 C C 0.527 175.602 174.990 0.142 0.000 1.289 251 C CA 0.026 59.118 59.018 0.124 0.000 2.047 251 C CB -0.485 27.296 27.740 0.068 0.000 2.568 251 C HN 0.712 8.942 8.230 -0.000 0.000 0.573 252 A N 2.481 125.409 122.820 0.180 0.000 2.609 252 A HA 0.641 4.950 4.320 -0.020 0.000 0.291 252 A C -1.713 176.020 177.584 0.247 0.000 1.096 252 A CA -0.478 51.670 52.037 0.185 0.000 0.684 252 A CB 0.654 19.869 19.000 0.359 0.000 1.282 252 A HN 0.763 8.913 8.150 -0.000 0.000 0.412 253 Y N 1.701 122.047 120.300 0.075 0.000 2.454 253 Y HA 0.509 5.048 4.550 -0.019 0.000 0.345 253 Y C -0.016 175.994 175.900 0.183 0.000 0.970 253 Y CA -0.069 58.087 58.100 0.093 0.000 1.204 253 Y CB 0.781 39.256 38.460 0.025 0.000 1.122 253 Y HN 0.963 9.243 8.280 -0.000 0.000 0.514 254 V N 2.417 122.375 119.914 0.073 0.000 3.141 254 V HA 0.564 4.672 4.120 -0.020 0.000 0.312 254 V C -0.773 175.364 176.094 0.070 0.000 1.157 254 V CA -1.368 60.977 62.300 0.076 0.000 1.041 254 V CB 1.858 33.686 31.823 0.009 0.000 1.071 254 V HN 0.686 8.876 8.190 -0.000 0.000 0.441 255 E N 0.667 120.913 120.200 0.077 0.000 2.259 255 E HA 0.614 4.952 4.350 -0.020 0.000 0.281 255 E C 0.134 176.646 176.600 -0.147 0.000 1.037 255 E CA 0.340 56.596 56.400 -0.240 0.000 0.854 255 E CB 0.949 30.451 29.700 -0.329 0.000 1.051 255 E HN 1.133 9.493 8.360 -0.000 0.000 0.409 256 G N 2.866 111.577 108.800 -0.149 0.000 3.247 256 G HA2 0.054 4.002 3.960 -0.020 0.000 0.226 256 G HA3 0.054 4.002 3.960 -0.020 0.000 0.226 256 G C -0.032 174.804 174.900 -0.107 0.000 1.220 256 G CA 0.034 45.086 45.100 -0.080 0.000 0.875 256 G HN 0.700 8.990 8.290 -0.000 0.000 0.606 257 D N -0.930 119.418 120.400 -0.086 0.000 2.392 257 D HA 0.171 4.799 4.640 -0.020 0.000 0.228 257 D C 1.692 177.907 176.300 -0.142 0.000 1.003 257 D CA 0.977 54.912 54.000 -0.108 0.000 0.917 257 D CB -0.581 40.160 40.800 -0.099 0.000 0.890 257 D HN 1.303 9.673 8.370 -0.000 0.000 0.532 258 G N 0.555 109.264 108.800 -0.152 0.000 2.233 258 G HA2 -0.467 3.482 3.960 -0.020 0.000 0.270 258 G HA3 -0.467 3.482 3.960 -0.020 0.000 0.270 258 G C 0.788 175.555 174.900 -0.222 0.000 1.011 258 G CA 0.680 45.681 45.100 -0.165 0.000 0.762 258 G HN 0.537 8.827 8.290 -0.000 0.000 0.511 259 Q N -1.656 117.948 119.800 -0.326 0.000 2.226 259 Q HA -0.106 4.222 4.340 -0.020 0.000 0.204 259 Q C 1.811 177.384 176.000 -0.712 0.000 0.975 259 Q CA 1.886 57.367 55.803 -0.536 0.000 0.866 259 Q CB -0.029 28.292 28.738 -0.696 0.000 0.915 259 Q HN 0.787 9.057 8.270 -0.000 0.000 0.440 260 Y N -1.716 118.366 120.300 -0.364 0.000 2.609 260 Y HA 0.488 5.026 4.550 -0.020 0.000 0.281 260 Y C 0.503 176.285 175.900 -0.196 0.000 1.132 260 Y CA 0.214 58.084 58.100 -0.382 0.000 1.264 260 Y CB 0.849 38.794 38.460 -0.859 0.000 1.325 260 Y HN 0.084 8.364 8.280 -0.000 0.000 0.514 261 A N -0.774 122.036 122.820 -0.017 0.000 2.601 261 A HA 0.445 4.753 4.320 -0.020 0.000 0.291 261 A C 0.478 178.064 177.584 0.002 0.000 1.075 261 A CA -0.700 51.381 52.037 0.074 0.000 0.671 261 A CB 0.947 20.095 19.000 0.247 0.000 1.277 261 A HN -0.052 8.098 8.150 -0.000 0.000 0.417 262 R N -0.473 120.000 120.500 -0.045 0.000 2.096 262 R HA -0.089 4.240 4.340 -0.020 0.000 0.240 262 R C -0.518 175.496 176.300 -0.477 0.000 1.139 262 R CA 1.768 57.706 56.100 -0.269 0.000 0.952 262 R CB -0.383 29.744 30.300 -0.288 0.000 0.854 262 R HN 0.591 8.861 8.270 -0.000 0.000 0.436 263 F N -1.089 118.821 119.950 -0.067 0.000 2.469 263 F HA 0.416 4.933 4.527 -0.018 0.000 0.332 263 F C -0.359 175.343 175.800 -0.164 0.000 1.103 263 F CA -0.818 56.990 58.000 -0.319 0.000 0.979 263 F CB 1.490 40.064 39.000 -0.710 0.000 1.137 263 F HN -0.168 8.132 8.300 -0.000 0.000 0.463 264 F N 1.134 120.966 119.950 -0.196 0.000 2.628 264 F HA 0.436 4.952 4.527 -0.019 0.000 0.309 264 F C -0.755 175.126 175.800 0.135 0.000 1.108 264 F CA -0.731 57.305 58.000 0.060 0.000 0.971 264 F CB 1.861 40.931 39.000 0.115 0.000 1.279 264 F HN 0.263 8.563 8.300 -0.000 0.000 0.441 265 S N 4.832 120.398 115.700 -0.222 0.000 2.438 265 S HA 0.600 5.058 4.470 -0.020 0.000 0.293 265 S C -0.908 173.625 174.600 -0.112 0.000 1.141 265 S CA -0.294 57.879 58.200 -0.046 0.000 1.080 265 S CB 0.269 63.465 63.200 -0.008 0.000 0.978 265 S HN 0.721 9.031 8.310 -0.000 0.000 0.479 266 Q N 3.600 123.459 119.800 0.098 0.000 2.626 266 Q HA 0.607 4.935 4.340 -0.020 0.000 0.300 266 Q C -3.200 172.884 176.000 0.141 0.000 0.988 266 Q CA -2.620 53.270 55.803 0.146 0.000 0.761 266 Q CB 0.837 29.744 28.738 0.282 0.000 1.494 266 Q HN 0.267 8.537 8.270 -0.000 0.000 0.439 267 P HA 0.170 4.590 4.420 -0.000 0.000 0.268 267 P C -1.081 176.299 177.300 0.134 0.000 1.205 267 P CA 0.257 63.428 63.100 0.118 0.000 0.771 267 P CB 0.376 32.136 31.700 0.099 0.000 0.858 268 L N 2.257 123.564 121.223 0.140 0.000 2.455 268 L HA 0.445 4.774 4.340 -0.020 0.000 0.264 268 L C -0.675 176.269 176.870 0.124 0.000 0.968 268 L CA -1.141 53.789 54.840 0.150 0.000 0.827 268 L CB 1.971 44.164 42.059 0.224 0.000 1.317 268 L HN 0.183 8.413 8.230 -0.000 0.000 0.407 269 L N 3.926 125.210 121.223 0.102 0.000 2.290 269 L HA 0.507 4.835 4.340 -0.020 0.000 0.284 269 L C -0.814 176.109 176.870 0.089 0.000 1.078 269 L CA 0.237 55.123 54.840 0.076 0.000 0.815 269 L CB 0.807 42.901 42.059 0.057 0.000 1.162 269 L HN 0.417 8.647 8.230 -0.000 0.000 0.435 270 L N 5.582 126.847 121.223 0.070 0.000 2.309 270 L HA 0.803 5.131 4.340 -0.020 0.000 0.282 270 L C 0.621 177.516 176.870 0.041 0.000 1.036 270 L CA -0.356 54.528 54.840 0.074 0.000 0.806 270 L CB 1.375 43.446 42.059 0.021 0.000 1.220 270 L HN 0.787 9.017 8.230 -0.000 0.000 0.429 271 G N 0.931 109.762 108.800 0.051 0.000 3.222 271 G HA2 0.308 4.257 3.960 -0.020 0.000 0.263 271 G HA3 0.308 4.257 3.960 -0.020 0.000 0.263 271 G C 0.141 175.058 174.900 0.027 0.000 1.312 271 G CA -0.493 44.625 45.100 0.030 0.000 0.934 271 G HN 0.557 8.847 8.290 -0.000 0.000 0.577 272 K N -0.596 119.815 120.400 0.019 0.000 2.360 272 K HA -0.058 4.250 4.320 -0.020 0.000 0.201 272 K C 0.695 177.310 176.600 0.026 0.000 1.046 272 K CA 1.226 57.523 56.287 0.016 0.000 0.940 272 K CB -0.038 32.468 32.500 0.010 0.000 0.748 272 K HN 0.343 8.593 8.250 -0.000 0.000 0.465 273 N N -0.632 118.089 118.700 0.035 0.000 2.351 273 N HA 0.140 4.868 4.740 -0.020 0.000 0.254 273 N C -0.185 175.366 175.510 0.069 0.000 1.241 273 N CA 0.140 53.214 53.050 0.039 0.000 0.883 273 N CB 1.784 40.282 38.487 0.019 0.000 1.202 273 N HN 0.220 8.600 8.380 -0.000 0.000 0.512 274 G N -0.354 108.516 108.800 0.117 0.000 2.475 274 G HA2 -0.253 3.695 3.960 -0.020 0.000 0.223 274 G HA3 -0.253 3.695 3.960 -0.020 0.000 0.223 274 G C -0.673 174.360 174.900 0.222 0.000 1.201 274 G CA -0.635 44.608 45.100 0.238 0.000 0.962 274 G HN 0.040 8.330 8.290 -0.000 0.000 0.586 275 V N 1.690 121.728 119.914 0.206 0.000 2.540 275 V HA 0.300 4.408 4.120 -0.020 0.000 0.297 275 V C 1.546 177.688 176.094 0.080 0.000 1.024 275 V CA 1.920 64.315 62.300 0.159 0.000 1.105 275 V CB 1.159 33.015 31.823 0.055 0.000 0.938 275 V HN 0.874 9.064 8.190 -0.000 0.000 0.482 276 E N 3.627 123.875 120.200 0.080 0.000 2.079 276 E HA 0.047 4.386 4.350 -0.020 0.000 0.191 276 E C 0.666 177.290 176.600 0.040 0.000 0.961 276 E CA 0.834 57.262 56.400 0.047 0.000 0.823 276 E CB 0.405 30.131 29.700 0.043 0.000 0.789 276 E HN 0.915 9.275 8.360 -0.000 0.000 0.459 277 E N -0.994 119.238 120.200 0.053 0.000 2.366 277 E HA 0.407 4.745 4.350 -0.020 0.000 0.278 277 E C -1.123 175.516 176.600 0.066 0.000 0.923 277 E CA -0.936 55.492 56.400 0.047 0.000 0.761 277 E CB 1.348 31.070 29.700 0.038 0.000 1.231 277 E HN -0.103 8.257 8.360 -0.000 0.000 0.443 278 R N 2.521 123.057 120.500 0.060 0.000 2.205 278 R HA 0.267 4.596 4.340 -0.020 0.000 0.342 278 R C -0.195 176.155 176.300 0.083 0.000 1.058 278 R CA -0.803 55.347 56.100 0.083 0.000 0.904 278 R CB 0.765 31.108 30.300 0.072 0.000 1.089 278 R HN 0.301 8.571 8.270 -0.000 0.000 0.471 279 K N 1.308 121.764 120.400 0.094 0.000 2.258 279 K HA 0.056 4.365 4.320 -0.020 0.000 0.264 279 K C 0.526 177.188 176.600 0.103 0.000 1.007 279 K CA -0.122 56.217 56.287 0.087 0.000 0.941 279 K CB 1.217 33.766 32.500 0.083 0.000 0.966 279 K HN 0.357 8.607 8.250 -0.000 0.000 0.480 280 S N 1.119 116.873 115.700 0.090 0.000 2.579 280 S HA 0.058 4.516 4.470 -0.020 0.000 0.275 280 S C 1.558 176.231 174.600 0.123 0.000 1.345 280 S CA -0.616 57.647 58.200 0.105 0.000 1.031 280 S CB 0.173 63.422 63.200 0.081 0.000 0.892 280 S HN 0.555 8.865 8.310 -0.000 0.000 0.529 281 I N 1.555 122.216 120.570 0.153 0.000 3.291 281 I HA 0.330 4.488 4.170 -0.020 0.000 0.279 281 I C 1.136 177.318 176.117 0.108 0.000 1.294 281 I CA 0.273 61.660 61.300 0.145 0.000 1.428 281 I CB -1.443 36.662 38.000 0.175 0.000 1.070 281 I HN 0.823 9.033 8.210 -0.000 0.000 0.478 282 G N 1.414 110.273 108.800 0.098 0.000 2.598 282 G HA2 -0.238 3.710 3.960 -0.020 0.000 0.244 282 G HA3 -0.238 3.710 3.960 -0.020 0.000 0.244 282 G C -0.153 174.794 174.900 0.078 0.000 1.302 282 G CA -0.052 45.096 45.100 0.079 0.000 0.903 282 G HN 0.375 8.665 8.290 -0.000 0.000 0.575 283 T N 1.349 115.944 114.554 0.068 0.000 2.856 283 T HA 0.575 4.913 4.350 -0.020 0.000 0.292 283 T C 0.524 175.265 174.700 0.070 0.000 0.980 283 T CA 0.063 62.202 62.100 0.065 0.000 1.091 283 T CB 0.664 69.566 68.868 0.056 0.000 0.936 283 T HN 0.597 8.837 8.240 -0.000 0.000 0.503 284 L N 2.280 123.546 121.223 0.071 0.000 2.342 284 L HA 0.554 4.882 4.340 -0.020 0.000 0.271 284 L C 0.952 177.871 176.870 0.082 0.000 1.008 284 L CA -1.151 53.736 54.840 0.077 0.000 0.818 284 L CB 1.861 43.964 42.059 0.072 0.000 1.296 284 L HN 0.710 8.940 8.230 -0.000 0.000 0.427 285 S N 0.881 116.641 115.700 0.099 0.000 2.617 285 S HA 0.293 4.751 4.470 -0.020 0.000 0.259 285 S C 1.157 175.827 174.600 0.117 0.000 1.301 285 S CA 0.040 58.305 58.200 0.108 0.000 0.984 285 S CB 1.242 64.518 63.200 0.125 0.000 0.954 285 S HN 0.725 9.035 8.310 -0.000 0.000 0.572 286 A N 0.550 123.440 122.820 0.117 0.000 1.902 286 A HA 0.022 4.330 4.320 -0.020 0.000 0.217 286 A C 1.867 179.527 177.584 0.127 0.000 1.181 286 A CA 1.552 53.649 52.037 0.100 0.000 0.623 286 A CB -1.168 17.886 19.000 0.090 0.000 0.818 286 A HN 0.952 9.102 8.150 -0.000 0.000 0.443 287 F N 1.045 121.003 119.950 0.013 0.000 2.186 287 F HA -0.106 4.409 4.527 -0.020 0.000 0.299 287 F C 2.068 177.868 175.800 0.001 0.000 1.090 287 F CA 1.975 59.978 58.000 0.005 0.000 1.307 287 F CB -0.217 38.783 39.000 -0.001 0.000 1.019 287 F HN 0.377 8.677 8.300 -0.000 0.000 0.489 288 E N -0.153 120.222 120.200 0.291 0.000 2.028 288 E HA -0.240 4.098 4.350 -0.020 0.000 0.191 288 E C 2.172 178.790 176.600 0.030 0.000 0.988 288 E CA 1.380 57.883 56.400 0.171 0.000 0.799 288 E CB -0.329 29.469 29.700 0.163 0.000 0.755 288 E HN 0.516 8.876 8.360 -0.000 0.000 0.447 289 Q N 0.673 120.494 119.800 0.035 0.000 2.077 289 Q HA -0.233 4.095 4.340 -0.020 0.000 0.206 289 Q C 2.095 178.077 176.000 -0.029 0.000 0.989 289 Q CA 1.689 57.499 55.803 0.012 0.000 0.853 289 Q CB -0.164 28.592 28.738 0.031 0.000 0.907 289 Q HN 0.116 8.386 8.270 -0.000 0.000 0.418 290 N N 0.062 118.720 118.700 -0.069 0.000 2.084 290 N HA -0.145 4.583 4.740 -0.020 0.000 0.190 290 N C 1.487 176.896 175.510 -0.168 0.000 1.030 290 N CA 1.604 54.582 53.050 -0.120 0.000 0.849 290 N CB -0.290 38.099 38.487 -0.163 0.000 1.012 290 N HN 0.263 8.643 8.380 -0.000 0.000 0.423 291 A N 0.373 123.039 122.820 -0.256 0.000 1.933 291 A HA -0.083 4.225 4.320 -0.020 0.000 0.218 291 A C 2.132 179.657 177.584 -0.098 0.000 1.175 291 A CA 1.157 53.053 52.037 -0.236 0.000 0.628 291 A CB -0.844 17.997 19.000 -0.264 0.000 0.814 291 A HN 0.373 8.523 8.150 -0.000 0.000 0.444 292 L N 0.235 121.422 121.223 -0.061 0.000 1.970 292 L HA -0.175 4.154 4.340 -0.020 0.000 0.212 292 L C 2.221 179.090 176.870 -0.001 0.000 1.071 292 L CA 2.518 57.343 54.840 -0.026 0.000 0.751 292 L CB -1.111 40.909 42.059 -0.065 0.000 0.889 292 L HN 0.550 8.780 8.230 -0.000 0.000 0.432 293 E N -0.813 119.384 120.200 -0.005 0.000 2.058 293 E HA -0.189 4.149 4.350 -0.020 0.000 0.194 293 E C 1.928 178.531 176.600 0.005 0.000 0.997 293 E CA 1.072 57.482 56.400 0.016 0.000 0.801 293 E CB -0.601 29.104 29.700 0.009 0.000 0.746 293 E HN 0.659 9.019 8.360 -0.000 0.000 0.450 294 G N 1.186 109.970 108.800 -0.026 0.000 2.586 294 G HA2 -0.212 3.736 3.960 -0.020 0.000 0.215 294 G HA3 -0.212 3.736 3.960 -0.020 0.000 0.215 294 G C 1.452 176.345 174.900 -0.012 0.000 1.128 294 G CA 0.922 46.005 45.100 -0.029 0.000 0.774 294 G HN 0.290 8.580 8.290 -0.000 0.000 0.543 295 M N -1.384 118.221 119.600 0.008 0.000 2.491 295 M HA 0.386 4.854 4.480 -0.020 0.000 0.259 295 M C 1.761 178.100 176.300 0.064 0.000 1.163 295 M CA 0.271 55.588 55.300 0.028 0.000 1.109 295 M CB -0.023 32.596 32.600 0.032 0.000 1.353 295 M HN -0.044 8.246 8.290 -0.000 0.000 0.500 296 L N 1.002 122.275 121.223 0.083 0.000 2.129 296 L HA -0.207 4.121 4.340 -0.020 0.000 0.212 296 L C 1.510 178.431 176.870 0.085 0.000 1.087 296 L CA 1.580 56.488 54.840 0.112 0.000 0.757 296 L CB -1.242 40.885 42.059 0.113 0.000 0.896 296 L HN 0.385 8.615 8.230 -0.000 0.000 0.434 297 D N -0.320 120.113 120.400 0.054 0.000 2.084 297 D HA -0.133 4.496 4.640 -0.020 0.000 0.196 297 D C 2.194 178.517 176.300 0.039 0.000 0.985 297 D CA 1.535 55.559 54.000 0.039 0.000 0.826 297 D CB -0.097 40.716 40.800 0.022 0.000 0.978 297 D HN 0.144 8.514 8.370 -0.000 0.000 0.456 298 T N 0.840 115.413 114.554 0.032 0.000 2.720 298 T HA -0.119 4.219 4.350 -0.020 0.000 0.268 298 T C 2.050 176.776 174.700 0.043 0.000 1.037 298 T CA 0.473 62.587 62.100 0.022 0.000 1.144 298 T CB -0.346 68.528 68.868 0.009 0.000 0.864 298 T HN 0.111 8.351 8.240 -0.000 0.000 0.444 299 L N 1.278 122.549 121.223 0.080 0.000 1.989 299 L HA -0.185 4.143 4.340 -0.020 0.000 0.211 299 L C 2.776 179.730 176.870 0.140 0.000 1.071 299 L CA 1.706 56.627 54.840 0.133 0.000 0.749 299 L CB -0.382 41.804 42.059 0.212 0.000 0.890 299 L HN 0.412 8.642 8.230 -0.000 0.000 0.431 300 K N -0.357 120.113 120.400 0.117 0.000 2.148 300 K HA -0.251 4.057 4.320 -0.020 0.000 0.204 300 K C 2.021 178.662 176.600 0.069 0.000 1.050 300 K CA 1.320 57.669 56.287 0.103 0.000 0.942 300 K CB -0.252 32.294 32.500 0.076 0.000 0.724 300 K HN 0.194 8.444 8.250 -0.000 0.000 0.446 301 K N 1.323 121.748 120.400 0.041 0.000 2.026 301 K HA -0.149 4.160 4.320 -0.020 0.000 0.208 301 K C 1.692 178.280 176.600 -0.020 0.000 1.048 301 K CA 2.011 58.302 56.287 0.006 0.000 0.929 301 K CB -0.033 32.465 32.500 -0.004 0.000 0.713 301 K HN 0.086 8.336 8.250 -0.000 0.000 0.439 302 D N 0.485 120.879 120.400 -0.011 0.000 2.133 302 D HA -0.186 4.442 4.640 -0.020 0.000 0.195 302 D C 1.800 178.086 176.300 -0.023 0.000 0.997 302 D CA 1.266 55.238 54.000 -0.048 0.000 0.840 302 D CB -0.145 40.646 40.800 -0.014 0.000 0.947 302 D HN 0.284 8.654 8.370 -0.000 0.000 0.452 303 I N 0.762 121.377 120.570 0.075 0.000 2.315 303 I HA -0.210 3.948 4.170 -0.020 0.000 0.248 303 I C 2.416 178.582 176.117 0.082 0.000 1.117 303 I CA 0.847 62.226 61.300 0.132 0.000 1.404 303 I CB -0.159 37.997 38.000 0.260 0.000 1.071 303 I HN -0.069 8.141 8.210 -0.000 0.000 0.419 304 A N 0.820 123.667 122.820 0.046 0.000 1.873 304 A HA -0.205 4.103 4.320 -0.020 0.000 0.215 304 A C 2.253 179.837 177.584 -0.000 0.000 1.186 304 A CA 1.345 53.402 52.037 0.032 0.000 0.616 304 A CB -0.880 18.131 19.000 0.019 0.000 0.823 304 A HN 0.345 8.495 8.150 -0.000 0.000 0.442 305 L N 0.217 121.390 121.223 -0.084 0.000 2.051 305 L HA -0.175 4.154 4.340 -0.020 0.000 0.214 305 L C 2.378 179.168 176.870 -0.133 0.000 1.076 305 L CA 2.448 57.163 54.840 -0.208 0.000 0.758 305 L CB -0.898 40.872 42.059 -0.482 0.000 0.890 305 L HN 0.346 8.576 8.230 -0.000 0.000 0.433 306 G N -2.143 106.607 108.800 -0.084 0.000 2.394 306 G HA2 -0.226 3.723 3.960 -0.020 0.000 0.214 306 G HA3 -0.226 3.723 3.960 -0.020 0.000 0.214 306 G C 1.451 176.449 174.900 0.162 0.000 1.176 306 G CA 0.617 45.755 45.100 0.063 0.000 0.786 306 G HN 0.504 8.794 8.290 -0.000 0.000 0.533 307 Q N 0.025 119.893 119.800 0.114 0.000 2.061 307 Q HA -0.103 4.225 4.340 -0.020 0.000 0.204 307 Q C 2.466 178.537 176.000 0.118 0.000 0.984 307 Q CA 1.456 57.327 55.803 0.113 0.000 0.846 307 Q CB -0.152 28.643 28.738 0.096 0.000 0.902 307 Q HN 0.580 8.850 8.270 -0.000 0.000 0.421 308 E N 0.079 120.348 120.200 0.114 0.000 2.021 308 E HA -0.235 4.103 4.350 -0.020 0.000 0.200 308 E C 1.695 178.377 176.600 0.136 0.000 1.015 308 E CA 1.250 57.714 56.400 0.106 0.000 0.824 308 E CB -0.263 29.501 29.700 0.105 0.000 0.762 308 E HN 0.268 8.628 8.360 -0.000 0.000 0.454 309 F N 0.659 120.693 119.950 0.140 0.000 2.176 309 F HA -0.281 4.234 4.527 -0.020 0.000 0.301 309 F C 1.867 177.723 175.800 0.093 0.000 1.071 309 F CA 1.238 59.345 58.000 0.178 0.000 1.289 309 F CB 0.110 39.316 39.000 0.344 0.000 1.028 309 F HN -0.120 8.180 8.300 -0.000 0.000 0.494 310 V N -0.821 119.170 119.914 0.128 0.000 2.672 310 V HA -0.060 4.048 4.120 -0.020 0.000 0.242 310 V C 0.664 176.743 176.094 -0.024 0.000 1.059 310 V CA 1.170 63.495 62.300 0.040 0.000 1.081 310 V CB -0.406 31.484 31.823 0.112 0.000 0.752 310 V HN 0.134 8.324 8.190 -0.000 0.000 0.472 311 N N 1.640 120.344 118.700 0.007 0.000 2.597 311 N HA 0.201 4.929 4.740 -0.020 0.000 0.269 311 N C -0.131 175.367 175.510 -0.020 0.000 1.204 311 N CA -0.070 52.976 53.050 -0.005 0.000 0.947 311 N CB -0.072 38.424 38.487 0.014 0.000 1.258 311 N HN 0.719 9.099 8.380 -0.000 0.000 0.508 312 K N 0.000 120.366 120.400 -0.056 0.000 2.780 312 K HA 0.000 4.308 4.320 -0.020 0.000 0.191 312 K CA 0.000 56.250 56.287 -0.061 0.000 0.838 312 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 312 K HN 0.000 8.250 8.250 -0.000 0.000 0.543