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 2g08_1_A DATA FIRST_RESID 7 DATA SEQUENCE AVHLKXXPEF QKSSVRIKNP TRVEEIICGL IKGGAAKLQI ITDFDXTLSR DATA SEQUENCE FSYNGKRCPT CHNIIDNCKL VTDECRRKLL QLKEQYYAIE VDPVLTVEEK DATA SEQUENCE FPYXVEWYTK SHGLLIEQGI PKAKLKEIVA DSDVXLKEGY ENFFGKLQQH DATA SEQUENCE GIPVFIFSAG IGDVLEEVIR QAGVYHSNVK VVSNFXDFDE NGVLKGFKGE DATA SEQUENCE LIHVFNKHDG ALKNTDYFSQ LKDNSNIILL GDSQGDLRXA DGVANVEHIL DATA SEQUENCE KIGYLNDRVD ELLEKYXDSY DIVLVKEESL EVVNSILQKT L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 7 A C 0.000 177.355 177.584 -0.382 0.000 1.274 7 A CA 0.000 51.907 52.037 -0.217 0.000 0.836 7 A CB 0.000 18.888 19.000 -0.186 0.000 0.831 8 V N 3.109 122.752 119.914 -0.452 0.000 2.427 8 V HA 0.609 4.729 4.120 -0.001 0.000 0.286 8 V C -0.553 175.185 176.094 -0.594 0.000 1.034 8 V CA -0.478 61.571 62.300 -0.418 0.000 0.893 8 V CB 1.339 33.006 31.823 -0.260 0.000 0.982 8 V HN 0.829 9.019 8.190 -0.000 0.000 0.452 9 H N 5.336 124.331 119.070 -0.125 0.000 2.970 9 H HA 0.377 4.933 4.556 -0.001 0.000 0.315 9 H C 0.556 175.774 175.328 -0.184 0.000 0.992 9 H CA -0.603 55.371 56.048 -0.123 0.000 1.363 9 H CB 1.879 31.595 29.762 -0.077 0.000 1.532 9 H HN 0.507 8.787 8.280 -0.000 0.000 0.514 10 L N 0.825 121.956 121.223 -0.154 0.000 2.191 10 L HA -0.099 4.241 4.340 -0.001 0.000 0.212 10 L C 1.406 178.219 176.870 -0.096 0.000 1.103 10 L CA 1.233 55.879 54.840 -0.323 0.000 0.769 10 L CB -0.196 41.678 42.059 -0.309 0.000 0.908 10 L HN 0.291 8.521 8.230 -0.000 0.000 0.438 15 E N -0.219 120.075 120.200 0.158 0.000 2.160 15 E HA -0.057 4.293 4.350 -0.001 0.000 0.195 15 E C 0.951 177.583 176.600 0.053 0.000 0.991 15 E CA 1.080 57.544 56.400 0.107 0.000 0.810 15 E CB -0.396 29.372 29.700 0.114 0.000 0.742 15 E HN 0.366 8.726 8.360 -0.000 0.000 0.466 16 F N 0.299 120.256 119.950 0.011 0.000 2.797 16 F HA 0.064 4.591 4.527 -0.001 0.000 0.302 16 F C 1.740 177.543 175.800 0.005 0.000 1.130 16 F CA 0.340 58.344 58.000 0.006 0.000 1.387 16 F CB 0.474 39.481 39.000 0.011 0.000 1.107 16 F HN -0.088 8.212 8.300 -0.000 0.000 0.577 17 Q N 0.145 120.038 119.800 0.154 0.000 2.408 17 Q HA 0.043 4.382 4.340 -0.001 0.000 0.205 17 Q C 0.754 176.781 176.000 0.044 0.000 0.919 17 Q CA 0.179 56.036 55.803 0.091 0.000 0.932 17 Q CB -0.068 28.717 28.738 0.078 0.000 1.058 17 Q HN 0.263 8.533 8.270 -0.000 0.000 0.517 18 K N 1.497 121.910 120.400 0.021 0.000 2.485 18 K HA -0.015 4.305 4.320 -0.001 0.000 0.277 18 K C 1.086 177.678 176.600 -0.013 0.000 0.990 18 K CA 0.402 56.687 56.287 -0.004 0.000 0.994 18 K CB 0.584 33.068 32.500 -0.027 0.000 0.906 18 K HN 0.111 8.361 8.250 -0.000 0.000 0.488 19 S N 0.654 116.347 115.700 -0.011 0.000 2.555 19 S HA -0.105 4.364 4.470 -0.001 0.000 0.230 19 S C 1.552 176.136 174.600 -0.027 0.000 0.978 19 S CA 1.066 59.258 58.200 -0.012 0.000 0.934 19 S CB -0.078 63.117 63.200 -0.007 0.000 0.766 19 S HN 0.646 8.956 8.310 -0.000 0.000 0.533 20 S N 0.589 116.264 115.700 -0.042 0.000 2.496 20 S HA 0.163 4.633 4.470 -0.001 0.000 0.224 20 S C 0.529 175.075 174.600 -0.090 0.000 0.996 20 S CA -0.178 57.986 58.200 -0.061 0.000 0.927 20 S CB -0.551 62.613 63.200 -0.059 0.000 0.774 20 S HN 0.293 8.603 8.310 -0.000 0.000 0.524 21 V N 4.393 124.253 119.914 -0.090 0.000 2.397 21 V HA 0.330 4.450 4.120 -0.001 0.000 0.262 21 V C -0.076 175.988 176.094 -0.050 0.000 1.047 21 V CA -0.222 62.012 62.300 -0.110 0.000 1.003 21 V CB -0.276 31.470 31.823 -0.130 0.000 1.037 21 V HN 0.376 8.566 8.190 -0.000 0.000 0.480 22 R N 6.160 126.630 120.500 -0.051 0.000 2.343 22 R HA 0.641 4.981 4.340 -0.001 0.000 0.320 22 R C -0.869 175.442 176.300 0.018 0.000 0.956 22 R CA -0.528 55.567 56.100 -0.009 0.000 0.836 22 R CB 1.621 31.915 30.300 -0.010 0.000 1.151 22 R HN 0.575 8.845 8.270 -0.000 0.000 0.450 23 I N 2.275 122.873 120.570 0.046 0.000 2.468 23 I HA 0.203 4.373 4.170 -0.001 0.000 0.285 23 I C 1.358 177.512 176.117 0.061 0.000 1.039 23 I CA -0.462 60.880 61.300 0.069 0.000 1.074 23 I CB 2.555 40.620 38.000 0.108 0.000 1.228 23 I HN 0.488 8.698 8.210 -0.000 0.000 0.436 24 K N 3.973 124.409 120.400 0.060 0.000 2.057 24 K HA -0.024 4.296 4.320 -0.001 0.000 0.206 24 K C 0.682 177.310 176.600 0.047 0.000 1.050 24 K CA 1.319 57.636 56.287 0.050 0.000 0.935 24 K CB 0.246 32.777 32.500 0.051 0.000 0.715 24 K HN 0.510 8.760 8.250 -0.000 0.000 0.439 25 N N 0.388 119.120 118.700 0.052 0.000 2.844 25 N HA 0.158 4.898 4.740 -0.001 0.000 0.268 25 N C -2.299 173.240 175.510 0.048 0.000 1.574 25 N CA -1.716 51.361 53.050 0.045 0.000 0.838 25 N CB 1.542 40.053 38.487 0.041 0.000 1.177 25 N HN 0.013 8.393 8.380 -0.000 0.000 0.495 26 P HA -0.099 4.321 4.420 -0.000 0.000 0.215 26 P C 1.102 178.415 177.300 0.022 0.000 1.153 26 P CA 1.364 64.491 63.100 0.044 0.000 0.853 26 P CB 0.285 32.011 31.700 0.043 0.000 0.788 27 T N 0.352 114.919 114.554 0.021 0.000 2.746 27 T HA -0.159 4.190 4.350 -0.001 0.000 0.267 27 T C 2.009 176.715 174.700 0.010 0.000 1.039 27 T CA 1.723 63.830 62.100 0.012 0.000 1.142 27 T CB -0.539 68.339 68.868 0.017 0.000 0.866 27 T HN 0.130 8.370 8.240 -0.000 0.000 0.444 28 R N 1.304 121.817 120.500 0.022 0.000 2.080 28 R HA -0.077 4.263 4.340 -0.001 0.000 0.236 28 R C 2.205 178.525 176.300 0.032 0.000 1.137 28 R CA 1.514 57.631 56.100 0.028 0.000 0.943 28 R CB -1.133 29.187 30.300 0.034 0.000 0.846 28 R HN 0.236 8.506 8.270 -0.000 0.000 0.431 29 V N 1.226 121.163 119.914 0.038 0.000 2.332 29 V HA -0.259 3.861 4.120 -0.001 0.000 0.248 29 V C 2.201 178.295 176.094 0.001 0.000 1.055 29 V CA 2.379 64.706 62.300 0.046 0.000 1.038 29 V CB -0.596 31.278 31.823 0.085 0.000 0.651 29 V HN 0.467 8.657 8.190 -0.000 0.000 0.450 30 E N -0.336 119.842 120.200 -0.035 0.000 2.085 30 E HA -0.283 4.066 4.350 -0.001 0.000 0.194 30 E C 2.307 178.859 176.600 -0.081 0.000 0.994 30 E CA 1.500 57.847 56.400 -0.089 0.000 0.801 30 E CB -0.144 29.497 29.700 -0.098 0.000 0.743 30 E HN 0.722 9.082 8.360 -0.000 0.000 0.453 31 E N 0.782 120.958 120.200 -0.041 0.000 2.051 31 E HA -0.215 4.134 4.350 -0.001 0.000 0.192 31 E C 2.069 178.649 176.600 -0.033 0.000 0.991 31 E CA 1.077 57.461 56.400 -0.027 0.000 0.799 31 E CB -0.055 29.652 29.700 0.012 0.000 0.748 31 E HN 0.240 8.600 8.360 -0.000 0.000 0.449 32 I N 0.867 121.441 120.570 0.005 0.000 2.179 32 I HA -0.284 3.886 4.170 -0.001 0.000 0.242 32 I C 2.492 178.556 176.117 -0.088 0.000 1.088 32 I CA 1.030 62.339 61.300 0.016 0.000 1.357 32 I CB -0.289 37.757 38.000 0.078 0.000 1.051 32 I HN 0.189 8.399 8.210 -0.000 0.000 0.409 33 I N 0.208 120.742 120.570 -0.059 0.000 2.264 33 I HA -0.367 3.803 4.170 -0.001 0.000 0.248 33 I C 2.870 178.908 176.117 -0.132 0.000 1.111 33 I CA 1.140 62.397 61.300 -0.073 0.000 1.382 33 I CB -0.486 37.476 38.000 -0.064 0.000 1.060 33 I HN 0.481 8.691 8.210 -0.000 0.000 0.418 34 C N 1.363 120.572 119.300 -0.152 0.000 2.413 34 C HA -0.136 4.324 4.460 -0.001 0.000 0.277 34 C C 2.951 177.800 174.990 -0.236 0.000 1.265 34 C CA 1.373 60.291 59.018 -0.167 0.000 1.752 34 C CB -1.602 26.053 27.740 -0.141 0.000 1.998 34 C HN 0.643 8.873 8.230 -0.000 0.000 0.489 35 G N 0.051 108.589 108.800 -0.436 0.000 2.403 35 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.216 35 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.216 35 G C 1.623 176.230 174.900 -0.490 0.000 1.154 35 G CA 0.792 45.384 45.100 -0.847 0.000 0.784 35 G HN 0.573 8.863 8.290 -0.000 0.000 0.538 36 L N 0.064 121.096 121.223 -0.320 0.000 2.012 36 L HA -0.093 4.247 4.340 -0.001 0.000 0.210 36 L C 2.869 179.686 176.870 -0.090 0.000 1.073 36 L CA 0.970 55.737 54.840 -0.121 0.000 0.748 36 L CB -0.410 41.617 42.059 -0.052 0.000 0.891 36 L HN 0.203 8.433 8.230 -0.000 0.000 0.431 37 I N -0.261 120.246 120.570 -0.103 0.000 2.179 37 I HA -0.314 3.856 4.170 -0.001 0.000 0.242 37 I C 2.602 178.678 176.117 -0.069 0.000 1.088 37 I CA 1.420 62.673 61.300 -0.079 0.000 1.357 37 I CB -0.260 37.690 38.000 -0.084 0.000 1.051 37 I HN 0.194 8.404 8.210 -0.000 0.000 0.409 38 K N 0.616 120.965 120.400 -0.085 0.000 2.044 38 K HA -0.178 4.142 4.320 -0.001 0.000 0.210 38 K C 2.115 178.698 176.600 -0.028 0.000 1.049 38 K CA 1.700 57.955 56.287 -0.055 0.000 0.927 38 K CB -0.568 31.898 32.500 -0.058 0.000 0.713 38 K HN 0.473 8.723 8.250 -0.000 0.000 0.443 39 G N 0.271 109.057 108.800 -0.024 0.000 2.422 39 G HA2 0.083 4.042 3.960 -0.001 0.000 0.218 39 G HA3 0.083 4.042 3.960 -0.001 0.000 0.218 39 G C 0.758 175.658 174.900 0.000 0.000 1.140 39 G CA 0.627 45.732 45.100 0.007 0.000 0.775 39 G HN 0.581 8.871 8.290 -0.000 0.000 0.545 40 G N -0.483 108.307 108.800 -0.017 0.000 2.601 40 G HA2 0.110 4.070 3.960 -0.001 0.000 0.252 40 G HA3 0.110 4.070 3.960 -0.001 0.000 0.252 40 G C 1.281 176.171 174.900 -0.016 0.000 1.294 40 G CA 1.097 46.182 45.100 -0.024 0.000 0.912 40 G HN 1.238 9.528 8.290 -0.000 0.000 0.574 41 A N -0.763 122.046 122.820 -0.017 0.000 1.883 41 A HA 0.207 4.526 4.320 -0.001 0.000 0.217 41 A C 3.127 180.728 177.584 0.028 0.000 1.186 41 A CA 3.956 55.996 52.037 0.006 0.000 0.624 41 A CB -1.235 17.796 19.000 0.052 0.000 0.822 41 A HN 2.511 10.661 8.150 -0.000 0.000 0.444 42 A N -0.766 122.071 122.820 0.028 0.000 1.997 42 A HA -0.216 4.104 4.320 -0.001 0.000 0.221 42 A C 2.015 179.616 177.584 0.027 0.000 1.172 42 A CA 2.058 54.111 52.037 0.027 0.000 0.645 42 A CB -0.355 18.658 19.000 0.022 0.000 0.813 42 A HN 0.565 8.715 8.150 -0.000 0.000 0.454 43 K N -1.911 118.508 120.400 0.031 0.000 2.358 43 K HA 0.293 4.613 4.320 -0.001 0.000 0.200 43 K C -0.527 176.104 176.600 0.052 0.000 1.030 43 K CA -0.360 55.952 56.287 0.041 0.000 1.097 43 K CB 0.273 32.802 32.500 0.049 0.000 0.862 43 K HN 0.365 8.615 8.250 -0.000 0.000 0.534 44 L N 2.192 123.443 121.223 0.048 0.000 2.325 44 L HA 0.214 4.554 4.340 -0.001 0.000 0.279 44 L C -0.735 176.183 176.870 0.079 0.000 1.054 44 L CA 0.012 54.889 54.840 0.061 0.000 0.804 44 L CB 1.127 43.211 42.059 0.040 0.000 1.200 44 L HN 0.105 8.335 8.230 -0.000 0.000 0.436 45 Q N 4.340 124.206 119.800 0.111 0.000 2.456 45 Q HA 0.614 4.954 4.340 -0.001 0.000 0.284 45 Q C -1.782 174.333 176.000 0.192 0.000 1.061 45 Q CA -0.983 54.913 55.803 0.155 0.000 0.799 45 Q CB 2.180 31.027 28.738 0.183 0.000 1.445 45 Q HN 0.455 8.725 8.270 -0.000 0.000 0.411 46 I N 2.204 122.914 120.570 0.234 0.000 2.441 46 I HA 0.517 4.686 4.170 -0.001 0.000 0.295 46 I C -0.423 175.915 176.117 0.369 0.000 0.994 46 I CA -0.955 60.506 61.300 0.269 0.000 1.144 46 I CB 1.384 39.523 38.000 0.231 0.000 1.314 46 I HN 0.707 8.917 8.210 -0.000 0.000 0.445 47 I N 3.932 124.728 120.570 0.377 0.000 2.447 47 I HA 0.384 4.553 4.170 -0.001 0.000 0.287 47 I C -0.247 176.113 176.117 0.406 0.000 1.023 47 I CA -0.180 61.403 61.300 0.472 0.000 1.083 47 I CB 2.344 40.611 38.000 0.444 0.000 1.245 47 I HN 0.515 8.725 8.210 -0.000 0.000 0.434 48 T N 3.679 118.485 114.554 0.419 0.000 2.993 48 T HA 0.225 4.575 4.350 -0.001 0.000 0.312 48 T C -1.038 173.838 174.700 0.293 0.000 1.115 48 T CA -0.544 61.750 62.100 0.322 0.000 1.027 48 T CB 1.566 70.612 68.868 0.296 0.000 1.116 48 T HN 0.659 8.899 8.240 -0.000 0.000 0.464 49 D N 2.016 122.549 120.400 0.223 0.000 2.360 49 D HA 0.285 4.924 4.640 -0.001 0.000 0.242 49 D C 0.420 176.826 176.300 0.177 0.000 1.184 49 D CA -0.160 53.943 54.000 0.171 0.000 0.930 49 D CB 0.472 41.340 40.800 0.114 0.000 1.161 49 D HN 0.349 8.719 8.370 -0.000 0.000 0.447 50 F N 0.614 120.576 119.950 0.020 0.000 2.394 50 F HA 0.190 4.717 4.527 -0.001 0.000 0.269 50 F C 0.919 176.695 175.800 -0.040 0.000 1.012 50 F CA 0.255 58.250 58.000 -0.008 0.000 1.138 50 F CB -0.308 38.674 39.000 -0.029 0.000 1.140 50 F HN 0.279 8.579 8.300 -0.000 0.000 0.623 54 L N 2.285 123.196 121.223 -0.519 0.000 2.307 54 L HA 0.293 4.633 4.340 -0.001 0.000 0.211 54 L C 1.329 177.869 176.870 -0.550 0.000 1.099 54 L CA 0.602 55.142 54.840 -0.499 0.000 0.816 54 L CB -0.046 41.805 42.059 -0.346 0.000 0.952 54 L HN 0.344 8.574 8.230 -0.000 0.000 0.455 55 S N -0.216 115.050 115.700 -0.722 0.000 2.672 55 S HA 0.430 4.899 4.470 -0.001 0.000 0.276 55 S C 0.099 174.488 174.600 -0.351 0.000 1.207 55 S CA -0.842 57.041 58.200 -0.529 0.000 1.002 55 S CB 1.438 64.295 63.200 -0.572 0.000 0.998 55 S HN 0.093 8.403 8.310 -0.000 0.000 0.542 56 R N 0.028 120.382 120.500 -0.243 0.000 2.490 56 R HA 0.292 4.631 4.340 -0.001 0.000 0.278 56 R C 0.350 176.609 176.300 -0.069 0.000 1.069 56 R CA -0.340 55.676 56.100 -0.140 0.000 1.080 56 R CB 0.330 30.569 30.300 -0.102 0.000 1.030 56 R HN 0.797 9.067 8.270 -0.000 0.000 0.491 57 F N 0.938 120.809 119.950 -0.132 0.000 2.335 57 F HA 0.001 4.528 4.527 -0.001 0.000 0.296 57 F C 0.382 176.156 175.800 -0.042 0.000 1.091 57 F CA 0.533 58.482 58.000 -0.085 0.000 1.399 57 F CB 0.528 39.486 39.000 -0.071 0.000 1.067 57 F HN 0.474 8.774 8.300 -0.000 0.000 0.520 58 S N -1.458 114.312 115.700 0.116 0.000 2.533 58 S HA 0.389 4.858 4.470 -0.001 0.000 0.271 58 S C -1.072 173.636 174.600 0.181 0.000 1.143 58 S CA -0.761 57.484 58.200 0.075 0.000 0.891 58 S CB 1.713 65.005 63.200 0.154 0.000 1.105 58 S HN 0.187 8.497 8.310 -0.000 0.000 0.468 59 Y N 2.023 122.304 120.300 -0.030 0.000 3.263 59 Y HA 0.471 5.021 4.550 -0.001 0.000 0.347 59 Y C 0.503 176.397 175.900 -0.009 0.000 1.338 59 Y CA -1.273 56.818 58.100 -0.016 0.000 0.884 59 Y CB -0.300 38.145 38.460 -0.024 0.000 1.199 59 Y HN 0.757 9.037 8.280 -0.000 0.000 0.852 60 N N 1.360 119.918 118.700 -0.237 0.000 2.891 60 N HA 0.151 4.891 4.740 -0.001 0.000 0.327 60 N C 0.430 175.881 175.510 -0.098 0.000 1.190 60 N CA 1.214 54.109 53.050 -0.259 0.000 1.160 60 N CB -0.968 37.376 38.487 -0.238 0.000 1.404 60 N HN 0.801 9.181 8.380 -0.000 0.000 0.553 61 G N -0.548 108.216 108.800 -0.059 0.000 2.179 61 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.257 61 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.257 61 G C 0.108 175.001 174.900 -0.010 0.000 1.010 61 G CA 0.179 45.266 45.100 -0.022 0.000 0.736 61 G HN 0.343 8.633 8.290 -0.000 0.000 0.513 62 K N -0.330 120.071 120.400 0.002 0.000 2.371 62 K HA 0.570 4.889 4.320 -0.001 0.000 0.251 62 K C 0.038 176.615 176.600 -0.039 0.000 0.934 62 K CA -1.273 55.009 56.287 -0.009 0.000 0.798 62 K CB 1.266 33.775 32.500 0.014 0.000 1.204 62 K HN 0.236 8.486 8.250 -0.000 0.000 0.427 63 R N 2.060 122.495 120.500 -0.108 0.000 2.221 63 R HA 0.305 4.645 4.340 -0.001 0.000 0.327 63 R C -0.556 175.620 176.300 -0.207 0.000 1.033 63 R CA -0.349 55.605 56.100 -0.243 0.000 0.887 63 R CB 0.338 30.461 30.300 -0.294 0.000 1.057 63 R HN 0.603 8.873 8.270 -0.000 0.000 0.455 64 C N 5.692 124.849 119.300 -0.238 0.000 2.534 64 C HA 0.404 4.864 4.460 -0.001 0.000 0.385 64 C C -1.728 173.154 174.990 -0.180 0.000 1.264 64 C CA -1.089 57.828 59.018 -0.168 0.000 2.342 64 C CB 0.658 28.310 27.740 -0.147 0.000 2.564 64 C HN 0.649 8.879 8.230 -0.000 0.000 0.603 65 P HA 0.251 4.671 4.420 -0.000 0.000 0.282 65 P C -0.261 176.999 177.300 -0.067 0.000 1.249 65 P CA 0.120 63.166 63.100 -0.090 0.000 0.806 65 P CB 0.689 32.353 31.700 -0.059 0.000 0.984 66 T N -1.001 113.525 114.554 -0.046 0.000 2.828 66 T HA 0.085 4.435 4.350 -0.001 0.000 0.290 66 T C 1.445 176.163 174.700 0.031 0.000 1.019 66 T CA -0.398 61.704 62.100 0.003 0.000 1.031 66 T CB -0.285 68.578 68.868 -0.010 0.000 1.001 66 T HN 0.450 8.690 8.240 -0.000 0.000 0.531 67 C N 0.707 120.046 119.300 0.064 0.000 2.391 67 C HA -0.126 4.333 4.460 -0.001 0.000 0.276 67 C C 2.583 177.570 174.990 -0.005 0.000 1.217 67 C CA 1.147 60.172 59.018 0.010 0.000 1.766 67 C CB -1.894 25.823 27.740 -0.039 0.000 2.046 67 C HN 0.998 9.228 8.230 -0.000 0.000 0.475 68 H N 0.876 119.905 119.070 -0.068 0.000 2.357 68 H HA -0.072 4.484 4.556 -0.001 0.000 0.301 68 H C 1.959 177.250 175.328 -0.063 0.000 1.082 68 H CA 1.795 57.796 56.048 -0.079 0.000 1.342 68 H CB -0.492 29.175 29.762 -0.159 0.000 1.389 68 H HN 0.621 8.901 8.280 -0.000 0.000 0.511 69 N N 0.033 118.789 118.700 0.093 0.000 2.223 69 N HA -0.112 4.627 4.740 -0.001 0.000 0.185 69 N C 2.095 177.611 175.510 0.009 0.000 1.016 69 N CA 0.860 53.934 53.050 0.041 0.000 0.863 69 N CB 0.084 38.564 38.487 -0.012 0.000 0.983 69 N HN 0.297 8.677 8.380 -0.000 0.000 0.429 70 I N 0.941 121.505 120.570 -0.009 0.000 2.208 70 I HA -0.259 3.911 4.170 -0.001 0.000 0.245 70 I C 1.727 177.827 176.117 -0.029 0.000 1.097 70 I CA 0.891 62.176 61.300 -0.025 0.000 1.363 70 I CB -0.192 37.787 38.000 -0.035 0.000 1.051 70 I HN 0.181 8.391 8.210 -0.000 0.000 0.413 71 I N 0.234 120.777 120.570 -0.045 0.000 2.333 71 I HA -0.185 3.985 4.170 -0.001 0.000 0.246 71 I C 2.115 178.221 176.117 -0.018 0.000 1.106 71 I CA 1.288 62.558 61.300 -0.050 0.000 1.411 71 I CB -1.532 36.404 38.000 -0.107 0.000 1.082 71 I HN 0.200 8.410 8.210 -0.000 0.000 0.420 72 D N 1.586 121.993 120.400 0.012 0.000 2.149 72 D HA -0.205 4.434 4.640 -0.001 0.000 0.194 72 D C 1.716 178.031 176.300 0.024 0.000 1.001 72 D CA 1.346 55.376 54.000 0.050 0.000 0.849 72 D CB -0.345 40.511 40.800 0.094 0.000 0.939 72 D HN 0.321 8.691 8.370 -0.000 0.000 0.449 73 N N -0.061 118.645 118.700 0.009 0.000 2.424 73 N HA -0.009 4.731 4.740 -0.001 0.000 0.178 73 N C 0.809 176.317 175.510 -0.004 0.000 1.060 73 N CA 0.082 53.132 53.050 0.000 0.000 0.901 73 N CB -0.168 38.314 38.487 -0.009 0.000 0.979 73 N HN 0.367 8.747 8.380 -0.000 0.000 0.451 74 C N 1.747 121.043 119.300 -0.006 0.000 2.639 74 C HA 0.220 4.680 4.460 -0.001 0.000 0.360 74 C C 2.009 176.997 174.990 -0.004 0.000 1.351 74 C CA -0.884 58.129 59.018 -0.008 0.000 2.408 74 C CB 0.670 28.402 27.740 -0.013 0.000 2.517 74 C HN 0.472 8.702 8.230 -0.000 0.000 0.696 75 K N 0.301 120.698 120.400 -0.005 0.000 2.365 75 K HA -0.015 4.305 4.320 -0.001 0.000 0.199 75 K C 1.070 177.670 176.600 -0.000 0.000 1.045 75 K CA 1.025 57.310 56.287 -0.003 0.000 0.962 75 K CB -0.340 32.158 32.500 -0.004 0.000 0.759 75 K HN 0.597 8.847 8.250 -0.000 0.000 0.469 76 L N 1.471 122.693 121.223 -0.000 0.000 2.599 76 L HA 0.094 4.433 4.340 -0.001 0.000 0.230 76 L C 0.103 176.978 176.870 0.007 0.000 1.141 76 L CA 0.457 55.299 54.840 0.003 0.000 0.877 76 L CB 0.552 42.611 42.059 0.001 0.000 1.009 76 L HN -0.030 8.200 8.230 -0.000 0.000 0.447 77 V N -0.749 119.170 119.914 0.009 0.000 2.487 77 V HA 0.332 4.451 4.120 -0.001 0.000 0.298 77 V C 0.449 176.553 176.094 0.016 0.000 1.028 77 V CA -0.886 61.423 62.300 0.015 0.000 0.860 77 V CB 1.754 33.588 31.823 0.018 0.000 0.991 77 V HN 0.316 8.506 8.190 -0.000 0.000 0.427 78 T N 0.325 114.890 114.554 0.018 0.000 2.802 78 T HA 0.064 4.413 4.350 -0.001 0.000 0.305 78 T C 0.780 175.490 174.700 0.018 0.000 1.053 78 T CA -0.141 61.969 62.100 0.017 0.000 1.058 78 T CB 0.591 69.469 68.868 0.018 0.000 0.988 78 T HN 0.597 8.837 8.240 -0.000 0.000 0.539 79 D N 0.074 120.483 120.400 0.014 0.000 2.178 79 D HA -0.042 4.598 4.640 -0.001 0.000 0.201 79 D C 1.950 178.259 176.300 0.016 0.000 0.980 79 D CA 1.263 55.271 54.000 0.013 0.000 0.842 79 D CB -0.196 40.609 40.800 0.008 0.000 0.948 79 D HN 0.881 9.251 8.370 -0.000 0.000 0.472 80 E N -0.114 120.097 120.200 0.018 0.000 2.107 80 E HA -0.125 4.225 4.350 -0.001 0.000 0.191 80 E C 1.886 178.503 176.600 0.028 0.000 0.982 80 E CA 0.811 57.223 56.400 0.020 0.000 0.809 80 E CB -0.587 29.124 29.700 0.019 0.000 0.756 80 E HN 0.256 8.616 8.360 -0.000 0.000 0.459 81 C N 0.411 119.730 119.300 0.032 0.000 2.446 81 C HA 0.086 4.545 4.460 -0.001 0.000 0.277 81 C C 2.625 177.644 174.990 0.049 0.000 1.275 81 C CA 0.995 60.039 59.018 0.044 0.000 1.727 81 C CB -0.984 26.783 27.740 0.045 0.000 2.010 81 C HN 0.442 8.672 8.230 -0.000 0.000 0.486 82 R N -0.125 120.398 120.500 0.039 0.000 2.152 82 R HA -0.084 4.255 4.340 -0.001 0.000 0.232 82 R C 2.589 178.908 176.300 0.032 0.000 1.117 82 R CA 1.064 57.186 56.100 0.037 0.000 0.981 82 R CB -0.372 29.944 30.300 0.026 0.000 0.870 82 R HN 0.574 8.844 8.270 -0.000 0.000 0.451 83 R N 1.015 121.531 120.500 0.027 0.000 2.073 83 R HA -0.107 4.233 4.340 -0.001 0.000 0.229 83 R C 1.705 178.022 176.300 0.028 0.000 1.120 83 R CA 1.438 57.550 56.100 0.021 0.000 0.967 83 R CB 0.131 30.440 30.300 0.015 0.000 0.862 83 R HN 0.090 8.360 8.270 -0.000 0.000 0.436 84 K N 0.309 120.732 120.400 0.039 0.000 2.002 84 K HA -0.121 4.199 4.320 -0.001 0.000 0.209 84 K C 2.156 178.797 176.600 0.070 0.000 1.048 84 K CA 1.423 57.740 56.287 0.052 0.000 0.930 84 K CB -0.209 32.328 32.500 0.060 0.000 0.714 84 K HN 0.128 8.378 8.250 -0.000 0.000 0.438 85 L N 1.051 122.323 121.223 0.082 0.000 2.012 85 L HA -0.235 4.105 4.340 -0.001 0.000 0.210 85 L C 2.418 179.343 176.870 0.092 0.000 1.073 85 L CA 1.185 56.090 54.840 0.108 0.000 0.748 85 L CB -0.506 41.618 42.059 0.109 0.000 0.891 85 L HN 0.189 8.419 8.230 -0.000 0.000 0.431 86 L N -0.841 120.413 121.223 0.051 0.000 2.012 86 L HA -0.285 4.055 4.340 -0.001 0.000 0.210 86 L C 2.854 179.725 176.870 0.002 0.000 1.073 86 L CA 1.490 56.344 54.840 0.022 0.000 0.748 86 L CB -0.452 41.610 42.059 0.006 0.000 0.891 86 L HN 0.370 8.600 8.230 -0.000 0.000 0.431 87 Q N -0.401 119.401 119.800 0.003 0.000 2.061 87 Q HA -0.231 4.108 4.340 -0.001 0.000 0.204 87 Q C 2.371 178.342 176.000 -0.048 0.000 0.984 87 Q CA 1.413 57.202 55.803 -0.023 0.000 0.846 87 Q CB -0.254 28.477 28.738 -0.012 0.000 0.902 87 Q HN 0.518 8.788 8.270 -0.000 0.000 0.421 88 L N 0.862 122.091 121.223 0.009 0.000 2.021 88 L HA -0.277 4.063 4.340 -0.001 0.000 0.215 88 L C 2.668 179.400 176.870 -0.230 0.000 1.074 88 L CA 1.468 56.323 54.840 0.024 0.000 0.760 88 L CB -0.583 41.597 42.059 0.201 0.000 0.889 88 L HN 0.244 8.474 8.230 -0.000 0.000 0.433 89 K N 0.177 120.498 120.400 -0.132 0.000 2.057 89 K HA -0.199 4.120 4.320 -0.001 0.000 0.207 89 K C 1.931 178.371 176.600 -0.267 0.000 1.049 89 K CA 1.585 57.740 56.287 -0.220 0.000 0.931 89 K CB 0.005 32.547 32.500 0.069 0.000 0.714 89 K HN 0.435 8.685 8.250 -0.000 0.000 0.440 90 E N 0.212 120.317 120.200 -0.159 0.000 2.077 90 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 90 E C 2.213 178.710 176.600 -0.173 0.000 0.989 90 E CA 1.177 57.505 56.400 -0.120 0.000 0.800 90 E CB 0.015 29.664 29.700 -0.086 0.000 0.746 90 E HN 0.408 8.768 8.360 -0.000 0.000 0.452 91 Q N -0.382 119.259 119.800 -0.264 0.000 2.049 91 Q HA -0.121 4.218 4.340 -0.001 0.000 0.198 91 Q C 1.652 177.371 176.000 -0.469 0.000 0.971 91 Q CA 1.228 56.809 55.803 -0.369 0.000 0.833 91 Q CB -0.041 28.409 28.738 -0.481 0.000 0.896 91 Q HN 0.338 8.608 8.270 -0.000 0.000 0.434 92 Y N -1.644 118.341 120.300 -0.526 0.000 2.490 92 Y HA -0.087 4.462 4.550 -0.001 0.000 0.285 92 Y C 1.803 177.331 175.900 -0.620 0.000 1.117 92 Y CA 0.322 58.039 58.100 -0.639 0.000 1.262 92 Y CB 0.014 37.864 38.460 -1.016 0.000 1.043 92 Y HN 0.172 8.452 8.280 -0.000 0.000 0.553 93 Y N 0.171 120.103 120.300 -0.612 0.000 2.314 93 Y HA -0.051 4.498 4.550 -0.001 0.000 0.293 93 Y C 2.352 178.177 175.900 -0.125 0.000 1.129 93 Y CA 0.887 58.818 58.100 -0.281 0.000 1.201 93 Y CB -0.347 38.011 38.460 -0.170 0.000 0.999 93 Y HN 0.029 8.309 8.280 -0.000 0.000 0.541 94 A N 0.403 123.155 122.820 -0.113 0.000 1.978 94 A HA -0.171 4.149 4.320 -0.001 0.000 0.220 94 A C 2.082 179.543 177.584 -0.205 0.000 1.170 94 A CA 1.824 53.776 52.037 -0.143 0.000 0.636 94 A CB -0.794 18.138 19.000 -0.114 0.000 0.810 94 A HN 0.491 8.641 8.150 -0.000 0.000 0.448 95 I N -0.586 119.847 120.570 -0.229 0.000 2.206 95 I HA -0.160 4.009 4.170 -0.001 0.000 0.239 95 I C 2.364 178.387 176.117 -0.157 0.000 1.078 95 I CA 1.541 62.678 61.300 -0.272 0.000 1.367 95 I CB -1.530 36.239 38.000 -0.385 0.000 1.078 95 I HN 0.566 8.776 8.210 -0.000 0.000 0.413 96 E N 0.889 121.059 120.200 -0.051 0.000 2.136 96 E HA -0.258 4.092 4.350 -0.001 0.000 0.208 96 E C 1.770 178.359 176.600 -0.019 0.000 1.035 96 E CA 2.739 59.183 56.400 0.074 0.000 0.838 96 E CB 0.084 29.809 29.700 0.042 0.000 0.748 96 E HN 0.397 8.757 8.360 -0.000 0.000 0.459 97 V N -1.718 118.048 119.914 -0.247 0.000 3.621 97 V HA 0.146 4.265 4.120 -0.001 0.000 0.285 97 V C 0.452 176.475 176.094 -0.119 0.000 1.346 97 V CA -0.068 62.108 62.300 -0.206 0.000 1.104 97 V CB 0.199 31.796 31.823 -0.376 0.000 0.913 97 V HN 0.030 8.220 8.190 -0.000 0.000 0.432 98 D N 3.447 123.775 120.400 -0.120 0.000 2.472 98 D HA 0.112 4.752 4.640 -0.001 0.000 0.248 98 D C -1.187 175.074 176.300 -0.065 0.000 1.174 98 D CA -0.889 53.052 54.000 -0.099 0.000 0.883 98 D CB 2.067 42.788 40.800 -0.131 0.000 1.149 98 D HN 0.292 8.662 8.370 -0.000 0.000 0.488 99 P HA -0.063 4.357 4.420 -0.000 0.000 0.231 99 P C 1.328 178.609 177.300 -0.032 0.000 1.168 99 P CA 0.087 63.169 63.100 -0.030 0.000 0.779 99 P CB 0.616 32.305 31.700 -0.019 0.000 0.844 100 V N -0.695 119.195 119.914 -0.039 0.000 2.878 100 V HA 0.023 4.143 4.120 -0.001 0.000 0.250 100 V C 0.951 177.023 176.094 -0.036 0.000 1.075 100 V CA 0.554 62.834 62.300 -0.033 0.000 1.096 100 V CB -0.467 31.337 31.823 -0.030 0.000 0.724 100 V HN -0.090 8.100 8.190 -0.000 0.000 0.467 101 L N 1.610 122.802 121.223 -0.050 0.000 2.349 101 L HA 0.301 4.640 4.340 -0.001 0.000 0.275 101 L C 0.910 177.746 176.870 -0.057 0.000 1.115 101 L CA 0.705 55.516 54.840 -0.048 0.000 0.820 101 L CB 0.930 42.946 42.059 -0.073 0.000 1.135 101 L HN 0.394 8.624 8.230 -0.000 0.000 0.445 102 T N -0.145 114.383 114.554 -0.043 0.000 2.918 102 T HA 0.210 4.559 4.350 -0.001 0.000 0.302 102 T C 1.510 176.149 174.700 -0.102 0.000 1.045 102 T CA -0.736 61.327 62.100 -0.062 0.000 1.114 102 T CB 0.683 69.526 68.868 -0.042 0.000 0.965 102 T HN 0.272 8.512 8.240 -0.000 0.000 0.540 103 V N 2.654 122.463 119.914 -0.175 0.000 2.317 103 V HA -0.227 3.893 4.120 -0.001 0.000 0.251 103 V C 2.654 178.701 176.094 -0.077 0.000 1.065 103 V CA 2.421 64.509 62.300 -0.355 0.000 1.049 103 V CB -1.127 30.500 31.823 -0.327 0.000 0.651 103 V HN 0.928 9.118 8.190 -0.000 0.000 0.450 104 E N 0.199 120.407 120.200 0.014 0.000 2.051 104 E HA -0.228 4.122 4.350 -0.001 0.000 0.192 104 E C 2.136 178.808 176.600 0.120 0.000 0.991 104 E CA 1.458 57.873 56.400 0.025 0.000 0.799 104 E CB -0.374 29.260 29.700 -0.110 0.000 0.748 104 E HN 0.672 9.032 8.360 -0.000 0.000 0.449 105 E N 0.581 120.834 120.200 0.087 0.000 2.267 105 E HA -0.191 4.159 4.350 -0.001 0.000 0.197 105 E C 1.599 178.384 176.600 0.309 0.000 0.998 105 E CA 0.961 57.457 56.400 0.159 0.000 0.830 105 E CB -0.038 29.728 29.700 0.111 0.000 0.751 105 E HN 0.210 8.570 8.360 -0.000 0.000 0.491 106 K N -0.434 120.123 120.400 0.262 0.000 2.314 106 K HA 0.002 4.322 4.320 -0.001 0.000 0.198 106 K C 1.538 178.428 176.600 0.484 0.000 1.045 106 K CA 0.125 56.624 56.287 0.354 0.000 0.988 106 K CB 0.019 32.618 32.500 0.166 0.000 0.783 106 K HN -0.002 8.248 8.250 -0.000 0.000 0.484 107 F N 2.394 122.491 119.950 0.245 0.000 2.048 107 F HA -0.256 4.271 4.527 -0.001 0.000 0.296 107 F C -0.642 175.209 175.800 0.084 0.000 1.109 107 F CA 1.813 59.939 58.000 0.211 0.000 1.214 107 F CB -1.424 37.688 39.000 0.187 0.000 0.963 107 F HN 0.088 8.388 8.300 -0.000 0.000 0.491 108 P HA -0.174 4.246 4.420 -0.000 0.000 0.218 108 P C 0.429 177.760 177.300 0.051 0.000 1.149 108 P CA 1.311 64.473 63.100 0.102 0.000 0.817 108 P CB -0.292 31.415 31.700 0.011 0.000 0.785 112 E N -0.043 120.086 120.200 -0.118 0.000 2.058 112 E HA -0.270 4.079 4.350 -0.001 0.000 0.194 112 E C 1.775 178.217 176.600 -0.263 0.000 0.997 112 E CA 2.208 58.525 56.400 -0.139 0.000 0.801 112 E CB -0.097 29.560 29.700 -0.072 0.000 0.746 112 E HN 0.670 9.030 8.360 -0.000 0.000 0.450 113 W N 1.080 121.898 121.300 -0.804 0.000 2.332 113 W HA -0.250 4.410 4.660 -0.001 0.000 0.321 113 W C 1.843 178.122 176.519 -0.401 0.000 1.219 113 W CA 1.482 58.343 57.345 -0.807 0.000 1.277 113 W CB -1.091 27.912 29.460 -0.761 0.000 1.161 113 W HN 0.115 8.295 8.180 -0.000 0.000 0.476 114 Y N 0.578 120.571 120.300 -0.511 0.000 2.207 114 Y HA -0.229 4.321 4.550 -0.001 0.000 0.287 114 Y C 2.797 178.283 175.900 -0.689 0.000 1.156 114 Y CA 2.486 60.117 58.100 -0.781 0.000 1.182 114 Y CB -1.271 36.756 38.460 -0.722 0.000 0.979 114 Y HN -0.133 8.147 8.280 -0.000 0.000 0.521 115 T N -0.357 114.088 114.554 -0.182 0.000 2.857 115 T HA -0.129 4.221 4.350 -0.001 0.000 0.266 115 T C 1.811 176.505 174.700 -0.009 0.000 1.048 115 T CA 1.359 63.418 62.100 -0.069 0.000 1.139 115 T CB -0.097 68.761 68.868 -0.016 0.000 0.874 115 T HN 0.288 8.528 8.240 -0.000 0.000 0.455 116 K N 1.366 121.762 120.400 -0.006 0.000 2.025 116 K HA -0.057 4.262 4.320 -0.001 0.000 0.207 116 K C 2.853 179.501 176.600 0.079 0.000 1.049 116 K CA 1.584 57.908 56.287 0.063 0.000 0.933 116 K CB -0.224 32.342 32.500 0.110 0.000 0.714 116 K HN 0.373 8.623 8.250 -0.000 0.000 0.438 117 S N 0.485 116.206 115.700 0.034 0.000 2.371 117 S HA -0.167 4.303 4.470 -0.001 0.000 0.224 117 S C 1.819 176.535 174.600 0.194 0.000 1.029 117 S CA 0.976 59.222 58.200 0.076 0.000 0.978 117 S CB -0.627 62.514 63.200 -0.099 0.000 0.833 117 S HN 0.384 8.694 8.310 -0.000 0.000 0.466 118 H N 0.816 119.918 119.070 0.053 0.000 2.387 118 H HA 0.007 4.562 4.556 -0.001 0.000 0.299 118 H C 2.467 177.859 175.328 0.106 0.000 1.099 118 H CA 0.674 56.733 56.048 0.018 0.000 1.315 118 H CB -0.456 29.169 29.762 -0.228 0.000 1.380 118 H HN 0.609 8.889 8.280 -0.000 0.000 0.513 119 G N 0.432 109.355 108.800 0.205 0.000 2.421 119 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.217 119 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.217 119 G C 1.614 176.588 174.900 0.124 0.000 1.143 119 G CA 0.319 45.510 45.100 0.151 0.000 0.784 119 G HN 0.222 8.512 8.290 -0.000 0.000 0.541 120 L N -0.076 121.222 121.223 0.125 0.000 2.109 120 L HA 0.076 4.416 4.340 -0.001 0.000 0.207 120 L C 2.817 179.747 176.870 0.099 0.000 1.086 120 L CA 0.375 55.278 54.840 0.105 0.000 0.760 120 L CB -0.342 41.782 42.059 0.108 0.000 0.910 120 L HN 0.166 8.396 8.230 -0.000 0.000 0.437 121 L N -0.325 120.971 121.223 0.122 0.000 2.046 121 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 121 L C 2.503 179.414 176.870 0.070 0.000 1.077 121 L CA 1.304 56.196 54.840 0.087 0.000 0.747 121 L CB -0.448 41.658 42.059 0.078 0.000 0.896 121 L HN 0.214 8.444 8.230 -0.000 0.000 0.432 122 I N -0.098 120.529 120.570 0.095 0.000 2.335 122 I HA -0.287 3.883 4.170 -0.001 0.000 0.251 122 I C 2.420 178.562 176.117 0.042 0.000 1.129 122 I CA 1.356 62.689 61.300 0.056 0.000 1.402 122 I CB -0.306 37.740 38.000 0.076 0.000 1.069 122 I HN 0.291 8.501 8.210 -0.000 0.000 0.424 123 E N 0.199 120.431 120.200 0.054 0.000 2.107 123 E HA -0.204 4.146 4.350 -0.001 0.000 0.191 123 E C 2.127 178.748 176.600 0.035 0.000 0.982 123 E CA 0.694 57.120 56.400 0.043 0.000 0.809 123 E CB -0.097 29.633 29.700 0.049 0.000 0.756 123 E HN 0.484 8.844 8.360 -0.000 0.000 0.459 124 Q N -0.179 119.642 119.800 0.036 0.000 2.224 124 Q HA -0.048 4.292 4.340 -0.001 0.000 0.203 124 Q C 0.922 176.935 176.000 0.022 0.000 0.970 124 Q CA 1.104 56.924 55.803 0.028 0.000 0.865 124 Q CB 0.054 28.808 28.738 0.028 0.000 0.922 124 Q HN 0.381 8.651 8.270 -0.000 0.000 0.445 125 G N 1.715 110.528 108.800 0.021 0.000 2.734 125 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.277 125 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.277 125 G C -0.407 174.507 174.900 0.024 0.000 1.099 125 G CA -0.330 44.782 45.100 0.020 0.000 1.218 125 G HN 0.132 8.422 8.290 -0.000 0.000 0.554 126 I N 2.328 122.913 120.570 0.026 0.000 2.301 126 I HA 0.295 4.465 4.170 -0.001 0.000 0.292 126 I C -1.838 174.338 176.117 0.098 0.000 1.046 126 I CA -3.158 58.166 61.300 0.040 0.000 1.282 126 I CB 0.519 38.529 38.000 0.018 0.000 1.409 126 I HN 0.060 8.270 8.210 -0.000 0.000 0.484 127 P HA 0.234 4.654 4.420 -0.000 0.000 0.279 127 P C 0.751 178.058 177.300 0.011 0.000 1.239 127 P CA -0.577 62.551 63.100 0.046 0.000 0.789 127 P CB 1.371 33.068 31.700 -0.006 0.000 0.933 128 K N 2.847 123.149 120.400 -0.163 0.000 2.032 128 K HA -0.195 4.125 4.320 -0.001 0.000 0.209 128 K C 1.766 178.242 176.600 -0.207 0.000 1.048 128 K CA 1.828 57.882 56.287 -0.388 0.000 0.927 128 K CB -0.671 31.189 32.500 -1.067 0.000 0.712 128 K HN 0.455 8.705 8.250 -0.000 0.000 0.441 129 A N 1.193 123.908 122.820 -0.175 0.000 2.024 129 A HA -0.132 4.187 4.320 -0.001 0.000 0.220 129 A C 1.695 179.234 177.584 -0.075 0.000 1.164 129 A CA 1.363 53.330 52.037 -0.118 0.000 0.643 129 A CB -0.241 18.700 19.000 -0.099 0.000 0.806 129 A HN 0.209 8.359 8.150 -0.000 0.000 0.451 130 K N -0.385 119.980 120.400 -0.058 0.000 2.459 130 K HA 0.196 4.516 4.320 -0.001 0.000 0.193 130 K C 1.513 178.094 176.600 -0.032 0.000 1.030 130 K CA 0.184 56.449 56.287 -0.037 0.000 1.026 130 K CB -0.155 32.331 32.500 -0.023 0.000 0.809 130 K HN 0.536 8.786 8.250 -0.000 0.000 0.504 131 L N 0.752 121.954 121.223 -0.036 0.000 2.141 131 L HA -0.159 4.181 4.340 -0.001 0.000 0.209 131 L C 2.528 179.377 176.870 -0.035 0.000 1.094 131 L CA 1.048 55.871 54.840 -0.028 0.000 0.763 131 L CB -0.373 41.676 42.059 -0.017 0.000 0.908 131 L HN 0.132 8.362 8.230 -0.000 0.000 0.437 132 K N 1.148 121.524 120.400 -0.039 0.000 2.001 132 K HA -0.267 4.052 4.320 -0.001 0.000 0.214 132 K C 2.024 178.604 176.600 -0.033 0.000 1.050 132 K CA 2.266 58.531 56.287 -0.036 0.000 0.934 132 K CB -0.136 32.342 32.500 -0.037 0.000 0.718 132 K HN 0.503 8.753 8.250 -0.000 0.000 0.443 133 E N 0.439 120.621 120.200 -0.030 0.000 2.106 133 E HA -0.199 4.151 4.350 -0.001 0.000 0.192 133 E C 2.182 178.767 176.600 -0.025 0.000 0.984 133 E CA 1.391 57.776 56.400 -0.025 0.000 0.806 133 E CB -0.480 29.207 29.700 -0.022 0.000 0.750 133 E HN 0.425 8.785 8.360 -0.000 0.000 0.458 134 I N 1.460 122.014 120.570 -0.026 0.000 2.151 134 I HA -0.291 3.879 4.170 -0.001 0.000 0.243 134 I C 2.487 178.586 176.117 -0.031 0.000 1.080 134 I CA 1.174 62.458 61.300 -0.026 0.000 1.339 134 I CB -0.181 37.804 38.000 -0.025 0.000 1.039 134 I HN 0.059 8.269 8.210 -0.000 0.000 0.409 135 V N 0.736 120.628 119.914 -0.037 0.000 2.358 135 V HA -0.252 3.868 4.120 -0.001 0.000 0.246 135 V C 2.650 178.719 176.094 -0.041 0.000 1.047 135 V CA 1.859 64.133 62.300 -0.044 0.000 1.035 135 V CB -0.959 30.831 31.823 -0.054 0.000 0.658 135 V HN 0.498 8.688 8.190 -0.000 0.000 0.452 136 A N 0.089 122.888 122.820 -0.035 0.000 1.933 136 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 136 A C 1.810 179.378 177.584 -0.026 0.000 1.175 136 A CA 1.992 54.010 52.037 -0.030 0.000 0.628 136 A CB -0.532 18.453 19.000 -0.025 0.000 0.814 136 A HN 0.552 8.702 8.150 -0.000 0.000 0.444 137 D N 0.096 120.481 120.400 -0.024 0.000 2.349 137 D HA 0.043 4.683 4.640 -0.001 0.000 0.224 137 D C 1.141 177.428 176.300 -0.022 0.000 1.029 137 D CA 0.820 54.808 54.000 -0.020 0.000 0.879 137 D CB -0.133 40.657 40.800 -0.017 0.000 0.906 137 D HN 0.532 8.902 8.370 -0.000 0.000 0.528 138 S N -0.121 115.561 115.700 -0.029 0.000 2.669 138 S HA 0.158 4.628 4.470 -0.001 0.000 0.270 138 S C 0.542 175.120 174.600 -0.038 0.000 1.225 138 S CA -0.669 57.512 58.200 -0.033 0.000 0.991 138 S CB 1.580 64.758 63.200 -0.038 0.000 0.987 138 S HN -0.207 8.103 8.310 -0.000 0.000 0.552 139 D N 0.570 120.945 120.400 -0.040 0.000 2.352 139 D HA 0.201 4.841 4.640 -0.001 0.000 0.236 139 D C 0.650 176.904 176.300 -0.077 0.000 1.148 139 D CA -0.040 53.931 54.000 -0.047 0.000 0.844 139 D CB -0.075 40.704 40.800 -0.035 0.000 0.933 139 D HN 0.300 8.670 8.370 -0.000 0.000 0.507 143 K N 1.088 121.431 120.400 -0.094 0.000 2.355 143 K HA 0.091 4.410 4.320 -0.001 0.000 0.270 143 K C -0.070 176.609 176.600 0.131 0.000 1.003 143 K CA -0.089 56.174 56.287 -0.040 0.000 0.957 143 K CB 0.664 33.067 32.500 -0.161 0.000 0.939 143 K HN 0.507 8.757 8.250 -0.000 0.000 0.482 144 E N 0.579 120.839 120.200 0.100 0.000 2.558 144 E HA -0.090 4.259 4.350 -0.001 0.000 0.255 144 E C 0.571 177.230 176.600 0.099 0.000 0.968 144 E CA 0.937 57.408 56.400 0.119 0.000 0.939 144 E CB 0.046 29.803 29.700 0.095 0.000 0.921 144 E HN 0.769 9.129 8.360 -0.000 0.000 0.477 145 G N 3.610 112.455 108.800 0.075 0.000 2.176 145 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.232 145 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.232 145 G C 0.392 175.366 174.900 0.123 0.000 0.986 145 G CA 0.414 45.551 45.100 0.062 0.000 0.643 145 G HN 0.766 9.056 8.290 -0.000 0.000 0.522 146 Y N 0.258 120.664 120.300 0.176 0.000 2.224 146 Y HA 0.141 4.691 4.550 -0.001 0.000 0.289 146 Y C 2.178 178.371 175.900 0.488 0.000 1.146 146 Y CA 1.791 60.097 58.100 0.344 0.000 1.182 146 Y CB -0.557 38.100 38.460 0.329 0.000 0.983 146 Y HN 0.356 8.636 8.280 -0.000 0.000 0.524 147 E N 0.661 120.608 120.200 -0.421 0.000 2.077 147 E HA -0.220 4.130 4.350 -0.001 0.000 0.193 147 E C 2.199 178.872 176.600 0.123 0.000 0.989 147 E CA 1.325 57.637 56.400 -0.147 0.000 0.800 147 E CB -0.297 29.183 29.700 -0.367 0.000 0.746 147 E HN 0.514 8.874 8.360 -0.000 0.000 0.452 148 N N -0.479 118.270 118.700 0.083 0.000 2.106 148 N HA -0.164 4.576 4.740 -0.001 0.000 0.188 148 N C 1.740 177.364 175.510 0.190 0.000 1.029 148 N CA 1.076 54.201 53.050 0.124 0.000 0.848 148 N CB -0.261 38.283 38.487 0.094 0.000 1.007 148 N HN 0.171 8.551 8.380 -0.000 0.000 0.423 149 F N 1.125 121.124 119.950 0.082 0.000 2.043 149 F HA -0.217 4.310 4.527 -0.001 0.000 0.297 149 F C 1.980 177.801 175.800 0.034 0.000 1.121 149 F CA 1.710 59.715 58.000 0.009 0.000 1.199 149 F CB -0.802 38.143 39.000 -0.091 0.000 0.968 149 F HN -0.048 8.252 8.300 -0.000 0.000 0.478 150 F N 0.326 120.391 119.950 0.192 0.000 2.259 150 F HA 0.058 4.585 4.527 -0.001 0.000 0.298 150 F C 2.623 178.497 175.800 0.124 0.000 1.088 150 F CA 1.244 59.334 58.000 0.151 0.000 1.358 150 F CB -1.249 37.983 39.000 0.387 0.000 1.040 150 F HN 0.083 8.383 8.300 -0.000 0.000 0.505 151 G N -0.247 108.733 108.800 0.300 0.000 2.394 151 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.215 151 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.215 151 G C 1.838 176.774 174.900 0.060 0.000 1.165 151 G CA 0.364 45.544 45.100 0.134 0.000 0.784 151 G HN 0.050 8.340 8.290 -0.000 0.000 0.535 152 K N 0.522 120.965 120.400 0.072 0.000 2.057 152 K HA 0.074 4.394 4.320 -0.001 0.000 0.207 152 K C 2.495 179.169 176.600 0.122 0.000 1.049 152 K CA 0.533 56.886 56.287 0.110 0.000 0.931 152 K CB -0.805 31.735 32.500 0.067 0.000 0.714 152 K HN 0.343 8.593 8.250 -0.000 0.000 0.440 153 L N 0.891 122.105 121.223 -0.014 0.000 1.994 153 L HA -0.233 4.106 4.340 -0.001 0.000 0.208 153 L C 2.774 179.670 176.870 0.044 0.000 1.071 153 L CA 1.419 56.242 54.840 -0.028 0.000 0.745 153 L CB -0.493 41.455 42.059 -0.185 0.000 0.892 153 L HN 0.155 8.385 8.230 -0.000 0.000 0.431 154 Q N -0.063 119.751 119.800 0.024 0.000 2.170 154 Q HA -0.247 4.092 4.340 -0.001 0.000 0.203 154 Q C 2.158 178.109 176.000 -0.081 0.000 0.976 154 Q CA 1.548 57.321 55.803 -0.050 0.000 0.858 154 Q CB -0.222 28.332 28.738 -0.306 0.000 0.907 154 Q HN 0.382 8.652 8.270 -0.000 0.000 0.433 155 Q N -1.003 118.748 119.800 -0.082 0.000 2.135 155 Q HA -0.197 4.142 4.340 -0.001 0.000 0.204 155 Q C 0.703 176.516 176.000 -0.312 0.000 0.981 155 Q CA 1.690 57.381 55.803 -0.185 0.000 0.856 155 Q CB 0.059 28.690 28.738 -0.178 0.000 0.902 155 Q HN 0.661 8.931 8.270 -0.000 0.000 0.425 156 H N -2.293 116.761 119.070 -0.026 0.000 2.594 156 H HA 0.259 4.815 4.556 -0.001 0.000 0.279 156 H C 0.650 175.975 175.328 -0.005 0.000 1.042 156 H CA 0.490 56.529 56.048 -0.014 0.000 1.177 156 H CB 1.021 30.775 29.762 -0.012 0.000 1.524 156 H HN 0.417 8.697 8.280 -0.000 0.000 0.537 157 G N 1.329 110.165 108.800 0.060 0.000 2.249 157 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.273 157 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.273 157 G C -0.137 174.808 174.900 0.075 0.000 1.036 157 G CA 0.029 45.160 45.100 0.052 0.000 0.824 157 G HN 0.212 8.502 8.290 -0.000 0.000 0.504 158 I N 0.755 121.377 120.570 0.086 0.000 2.471 158 I HA 0.204 4.374 4.170 -0.001 0.000 0.286 158 I C -1.692 174.492 176.117 0.111 0.000 1.079 158 I CA -3.112 58.237 61.300 0.082 0.000 1.398 158 I CB 0.246 38.277 38.000 0.052 0.000 1.403 158 I HN -0.109 8.101 8.210 -0.000 0.000 0.530 159 P HA 0.058 4.479 4.420 -0.000 0.000 0.264 159 P C -0.608 176.850 177.300 0.263 0.000 1.193 159 P CA 0.221 63.448 63.100 0.211 0.000 0.763 159 P CB 0.524 32.330 31.700 0.175 0.000 0.810 160 V N 5.317 125.419 119.914 0.313 0.000 2.483 160 V HA 0.387 4.507 4.120 -0.001 0.000 0.297 160 V C -0.698 175.615 176.094 0.366 0.000 1.027 160 V CA -0.401 62.093 62.300 0.324 0.000 0.855 160 V CB 1.357 33.346 31.823 0.277 0.000 0.995 160 V HN 0.370 8.560 8.190 -0.000 0.000 0.424 161 F N 6.448 126.517 119.950 0.197 0.000 2.366 161 F HA 0.617 5.144 4.527 -0.001 0.000 0.366 161 F C -0.086 175.817 175.800 0.172 0.000 1.096 161 F CA -0.639 57.386 58.000 0.042 0.000 1.060 161 F CB 0.716 39.701 39.000 -0.025 0.000 1.282 161 F HN 0.365 8.665 8.300 -0.000 0.000 0.450 162 I N 6.509 127.037 120.570 -0.071 0.000 2.352 162 I HA 0.139 4.309 4.170 -0.001 0.000 0.290 162 I C -0.895 175.138 176.117 -0.140 0.000 1.036 162 I CA -0.376 60.947 61.300 0.039 0.000 1.336 162 I CB 0.623 38.684 38.000 0.102 0.000 1.407 162 I HN 0.420 8.630 8.210 -0.000 0.000 0.497 163 F N 6.846 126.725 119.950 -0.119 0.000 2.382 163 F HA 0.479 5.006 4.527 -0.001 0.000 0.361 163 F C -0.260 175.543 175.800 0.006 0.000 1.109 163 F CA -1.142 56.791 58.000 -0.111 0.000 1.031 163 F CB 1.300 40.394 39.000 0.157 0.000 1.234 163 F HN 0.333 8.633 8.300 -0.000 0.000 0.445 164 S N 3.985 119.842 115.700 0.262 0.000 2.594 164 S HA 0.695 5.164 4.470 -0.001 0.000 0.296 164 S C 0.371 174.991 174.600 0.033 0.000 1.124 164 S CA -0.056 58.190 58.200 0.076 0.000 1.011 164 S CB 1.449 64.678 63.200 0.049 0.000 1.016 164 S HN 0.787 9.097 8.310 -0.000 0.000 0.485 165 A N 3.919 126.729 122.820 -0.017 0.000 2.252 165 A HA 0.432 4.751 4.320 -0.001 0.000 0.207 165 A C 1.165 178.818 177.584 0.115 0.000 1.194 165 A CA 0.537 52.591 52.037 0.029 0.000 0.809 165 A CB -0.883 18.116 19.000 -0.001 0.000 0.814 165 A HN 0.901 9.051 8.150 -0.000 0.000 0.482 166 G N -0.396 108.432 108.800 0.046 0.000 2.514 166 G HA2 0.445 4.405 3.960 -0.001 0.000 0.245 166 G HA3 0.445 4.405 3.960 -0.001 0.000 0.245 166 G C -0.070 174.816 174.900 -0.022 0.000 1.488 166 G CA -0.594 44.519 45.100 0.023 0.000 1.063 166 G HN 0.253 8.543 8.290 -0.000 0.000 0.557 167 I N 0.836 121.351 120.570 -0.091 0.000 2.330 167 I HA 0.266 4.436 4.170 -0.001 0.000 0.289 167 I C 1.568 177.464 176.117 -0.368 0.000 1.001 167 I CA -0.365 60.848 61.300 -0.145 0.000 1.193 167 I CB 1.860 39.814 38.000 -0.078 0.000 1.345 167 I HN 0.589 8.799 8.210 -0.000 0.000 0.461 168 G N 3.818 112.194 108.800 -0.707 0.000 2.408 168 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.217 168 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.217 168 G C 0.893 175.282 174.900 -0.851 0.000 1.150 168 G CA 0.622 44.954 45.100 -1.280 0.000 0.776 168 G HN 0.641 8.931 8.290 -0.000 0.000 0.542 169 D N 0.265 120.352 120.400 -0.522 0.000 2.097 169 D HA -0.095 4.545 4.640 -0.001 0.000 0.195 169 D C 2.656 178.880 176.300 -0.127 0.000 0.989 169 D CA 0.984 54.928 54.000 -0.093 0.000 0.827 169 D CB -0.227 40.600 40.800 0.045 0.000 0.966 169 D HN 0.218 8.588 8.370 -0.000 0.000 0.456 170 V N 0.909 120.714 119.914 -0.183 0.000 2.261 170 V HA -0.220 3.900 4.120 -0.001 0.000 0.246 170 V C 2.402 178.344 176.094 -0.253 0.000 1.047 170 V CA 1.305 63.502 62.300 -0.171 0.000 1.015 170 V CB -0.654 31.083 31.823 -0.144 0.000 0.642 170 V HN 0.253 8.443 8.190 -0.000 0.000 0.446 171 L N -0.098 120.885 121.223 -0.401 0.000 2.021 171 L HA -0.288 4.052 4.340 -0.001 0.000 0.215 171 L C 2.676 179.193 176.870 -0.587 0.000 1.074 171 L CA 2.124 56.546 54.840 -0.696 0.000 0.760 171 L CB -0.333 41.213 42.059 -0.854 0.000 0.889 171 L HN 0.426 8.656 8.230 -0.000 0.000 0.433 172 E N -0.682 119.270 120.200 -0.415 0.000 2.072 172 E HA -0.274 4.076 4.350 -0.001 0.000 0.191 172 E C 2.018 178.508 176.600 -0.184 0.000 0.985 172 E CA 1.177 57.364 56.400 -0.354 0.000 0.801 172 E CB -0.002 29.691 29.700 -0.012 0.000 0.750 172 E HN 0.439 8.799 8.360 -0.000 0.000 0.452 173 E N 0.758 120.883 120.200 -0.126 0.000 2.051 173 E HA -0.154 4.196 4.350 -0.001 0.000 0.192 173 E C 2.049 178.584 176.600 -0.108 0.000 0.991 173 E CA 0.914 57.267 56.400 -0.079 0.000 0.799 173 E CB -0.198 29.464 29.700 -0.064 0.000 0.748 173 E HN 0.015 8.375 8.360 -0.000 0.000 0.449 174 V N 2.027 121.852 119.914 -0.148 0.000 2.231 174 V HA -0.337 3.783 4.120 -0.001 0.000 0.250 174 V C 2.530 178.529 176.094 -0.158 0.000 1.058 174 V CA 2.328 64.551 62.300 -0.130 0.000 1.022 174 V CB -1.004 30.769 31.823 -0.083 0.000 0.640 174 V HN 0.533 8.723 8.190 -0.000 0.000 0.445 175 I N -1.050 119.380 120.570 -0.234 0.000 2.439 175 I HA -0.169 4.000 4.170 -0.001 0.000 0.251 175 I C 2.607 178.615 176.117 -0.183 0.000 1.139 175 I CA 1.880 63.010 61.300 -0.283 0.000 1.438 175 I CB -0.580 37.156 38.000 -0.440 0.000 1.085 175 I HN 0.156 8.366 8.210 -0.000 0.000 0.427 176 R N 1.263 121.718 120.500 -0.075 0.000 2.066 176 R HA -0.150 4.190 4.340 -0.001 0.000 0.232 176 R C 2.329 178.609 176.300 -0.033 0.000 1.131 176 R CA 1.816 57.927 56.100 0.018 0.000 0.955 176 R CB -0.232 30.118 30.300 0.084 0.000 0.851 176 R HN 0.518 8.788 8.270 -0.000 0.000 0.432 177 Q N -0.643 119.126 119.800 -0.052 0.000 2.291 177 Q HA -0.040 4.299 4.340 -0.001 0.000 0.205 177 Q C 1.705 177.679 176.000 -0.044 0.000 0.970 177 Q CA 1.167 56.943 55.803 -0.044 0.000 0.876 177 Q CB 0.164 28.873 28.738 -0.048 0.000 0.935 177 Q HN 0.410 8.680 8.270 -0.000 0.000 0.455 178 A N 0.084 122.856 122.820 -0.080 0.000 2.208 178 A HA 0.266 4.586 4.320 -0.001 0.000 0.209 178 A C 1.542 179.142 177.584 0.026 0.000 1.161 178 A CA 0.703 52.706 52.037 -0.055 0.000 0.782 178 A CB -0.277 18.593 19.000 -0.217 0.000 0.816 178 A HN 0.424 8.574 8.150 -0.000 0.000 0.477 179 G N -1.069 107.711 108.800 -0.033 0.000 2.160 179 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.251 179 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.251 179 G C 0.780 175.579 174.900 -0.169 0.000 1.008 179 G CA 0.982 46.060 45.100 -0.037 0.000 0.724 179 G HN 1.689 9.979 8.290 -0.000 0.000 0.514 180 V N -3.806 115.912 119.914 -0.327 0.000 3.276 180 V HA 0.491 4.610 4.120 -0.001 0.000 0.319 180 V C 0.796 176.453 176.094 -0.729 0.000 1.427 180 V CA -0.372 61.529 62.300 -0.664 0.000 1.102 180 V CB 0.010 31.441 31.823 -0.654 0.000 1.020 180 V HN 0.450 8.640 8.190 -0.000 0.000 0.456 181 Y N 4.087 124.033 120.300 -0.589 0.000 2.667 181 Y HA 0.425 4.975 4.550 -0.001 0.000 0.340 181 Y C 0.621 176.378 175.900 -0.238 0.000 1.303 181 Y CA -1.417 56.480 58.100 -0.338 0.000 1.769 181 Y CB -1.332 37.003 38.460 -0.207 0.000 1.804 181 Y HN 0.443 8.723 8.280 -0.000 0.000 0.451 182 H N 0.133 119.320 119.070 0.195 0.000 2.505 182 H HA 0.101 4.657 4.556 -0.001 0.000 0.358 182 H C 1.498 176.868 175.328 0.069 0.000 1.304 182 H CA 0.498 56.603 56.048 0.095 0.000 1.393 182 H CB 0.773 30.612 29.762 0.128 0.000 1.591 182 H HN 0.393 8.673 8.280 -0.000 0.000 0.595 183 S N 0.566 116.371 115.700 0.174 0.000 2.419 183 S HA -0.207 4.263 4.470 -0.001 0.000 0.233 183 S C 1.328 176.010 174.600 0.138 0.000 1.016 183 S CA 1.223 59.476 58.200 0.088 0.000 0.974 183 S CB -0.297 62.936 63.200 0.054 0.000 0.786 183 S HN 0.752 9.062 8.310 -0.000 0.000 0.492 184 N N 1.473 120.289 118.700 0.194 0.000 2.515 184 N HA -0.013 4.727 4.740 -0.001 0.000 0.185 184 N C -0.089 175.580 175.510 0.265 0.000 1.109 184 N CA 0.220 53.391 53.050 0.203 0.000 0.903 184 N CB -0.332 38.262 38.487 0.177 0.000 0.969 184 N HN 0.373 8.753 8.380 -0.000 0.000 0.450 185 V N 1.523 121.621 119.914 0.307 0.000 2.333 185 V HA 0.215 4.334 4.120 -0.001 0.000 0.274 185 V C 0.218 176.493 176.094 0.302 0.000 1.028 185 V CA -0.798 61.713 62.300 0.352 0.000 0.851 185 V CB 1.211 33.309 31.823 0.459 0.000 1.000 185 V HN 0.110 8.300 8.190 -0.000 0.000 0.456 186 K N 3.955 124.462 120.400 0.179 0.000 2.185 186 K HA 0.582 4.902 4.320 -0.001 0.000 0.269 186 K C -1.221 175.311 176.600 -0.113 0.000 0.987 186 K CA -0.440 55.867 56.287 0.034 0.000 0.865 186 K CB 1.938 34.373 32.500 -0.108 0.000 1.090 186 K HN 0.430 8.680 8.250 -0.000 0.000 0.450 187 V N 4.550 124.429 119.914 -0.058 0.000 2.357 187 V HA 0.258 4.378 4.120 -0.001 0.000 0.284 187 V C -0.286 175.762 176.094 -0.077 0.000 1.018 187 V CA -0.938 61.306 62.300 -0.092 0.000 0.841 187 V CB 1.667 33.498 31.823 0.014 0.000 0.991 187 V HN 0.413 8.603 8.190 -0.000 0.000 0.437 188 V N 4.782 124.524 119.914 -0.286 0.000 2.318 188 V HA 0.630 4.750 4.120 -0.001 0.000 0.271 188 V C 0.229 176.388 176.094 0.110 0.000 1.030 188 V CA 0.351 62.572 62.300 -0.130 0.000 0.844 188 V CB 1.164 32.700 31.823 -0.479 0.000 1.015 188 V HN 0.925 9.115 8.190 -0.000 0.000 0.460 189 S N 3.732 119.595 115.700 0.271 0.000 2.819 189 S HA 0.462 4.932 4.470 -0.001 0.000 0.299 189 S C -0.885 173.795 174.600 0.134 0.000 1.192 189 S CA -0.852 57.395 58.200 0.078 0.000 0.847 189 S CB 1.607 64.658 63.200 -0.250 0.000 1.224 189 S HN 0.676 8.986 8.310 -0.000 0.000 0.537 190 N N 1.847 120.566 118.700 0.032 0.000 2.402 190 N HA 0.277 5.017 4.740 -0.001 0.000 0.259 190 N C -0.956 174.628 175.510 0.122 0.000 1.167 190 N CA 0.332 53.470 53.050 0.147 0.000 0.949 190 N CB -0.341 38.201 38.487 0.091 0.000 1.212 190 N HN 0.318 8.698 8.380 -0.000 0.000 0.493 194 F N 1.904 121.792 119.950 -0.104 0.000 2.470 194 F HA 0.420 4.947 4.527 -0.000 0.000 0.329 194 F C 0.965 176.731 175.800 -0.057 0.000 1.072 194 F CA -0.673 57.275 58.000 -0.087 0.000 0.989 194 F CB 1.181 40.134 39.000 -0.078 0.000 1.193 194 F HN 0.210 8.510 8.300 -0.000 0.000 0.481 195 D N 0.114 120.598 120.400 0.139 0.000 2.506 195 D HA 0.187 4.827 4.640 -0.001 0.000 0.272 195 D C 0.755 177.094 176.300 0.066 0.000 1.214 195 D CA -0.439 53.603 54.000 0.071 0.000 1.067 195 D CB 0.364 41.188 40.800 0.042 0.000 1.117 195 D HN 0.501 8.871 8.370 -0.000 0.000 0.578 196 E N -0.403 119.818 120.200 0.035 0.000 2.136 196 E HA -0.240 4.110 4.350 -0.001 0.000 0.202 196 E C 1.221 177.826 176.600 0.010 0.000 1.019 196 E CA 1.763 58.174 56.400 0.019 0.000 0.819 196 E CB -0.382 29.325 29.700 0.011 0.000 0.739 196 E HN 0.406 8.766 8.360 -0.000 0.000 0.458 197 N N -0.294 118.415 118.700 0.015 0.000 2.461 197 N HA 0.032 4.772 4.740 -0.001 0.000 0.188 197 N C 0.604 176.109 175.510 -0.008 0.000 1.134 197 N CA 0.930 53.981 53.050 0.002 0.000 0.878 197 N CB 0.816 39.307 38.487 0.007 0.000 0.972 197 N HN 0.315 8.695 8.380 -0.000 0.000 0.456 198 G N 0.703 109.507 108.800 0.006 0.000 2.225 198 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.264 198 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.264 198 G C -0.180 174.751 174.900 0.052 0.000 1.060 198 G CA 0.086 45.156 45.100 -0.051 0.000 0.833 198 G HN 0.175 8.465 8.290 -0.000 0.000 0.498 199 V N 0.458 120.471 119.914 0.166 0.000 2.732 199 V HA 0.691 4.810 4.120 -0.001 0.000 0.310 199 V C 0.745 176.983 176.094 0.240 0.000 1.053 199 V CA -0.868 61.543 62.300 0.185 0.000 0.957 199 V CB 1.825 33.694 31.823 0.077 0.000 1.018 199 V HN 0.592 8.782 8.190 -0.000 0.000 0.452 200 L N 4.373 125.667 121.223 0.117 0.000 2.410 200 L HA 0.276 4.616 4.340 -0.001 0.000 0.273 200 L C 1.010 177.793 176.870 -0.145 0.000 1.144 200 L CA 0.640 55.362 54.840 -0.196 0.000 0.863 200 L CB 0.319 42.211 42.059 -0.279 0.000 1.140 200 L HN 0.830 9.060 8.230 -0.000 0.000 0.463 201 K N 3.216 123.497 120.400 -0.198 0.000 2.425 201 K HA 0.643 4.963 4.320 -0.001 0.000 0.201 201 K C 0.475 177.022 176.600 -0.089 0.000 1.128 201 K CA 0.137 56.364 56.287 -0.099 0.000 1.000 201 K CB 0.584 33.053 32.500 -0.052 0.000 0.961 201 K HN 0.725 8.975 8.250 -0.000 0.000 0.555 202 G N 0.266 108.954 108.800 -0.187 0.000 2.348 202 G HA2 0.390 4.350 3.960 -0.001 0.000 0.296 202 G HA3 0.390 4.350 3.960 -0.001 0.000 0.296 202 G C -2.010 172.737 174.900 -0.255 0.000 1.258 202 G CA -0.971 44.093 45.100 -0.060 0.000 0.868 202 G HN 0.012 8.302 8.290 -0.000 0.000 0.488 203 F N 0.953 120.841 119.950 -0.103 0.000 2.551 203 F HA 0.597 5.124 4.527 -0.001 0.000 0.316 203 F C 0.610 176.391 175.800 -0.031 0.000 1.089 203 F CA -0.696 57.240 58.000 -0.108 0.000 0.915 203 F CB 2.524 41.451 39.000 -0.121 0.000 1.186 203 F HN 0.191 8.491 8.300 -0.000 0.000 0.456 204 K N 1.580 122.054 120.400 0.122 0.000 2.237 204 K HA 0.572 4.892 4.320 -0.001 0.000 0.270 204 K C 0.595 177.282 176.600 0.146 0.000 1.015 204 K CA 0.289 56.639 56.287 0.105 0.000 0.949 204 K CB 0.816 33.365 32.500 0.083 0.000 0.976 204 K HN 0.878 9.128 8.250 -0.000 0.000 0.472 205 G N 2.051 110.915 108.800 0.106 0.000 2.562 205 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.250 205 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.250 205 G C -0.818 174.148 174.900 0.110 0.000 1.269 205 G CA -0.396 44.765 45.100 0.102 0.000 0.919 205 G HN 0.614 8.904 8.290 -0.000 0.000 0.574 206 E N -0.776 119.490 120.200 0.109 0.000 2.214 206 E HA 0.557 4.907 4.350 -0.001 0.000 0.274 206 E C 0.167 176.832 176.600 0.108 0.000 0.977 206 E CA -0.834 55.629 56.400 0.105 0.000 0.827 206 E CB 1.778 31.537 29.700 0.098 0.000 1.130 206 E HN 0.691 9.051 8.360 -0.000 0.000 0.394 207 L N 3.751 125.028 121.223 0.089 0.000 2.410 207 L HA 0.232 4.571 4.340 -0.001 0.000 0.273 207 L C -0.996 175.867 176.870 -0.011 0.000 1.144 207 L CA 0.506 55.378 54.840 0.053 0.000 0.863 207 L CB 0.165 42.240 42.059 0.027 0.000 1.140 207 L HN 0.439 8.669 8.230 -0.000 0.000 0.463 208 I N 6.011 126.565 120.570 -0.026 0.000 2.325 208 I HA 0.315 4.484 4.170 -0.001 0.000 0.291 208 I C -0.048 175.871 176.117 -0.329 0.000 1.019 208 I CA -0.473 60.750 61.300 -0.128 0.000 1.302 208 I CB 0.488 38.511 38.000 0.038 0.000 1.401 208 I HN 0.804 9.014 8.210 -0.000 0.000 0.485 209 H N 3.275 122.046 119.070 -0.498 0.000 2.995 209 H HA 0.383 4.939 4.556 -0.001 0.000 0.305 209 H C 0.540 175.563 175.328 -0.507 0.000 1.510 209 H CA -0.944 54.601 56.048 -0.839 0.000 1.376 209 H CB 0.827 29.793 29.762 -1.326 0.000 1.918 209 H HN 0.134 8.414 8.280 -0.000 0.000 0.709 210 V N -0.467 119.255 119.914 -0.320 0.000 2.626 210 V HA -0.125 3.995 4.120 -0.001 0.000 0.252 210 V C 0.470 176.327 176.094 -0.397 0.000 1.067 210 V CA 1.675 63.742 62.300 -0.388 0.000 1.081 210 V CB -0.927 30.597 31.823 -0.497 0.000 0.686 210 V HN 0.645 8.835 8.190 -0.000 0.000 0.468 211 F N 1.119 120.977 119.950 -0.154 0.000 2.721 211 F HA 0.313 4.840 4.527 -0.001 0.000 0.301 211 F C 1.392 176.951 175.800 -0.401 0.000 1.096 211 F CA 0.004 57.836 58.000 -0.281 0.000 1.308 211 F CB -0.346 38.422 39.000 -0.386 0.000 1.086 211 F HN 0.492 8.792 8.300 -0.000 0.000 0.587 212 N N -0.175 118.233 118.700 -0.487 0.000 2.401 212 N HA 0.040 4.780 4.740 -0.001 0.000 0.264 212 N C 0.703 176.170 175.510 -0.071 0.000 1.238 212 N CA -0.049 52.880 53.050 -0.202 0.000 0.889 212 N CB -0.303 37.960 38.487 -0.373 0.000 1.196 212 N HN 0.104 8.484 8.380 -0.000 0.000 0.511 213 K N -0.333 120.007 120.400 -0.099 0.000 2.283 213 K HA -0.160 4.160 4.320 -0.001 0.000 0.202 213 K C 1.306 178.049 176.600 0.238 0.000 1.048 213 K CA 0.791 57.018 56.287 -0.101 0.000 0.948 213 K CB -0.199 32.023 32.500 -0.463 0.000 0.742 213 K HN 0.391 8.641 8.250 -0.000 0.000 0.458 214 H N 2.063 121.218 119.070 0.141 0.000 2.319 214 H HA -0.175 4.380 4.556 -0.001 0.000 0.297 214 H C 1.356 176.790 175.328 0.175 0.000 1.097 214 H CA 2.270 58.410 56.048 0.154 0.000 1.285 214 H CB 0.040 29.875 29.762 0.120 0.000 1.368 214 H HN 0.151 8.431 8.280 -0.000 0.000 0.495 215 D N -0.351 120.151 120.400 0.170 0.000 2.108 215 D HA -0.153 4.487 4.640 -0.001 0.000 0.190 215 D C 2.494 178.858 176.300 0.108 0.000 0.995 215 D CA 1.663 55.729 54.000 0.109 0.000 0.834 215 D CB -1.189 39.722 40.800 0.185 0.000 0.967 215 D HN 0.614 8.984 8.370 -0.000 0.000 0.446 216 G N 0.662 109.618 108.800 0.261 0.000 2.442 216 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.219 216 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.219 216 G C 1.712 176.695 174.900 0.139 0.000 1.141 216 G CA 1.511 46.787 45.100 0.294 0.000 0.763 216 G HN 0.426 8.716 8.290 -0.000 0.000 0.554 217 A N 0.314 123.283 122.820 0.250 0.000 1.908 217 A HA 0.060 4.379 4.320 -0.001 0.000 0.218 217 A C 2.334 179.889 177.584 -0.048 0.000 1.181 217 A CA 1.484 53.575 52.037 0.090 0.000 0.627 217 A CB -0.369 18.721 19.000 0.150 0.000 0.818 217 A HN 0.310 8.460 8.150 -0.000 0.000 0.445 218 L N -0.304 120.852 121.223 -0.111 0.000 2.156 218 L HA -0.046 4.293 4.340 -0.001 0.000 0.208 218 L C 1.760 178.623 176.870 -0.011 0.000 1.095 218 L CA 1.496 56.270 54.840 -0.110 0.000 0.770 218 L CB -0.258 41.679 42.059 -0.204 0.000 0.914 218 L HN 0.281 8.511 8.230 -0.000 0.000 0.439 219 K N -0.110 120.302 120.400 0.020 0.000 2.589 219 K HA 0.093 4.413 4.320 -0.001 0.000 0.204 219 K C 0.388 177.032 176.600 0.073 0.000 1.029 219 K CA 0.047 56.363 56.287 0.049 0.000 1.177 219 K CB -0.131 32.403 32.500 0.058 0.000 0.902 219 K HN 0.272 8.522 8.250 -0.000 0.000 0.501 220 N N 0.198 118.964 118.700 0.110 0.000 2.240 220 N HA 0.019 4.759 4.740 -0.001 0.000 0.240 220 N C 0.516 176.161 175.510 0.226 0.000 1.277 220 N CA 0.089 53.233 53.050 0.157 0.000 0.873 220 N CB 0.894 39.487 38.487 0.178 0.000 1.222 220 N HN -0.037 8.343 8.380 -0.000 0.000 0.507 221 T N 2.047 116.713 114.554 0.186 0.000 2.684 221 T HA -0.267 4.083 4.350 -0.001 0.000 0.259 221 T C 1.064 175.820 174.700 0.094 0.000 1.086 221 T CA 2.281 64.463 62.100 0.137 0.000 1.155 221 T CB -0.286 68.625 68.868 0.072 0.000 0.848 221 T HN 0.398 8.638 8.240 -0.000 0.000 0.464 222 D N -0.291 120.152 120.400 0.072 0.000 2.268 222 D HA -0.202 4.437 4.640 -0.001 0.000 0.189 222 D C 1.679 177.999 176.300 0.034 0.000 1.010 222 D CA 2.068 56.098 54.000 0.050 0.000 0.862 222 D CB -0.943 39.891 40.800 0.057 0.000 0.943 222 D HN 0.622 8.992 8.370 -0.000 0.000 0.451 223 Y N 0.304 120.524 120.300 -0.132 0.000 2.153 223 Y HA -0.126 4.424 4.550 -0.001 0.000 0.289 223 Y C 2.307 177.991 175.900 -0.360 0.000 1.127 223 Y CA 1.329 59.254 58.100 -0.293 0.000 1.131 223 Y CB -0.553 37.625 38.460 -0.469 0.000 0.995 223 Y HN -0.156 8.124 8.280 -0.000 0.000 0.505 224 F N -0.241 119.644 119.950 -0.108 0.000 2.365 224 F HA -0.131 4.395 4.527 -0.000 0.000 0.300 224 F C 2.451 178.148 175.800 -0.172 0.000 1.090 224 F CA 1.403 59.282 58.000 -0.202 0.000 1.408 224 F CB -0.582 38.345 39.000 -0.122 0.000 1.060 224 F HN -0.007 8.293 8.300 -0.000 0.000 0.534 225 S N -0.753 114.950 115.700 0.005 0.000 2.446 225 S HA -0.100 4.370 4.470 -0.001 0.000 0.225 225 S C 1.887 176.453 174.600 -0.057 0.000 1.016 225 S CA 0.366 58.561 58.200 -0.009 0.000 0.943 225 S CB -0.219 62.984 63.200 0.005 0.000 0.786 225 S HN 0.429 8.739 8.310 -0.000 0.000 0.508 226 Q N 0.676 120.408 119.800 -0.113 0.000 2.291 226 Q HA 0.030 4.370 4.340 -0.001 0.000 0.206 226 Q C 0.721 176.634 176.000 -0.145 0.000 0.976 226 Q CA 0.806 56.531 55.803 -0.130 0.000 0.875 226 Q CB -0.286 28.352 28.738 -0.167 0.000 0.927 226 Q HN 0.491 8.761 8.270 -0.000 0.000 0.450 227 L N 0.478 121.593 121.223 -0.179 0.000 3.094 227 L HA 0.175 4.515 4.340 -0.001 0.000 0.254 227 L C 1.381 178.221 176.870 -0.049 0.000 1.298 227 L CA -0.203 54.551 54.840 -0.144 0.000 1.050 227 L CB 0.239 42.147 42.059 -0.252 0.000 1.420 227 L HN -0.012 8.218 8.230 -0.000 0.000 0.548 228 K N 0.258 120.637 120.400 -0.035 0.000 2.103 228 K HA -0.171 4.149 4.320 -0.001 0.000 0.207 228 K C 1.174 177.772 176.600 -0.004 0.000 1.048 228 K CA 1.471 57.752 56.287 -0.011 0.000 0.930 228 K CB 0.146 32.638 32.500 -0.013 0.000 0.716 228 K HN 0.369 8.619 8.250 -0.000 0.000 0.444 229 D N 0.363 120.758 120.400 -0.007 0.000 2.317 229 D HA -0.057 4.583 4.640 -0.001 0.000 0.211 229 D C -0.067 176.242 176.300 0.014 0.000 0.966 229 D CA 0.672 54.674 54.000 0.002 0.000 0.876 229 D CB -0.162 40.637 40.800 -0.001 0.000 0.927 229 D HN 0.201 8.571 8.370 -0.000 0.000 0.519 230 N N 0.481 119.191 118.700 0.015 0.000 3.178 230 N HA 0.002 4.742 4.740 -0.001 0.000 0.300 230 N C 0.773 176.314 175.510 0.051 0.000 1.242 230 N CA -0.141 52.931 53.050 0.036 0.000 1.192 230 N CB 0.437 38.947 38.487 0.038 0.000 1.463 230 N HN -0.075 8.305 8.380 -0.000 0.000 0.539 231 S N -1.162 114.565 115.700 0.045 0.000 2.603 231 S HA 0.081 4.551 4.470 -0.001 0.000 0.220 231 S C 0.447 175.088 174.600 0.068 0.000 0.967 231 S CA -0.193 58.032 58.200 0.042 0.000 0.920 231 S CB -0.018 63.196 63.200 0.022 0.000 0.773 231 S HN 0.252 8.562 8.310 -0.000 0.000 0.529 232 N N 1.463 120.219 118.700 0.093 0.000 2.408 232 N HA 0.614 5.354 4.740 -0.001 0.000 0.280 232 N C -1.368 174.209 175.510 0.112 0.000 1.002 232 N CA -0.376 52.748 53.050 0.123 0.000 0.907 232 N CB 1.312 39.869 38.487 0.117 0.000 1.161 232 N HN 0.172 8.552 8.380 -0.000 0.000 0.488 233 I N 2.140 122.782 120.570 0.121 0.000 2.545 233 I HA 0.427 4.596 4.170 -0.001 0.000 0.292 233 I C -0.147 176.053 176.117 0.139 0.000 1.040 233 I CA -0.404 60.975 61.300 0.132 0.000 1.068 233 I CB 1.897 39.971 38.000 0.123 0.000 1.251 233 I HN 0.319 8.529 8.210 -0.000 0.000 0.424 234 I N 6.423 127.088 120.570 0.158 0.000 2.312 234 I HA 0.380 4.550 4.170 -0.001 0.000 0.290 234 I C -0.602 175.640 176.117 0.208 0.000 1.008 234 I CA -0.545 60.860 61.300 0.174 0.000 1.226 234 I CB 1.186 39.293 38.000 0.178 0.000 1.371 234 I HN 0.362 8.572 8.210 -0.000 0.000 0.468 235 L N 7.923 129.265 121.223 0.199 0.000 2.295 235 L HA 0.603 4.942 4.340 -0.001 0.000 0.285 235 L C -1.219 175.796 176.870 0.242 0.000 1.035 235 L CA -0.462 54.514 54.840 0.226 0.000 0.806 235 L CB 1.133 43.307 42.059 0.192 0.000 1.214 235 L HN 0.497 8.727 8.230 -0.000 0.000 0.426 236 L N 5.205 126.579 121.223 0.252 0.000 2.362 236 L HA 0.896 5.236 4.340 -0.001 0.000 0.275 236 L C 0.112 177.131 176.870 0.248 0.000 0.998 236 L CA -0.164 54.813 54.840 0.229 0.000 0.820 236 L CB 1.884 44.056 42.059 0.188 0.000 1.270 236 L HN 0.677 8.907 8.230 -0.000 0.000 0.415 237 G N 0.202 109.152 108.800 0.250 0.000 2.708 237 G HA2 0.460 4.420 3.960 -0.001 0.000 0.289 237 G HA3 0.460 4.420 3.960 -0.001 0.000 0.289 237 G C -0.764 174.236 174.900 0.167 0.000 1.416 237 G CA -0.205 45.038 45.100 0.239 0.000 0.829 237 G HN 0.615 8.905 8.290 -0.000 0.000 0.480 238 D N -1.862 118.646 120.400 0.180 0.000 2.498 238 D HA 0.089 4.729 4.640 -0.001 0.000 0.223 238 D C 0.947 177.433 176.300 0.310 0.000 1.125 238 D CA 0.476 54.599 54.000 0.204 0.000 0.835 238 D CB 0.686 41.571 40.800 0.141 0.000 1.086 238 D HN 0.474 8.844 8.370 -0.000 0.000 0.510 239 S N -0.349 115.512 115.700 0.270 0.000 2.621 239 S HA 0.199 4.669 4.470 -0.001 0.000 0.302 239 S C 1.093 175.823 174.600 0.217 0.000 1.093 239 S CA -0.494 57.874 58.200 0.279 0.000 1.017 239 S CB 2.747 66.052 63.200 0.175 0.000 1.077 239 S HN -0.178 8.132 8.310 -0.000 0.000 0.517 240 Q N 1.567 121.450 119.800 0.138 0.000 2.181 240 Q HA -0.064 4.276 4.340 -0.001 0.000 0.205 240 Q C 2.051 178.081 176.000 0.049 0.000 0.980 240 Q CA 1.981 57.791 55.803 0.011 0.000 0.862 240 Q CB -1.076 27.684 28.738 0.037 0.000 0.905 240 Q HN 0.980 9.250 8.270 -0.000 0.000 0.429 241 G N 0.978 109.858 108.800 0.133 0.000 2.443 241 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.219 241 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.219 241 G C 0.902 175.821 174.900 0.032 0.000 1.131 241 G CA 0.575 45.744 45.100 0.114 0.000 0.775 241 G HN 0.269 8.559 8.290 -0.000 0.000 0.547 242 D N 0.452 120.882 120.400 0.050 0.000 2.310 242 D HA -0.023 4.617 4.640 -0.001 0.000 0.212 242 D C 2.424 178.755 176.300 0.053 0.000 0.965 242 D CA 0.218 54.257 54.000 0.064 0.000 0.879 242 D CB 0.002 40.901 40.800 0.164 0.000 0.921 242 D HN 0.318 8.688 8.370 -0.000 0.000 0.510 243 L N 0.170 121.369 121.223 -0.039 0.000 2.362 243 L HA -0.082 4.258 4.340 -0.001 0.000 0.219 243 L C 1.358 178.212 176.870 -0.027 0.000 1.134 243 L CA 0.681 55.442 54.840 -0.131 0.000 0.807 243 L CB -0.040 41.851 42.059 -0.281 0.000 0.927 243 L HN -0.095 8.135 8.230 -0.000 0.000 0.447 247 D N 0.801 121.151 120.400 -0.082 0.000 2.309 247 D HA -0.022 4.618 4.640 -0.001 0.000 0.212 247 D C 1.742 177.931 176.300 -0.185 0.000 0.968 247 D CA 1.776 55.740 54.000 -0.059 0.000 0.882 247 D CB -0.068 40.791 40.800 0.098 0.000 0.918 247 D HN 0.545 8.915 8.370 -0.000 0.000 0.503 248 G N -0.146 108.428 108.800 -0.377 0.000 3.141 248 G HA2 0.116 4.076 3.960 -0.001 0.000 0.218 248 G HA3 0.116 4.076 3.960 -0.001 0.000 0.218 248 G C 0.460 175.020 174.900 -0.566 0.000 1.170 248 G CA -0.209 44.621 45.100 -0.449 0.000 0.769 248 G HN 0.072 8.362 8.290 -0.000 0.000 0.546 249 V N 1.695 121.287 119.914 -0.536 0.000 2.508 249 V HA 0.344 4.464 4.120 -0.001 0.000 0.281 249 V C 1.715 177.730 176.094 -0.132 0.000 1.041 249 V CA 0.139 62.234 62.300 -0.343 0.000 1.016 249 V CB 0.601 32.273 31.823 -0.251 0.000 0.984 249 V HN 0.392 8.582 8.190 -0.000 0.000 0.478 250 A N 5.730 128.520 122.820 -0.050 0.000 1.912 250 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 250 A C 0.817 178.385 177.584 -0.028 0.000 1.309 250 A CA 2.331 54.356 52.037 -0.020 0.000 0.726 250 A CB -0.693 18.311 19.000 0.006 0.000 0.840 250 A HN 1.090 9.240 8.150 -0.000 0.000 0.473 251 N N -2.401 116.287 118.700 -0.020 0.000 2.296 251 N HA 0.519 5.258 4.740 -0.001 0.000 0.294 251 N C -1.392 174.103 175.510 -0.025 0.000 1.033 251 N CA -0.785 52.250 53.050 -0.025 0.000 0.839 251 N CB 2.457 40.932 38.487 -0.020 0.000 1.395 251 N HN 0.115 8.495 8.380 -0.000 0.000 0.479 252 V N 1.816 121.708 119.914 -0.036 0.000 2.370 252 V HA 0.215 4.335 4.120 -0.001 0.000 0.283 252 V C 0.904 176.955 176.094 -0.072 0.000 1.023 252 V CA -0.417 61.861 62.300 -0.036 0.000 0.857 252 V CB 0.906 32.709 31.823 -0.034 0.000 0.985 252 V HN 0.954 9.144 8.190 -0.000 0.000 0.443 253 E N 3.039 123.189 120.200 -0.084 0.000 2.079 253 E HA 0.120 4.470 4.350 -0.001 0.000 0.191 253 E C -0.230 176.096 176.600 -0.456 0.000 0.961 253 E CA 0.403 56.664 56.400 -0.232 0.000 0.823 253 E CB 0.380 29.997 29.700 -0.138 0.000 0.789 253 E HN 0.847 9.207 8.360 -0.000 0.000 0.459 254 H N -0.785 118.293 119.070 0.014 0.000 2.679 254 H HA 0.488 5.044 4.556 -0.001 0.000 0.360 254 H C -1.241 174.105 175.328 0.029 0.000 1.105 254 H CA -0.591 55.469 56.048 0.019 0.000 1.196 254 H CB 2.305 32.078 29.762 0.019 0.000 1.636 254 H HN 0.071 8.351 8.280 -0.000 0.000 0.531 255 I N 3.291 123.945 120.570 0.140 0.000 2.533 255 I HA 0.353 4.523 4.170 -0.001 0.000 0.290 255 I C -1.761 174.422 176.117 0.109 0.000 1.056 255 I CA -1.083 60.281 61.300 0.107 0.000 1.057 255 I CB 1.386 39.425 38.000 0.064 0.000 1.240 255 I HN 0.426 8.636 8.210 -0.000 0.000 0.423 256 L N 7.958 129.252 121.223 0.118 0.000 2.313 256 L HA 0.531 4.871 4.340 -0.001 0.000 0.283 256 L C -1.098 175.855 176.870 0.138 0.000 1.013 256 L CA -0.150 54.762 54.840 0.120 0.000 0.816 256 L CB 1.301 43.433 42.059 0.122 0.000 1.236 256 L HN 0.479 8.709 8.230 -0.000 0.000 0.419 257 K N 6.314 126.803 120.400 0.148 0.000 2.293 257 K HA 0.568 4.888 4.320 -0.001 0.000 0.267 257 K C -1.197 175.596 176.600 0.321 0.000 1.010 257 K CA -0.235 56.185 56.287 0.222 0.000 0.875 257 K CB 1.355 33.921 32.500 0.111 0.000 1.106 257 K HN 0.503 8.753 8.250 -0.000 0.000 0.450 258 I N 1.976 122.701 120.570 0.258 0.000 2.382 258 I HA 0.307 4.477 4.170 -0.001 0.000 0.286 258 I C 0.289 176.248 176.117 -0.264 0.000 1.002 258 I CA -0.576 60.729 61.300 0.009 0.000 1.135 258 I CB 2.013 39.977 38.000 -0.059 0.000 1.288 258 I HN 0.603 8.813 8.210 -0.000 0.000 0.448 259 G N 5.326 113.701 108.800 -0.708 0.000 2.417 259 G HA2 0.483 4.443 3.960 -0.001 0.000 0.320 259 G HA3 0.483 4.443 3.960 -0.001 0.000 0.320 259 G C -1.247 173.296 174.900 -0.594 0.000 1.204 259 G CA -0.353 44.032 45.100 -1.193 0.000 0.923 259 G HN 0.365 8.655 8.290 -0.000 0.000 0.466 260 Y N 1.819 121.955 120.300 -0.274 0.000 2.486 260 Y HA 0.226 4.776 4.550 -0.001 0.000 0.348 260 Y C 0.398 176.210 175.900 -0.146 0.000 1.000 260 Y CA -0.450 57.547 58.100 -0.172 0.000 1.253 260 Y CB 1.518 39.894 38.460 -0.141 0.000 1.140 260 Y HN 0.369 8.649 8.280 -0.000 0.000 0.526 261 L N 5.133 126.277 121.223 -0.131 0.000 2.288 261 L HA 0.380 4.719 4.340 -0.001 0.000 0.283 261 L C 0.228 176.919 176.870 -0.298 0.000 1.072 261 L CA 0.183 54.821 54.840 -0.337 0.000 0.862 261 L CB 0.031 41.789 42.059 -0.503 0.000 1.245 261 L HN 0.566 8.796 8.230 -0.000 0.000 0.432 262 N N 2.354 120.834 118.700 -0.366 0.000 2.353 262 N HA 0.093 4.833 4.740 -0.001 0.000 0.185 262 N C -0.518 174.531 175.510 -0.768 0.000 1.098 262 N CA 0.201 52.887 53.050 -0.607 0.000 0.872 262 N CB 0.298 38.241 38.487 -0.906 0.000 0.970 262 N HN 0.678 9.058 8.380 -0.000 0.000 0.467 263 D N -1.180 118.929 120.400 -0.485 0.000 2.742 263 D HA 0.213 4.853 4.640 -0.001 0.000 0.262 263 D C -0.916 175.267 176.300 -0.194 0.000 1.240 263 D CA -0.537 53.263 54.000 -0.335 0.000 0.752 263 D CB 0.865 41.472 40.800 -0.321 0.000 1.290 263 D HN -0.139 8.231 8.370 -0.000 0.000 0.420 264 R N 0.867 121.313 120.500 -0.090 0.000 3.322 264 R HA -0.145 4.195 4.340 -0.001 0.000 0.253 264 R C 0.751 176.985 176.300 -0.110 0.000 0.987 264 R CA 0.522 56.587 56.100 -0.058 0.000 0.666 264 R CB -2.199 28.090 30.300 -0.018 0.000 1.072 264 R HN 0.278 8.548 8.270 -0.000 0.000 0.447 265 V N -0.050 119.793 119.914 -0.117 0.000 2.307 265 V HA -0.221 3.899 4.120 -0.001 0.000 0.245 265 V C 1.938 177.975 176.094 -0.094 0.000 1.045 265 V CA 2.303 64.520 62.300 -0.139 0.000 1.024 265 V CB -0.170 31.576 31.823 -0.127 0.000 0.651 265 V HN 0.316 8.506 8.190 -0.000 0.000 0.449 266 D N -0.464 119.902 120.400 -0.057 0.000 2.117 266 D HA -0.163 4.477 4.640 -0.001 0.000 0.198 266 D C 2.197 178.485 176.300 -0.021 0.000 0.982 266 D CA 1.284 55.264 54.000 -0.033 0.000 0.828 266 D CB -0.163 40.625 40.800 -0.021 0.000 0.967 266 D HN 0.529 8.899 8.370 -0.000 0.000 0.464 267 E N -0.029 120.160 120.200 -0.019 0.000 2.085 267 E HA -0.155 4.194 4.350 -0.001 0.000 0.194 267 E C 1.687 178.292 176.600 0.009 0.000 0.994 267 E CA 0.880 57.279 56.400 -0.002 0.000 0.801 267 E CB 0.026 29.728 29.700 0.003 0.000 0.743 267 E HN 0.272 8.632 8.360 -0.000 0.000 0.453 268 L N 0.198 121.407 121.223 -0.024 0.000 2.590 268 L HA 0.037 4.377 4.340 -0.001 0.000 0.227 268 L C 2.201 179.095 176.870 0.041 0.000 1.099 268 L CA -0.345 54.502 54.840 0.011 0.000 0.872 268 L CB 0.047 42.040 42.059 -0.110 0.000 1.088 268 L HN 0.171 8.401 8.230 -0.000 0.000 0.479 269 L N 0.858 122.067 121.223 -0.024 0.000 2.013 269 L HA -0.256 4.083 4.340 -0.001 0.000 0.212 269 L C 2.456 179.381 176.870 0.091 0.000 1.073 269 L CA 1.988 56.832 54.840 0.007 0.000 0.753 269 L CB -0.443 41.602 42.059 -0.022 0.000 0.890 269 L HN 0.303 8.533 8.230 -0.000 0.000 0.432 270 E N -0.935 119.312 120.200 0.078 0.000 2.072 270 E HA -0.294 4.056 4.350 -0.001 0.000 0.191 270 E C 2.163 178.834 176.600 0.117 0.000 0.985 270 E CA 1.159 57.608 56.400 0.082 0.000 0.801 270 E CB 0.005 29.738 29.700 0.054 0.000 0.750 270 E HN 0.281 8.641 8.360 -0.000 0.000 0.452 271 K N -0.179 120.313 120.400 0.153 0.000 2.057 271 K HA -0.103 4.217 4.320 -0.001 0.000 0.207 271 K C 0.301 177.025 176.600 0.205 0.000 1.049 271 K CA 0.876 57.259 56.287 0.161 0.000 0.931 271 K CB -0.544 32.059 32.500 0.170 0.000 0.714 271 K HN 0.032 8.282 8.250 -0.000 0.000 0.440 275 S N -1.150 114.551 115.700 0.001 0.000 2.502 275 S HA 0.199 4.669 4.470 -0.001 0.000 0.228 275 S C 0.645 175.144 174.600 -0.169 0.000 1.061 275 S CA -0.003 58.129 58.200 -0.114 0.000 0.935 275 S CB 0.399 63.473 63.200 -0.211 0.000 0.809 275 S HN 0.084 8.394 8.310 -0.000 0.000 0.510 276 Y N 2.694 122.958 120.300 -0.059 0.000 2.352 276 Y HA 0.398 4.947 4.550 -0.001 0.000 0.326 276 Y C 1.131 177.032 175.900 0.001 0.000 1.166 276 Y CA -0.759 57.320 58.100 -0.035 0.000 1.182 276 Y CB 0.793 39.228 38.460 -0.041 0.000 1.216 276 Y HN 0.023 8.303 8.280 -0.000 0.000 0.474 277 D N 1.546 122.057 120.400 0.185 0.000 2.103 277 D HA -0.034 4.606 4.640 -0.001 0.000 0.199 277 D C 0.096 176.468 176.300 0.119 0.000 0.978 277 D CA 1.635 55.710 54.000 0.126 0.000 0.829 277 D CB 0.346 41.213 40.800 0.112 0.000 0.981 277 D HN 0.335 8.705 8.370 -0.000 0.000 0.464 278 I N 1.175 121.809 120.570 0.106 0.000 2.433 278 I HA 0.197 4.367 4.170 -0.001 0.000 0.292 278 I C -0.603 175.484 176.117 -0.049 0.000 1.001 278 I CA -0.735 60.582 61.300 0.027 0.000 1.119 278 I CB 2.726 40.717 38.000 -0.015 0.000 1.289 278 I HN -0.362 7.848 8.210 -0.000 0.000 0.438 279 V N 7.162 127.035 119.914 -0.069 0.000 2.448 279 V HA 0.409 4.528 4.120 -0.001 0.000 0.295 279 V C -0.133 175.840 176.094 -0.201 0.000 1.025 279 V CA -0.545 61.683 62.300 -0.120 0.000 0.859 279 V CB 1.849 33.672 31.823 0.001 0.000 0.988 279 V HN 0.474 8.664 8.190 -0.000 0.000 0.431 280 L N 5.570 126.597 121.223 -0.327 0.000 2.313 280 L HA 0.456 4.796 4.340 -0.001 0.000 0.273 280 L C -0.423 176.324 176.870 -0.205 0.000 1.028 280 L CA -0.617 54.023 54.840 -0.334 0.000 0.871 280 L CB 1.518 43.209 42.059 -0.614 0.000 1.242 280 L HN 0.395 8.625 8.230 -0.000 0.000 0.434 281 V N 4.188 124.018 119.914 -0.141 0.000 2.427 281 V HA 0.104 4.224 4.120 -0.001 0.000 0.268 281 V C 0.728 176.773 176.094 -0.083 0.000 1.046 281 V CA -0.560 61.669 62.300 -0.118 0.000 0.970 281 V CB 0.369 32.130 31.823 -0.103 0.000 1.001 281 V HN 0.767 8.957 8.190 -0.000 0.000 0.476 282 K N 1.986 122.332 120.400 -0.091 0.000 3.148 282 K HA -0.213 4.106 4.320 -0.001 0.000 0.267 282 K C -0.006 176.595 176.600 0.001 0.000 0.996 282 K CA 0.677 56.924 56.287 -0.067 0.000 0.737 282 K CB -0.540 31.920 32.500 -0.067 0.000 1.308 282 K HN 0.847 9.097 8.250 -0.000 0.000 0.470 283 E N 1.222 121.456 120.200 0.057 0.000 2.176 283 E HA 0.181 4.530 4.350 -0.001 0.000 0.267 283 E C 0.003 176.688 176.600 0.143 0.000 0.893 283 E CA -0.568 55.891 56.400 0.098 0.000 0.761 283 E CB 0.994 30.748 29.700 0.091 0.000 1.133 283 E HN 0.112 8.472 8.360 -0.000 0.000 0.409 284 E N 2.164 122.417 120.200 0.088 0.000 2.499 284 E HA 0.153 4.503 4.350 -0.001 0.000 0.199 284 E C -0.385 176.237 176.600 0.037 0.000 1.016 284 E CA -0.002 56.426 56.400 0.047 0.000 0.933 284 E CB 0.386 30.133 29.700 0.078 0.000 1.050 284 E HN 0.467 8.827 8.360 -0.000 0.000 0.462 285 S N -0.782 114.961 115.700 0.072 0.000 2.715 285 S HA 0.565 5.035 4.470 -0.001 0.000 0.307 285 S C 0.311 174.958 174.600 0.078 0.000 1.119 285 S CA -0.736 57.500 58.200 0.059 0.000 0.937 285 S CB 1.168 64.402 63.200 0.058 0.000 1.150 285 S HN 0.075 8.385 8.310 -0.000 0.000 0.521 286 L N 0.984 122.233 121.223 0.042 0.000 2.910 286 L HA 0.340 4.679 4.340 -0.001 0.000 0.252 286 L C 2.089 178.985 176.870 0.043 0.000 1.195 286 L CA 0.006 54.856 54.840 0.017 0.000 1.003 286 L CB -0.075 41.917 42.059 -0.110 0.000 1.328 286 L HN 0.968 9.198 8.230 -0.000 0.000 0.540 287 E N -0.234 119.987 120.200 0.035 0.000 2.150 287 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 287 E C 1.754 178.358 176.600 0.008 0.000 0.985 287 E CA 1.249 57.670 56.400 0.034 0.000 0.814 287 E CB -0.087 29.630 29.700 0.029 0.000 0.752 287 E HN 0.268 8.628 8.360 -0.000 0.000 0.466 288 V N 1.461 121.326 119.914 -0.082 0.000 2.295 288 V HA -0.236 3.883 4.120 -0.001 0.000 0.246 288 V C 2.442 178.515 176.094 -0.035 0.000 1.049 288 V CA 1.597 63.775 62.300 -0.204 0.000 1.024 288 V CB -0.243 31.295 31.823 -0.475 0.000 0.648 288 V HN 0.301 8.491 8.190 -0.000 0.000 0.447 289 V N 0.599 120.521 119.914 0.014 0.000 2.307 289 V HA -0.233 3.887 4.120 -0.001 0.000 0.245 289 V C 2.362 178.564 176.094 0.181 0.000 1.045 289 V CA 2.340 64.714 62.300 0.123 0.000 1.024 289 V CB -0.639 31.280 31.823 0.160 0.000 0.651 289 V HN 0.610 8.800 8.190 -0.000 0.000 0.449 290 N N 0.970 119.780 118.700 0.183 0.000 2.094 290 N HA -0.171 4.569 4.740 -0.001 0.000 0.191 290 N C 2.103 177.688 175.510 0.125 0.000 1.023 290 N CA 1.979 55.129 53.050 0.167 0.000 0.857 290 N CB -0.661 37.917 38.487 0.152 0.000 1.013 290 N HN 0.730 9.110 8.380 -0.000 0.000 0.426 291 S N 0.385 116.163 115.700 0.130 0.000 2.399 291 S HA -0.042 4.428 4.470 -0.001 0.000 0.231 291 S C 2.057 176.749 174.600 0.153 0.000 1.022 291 S CA 0.659 58.949 58.200 0.149 0.000 0.983 291 S CB -0.495 62.828 63.200 0.206 0.000 0.803 291 S HN 0.285 8.595 8.310 -0.000 0.000 0.480 292 I N 1.239 121.914 120.570 0.175 0.000 2.333 292 I HA -0.045 4.124 4.170 -0.001 0.000 0.246 292 I C 2.394 178.555 176.117 0.073 0.000 1.106 292 I CA 0.806 62.189 61.300 0.139 0.000 1.411 292 I CB -0.377 37.728 38.000 0.175 0.000 1.082 292 I HN 0.251 8.461 8.210 -0.000 0.000 0.420 293 L N 0.374 121.642 121.223 0.075 0.000 2.081 293 L HA -0.270 4.070 4.340 -0.001 0.000 0.212 293 L C 2.679 179.540 176.870 -0.015 0.000 1.080 293 L CA 1.424 56.275 54.840 0.019 0.000 0.754 293 L CB -0.652 41.420 42.059 0.022 0.000 0.893 293 L HN 0.333 8.563 8.230 -0.000 0.000 0.433 294 Q N 0.535 120.347 119.800 0.020 0.000 2.046 294 Q HA -0.184 4.155 4.340 -0.001 0.000 0.200 294 Q C 2.157 178.152 176.000 -0.008 0.000 0.975 294 Q CA 1.590 57.400 55.803 0.010 0.000 0.836 294 Q CB -0.005 28.757 28.738 0.040 0.000 0.896 294 Q HN 0.180 8.450 8.270 -0.000 0.000 0.428 295 K N -0.415 119.986 120.400 0.001 0.000 2.097 295 K HA -0.077 4.242 4.320 -0.001 0.000 0.206 295 K C 2.109 178.686 176.600 -0.039 0.000 1.049 295 K CA 1.812 58.089 56.287 -0.017 0.000 0.933 295 K CB -0.519 31.969 32.500 -0.020 0.000 0.717 295 K HN 0.330 8.580 8.250 -0.000 0.000 0.442 296 T N 1.670 116.197 114.554 -0.046 0.000 2.894 296 T HA 0.079 4.428 4.350 -0.001 0.000 0.258 296 T C 1.402 176.036 174.700 -0.109 0.000 1.043 296 T CA 0.321 62.382 62.100 -0.064 0.000 1.141 296 T CB 0.028 68.868 68.868 -0.047 0.000 0.873 296 T HN -0.013 8.227 8.240 -0.000 0.000 0.449 297 L N 0.000 121.118 121.223 -0.175 0.000 2.949 297 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 297 L CA 0.000 54.616 54.840 -0.373 0.000 0.813 297 L CB 0.000 41.660 42.059 -0.665 0.000 0.961 297 L HN 0.000 8.230 8.230 -0.000 0.000 0.502