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 1ca3_1_A DATA FIRST_RESID 5 DATA SEQUENCE WGYGKHNGPE HWHKDFPIAK GERQSPVDID THTAKYDPSL KPLSVSYDQA DATA SEQUENCE TSLRILNNGH AFNVEFDDSQ DKAVLKGGPL DGTYRLIQFH FHWGSLDGQG DATA SEQUENCE SEHTVDKKKY AAELHLVHWN TXKYGDFGKA VQQPDGLAVL GIFLKVGSAK DATA SEQUENCE PGLQKVVDVL DSIKTKGKSA DFTNFDPRGL LPESLDYWTY PGSLTTPPLL DATA SEQUENCE ECVTWIVLKE PISVSSEQVL KFRKLNFNGE GEPEELMVDN WRPAQPLKNR DATA SEQUENCE QIKASF 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 5 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 5 W C 0.000 176.382 176.519 -0.228 0.000 1.175 5 W CA 0.000 57.237 57.345 -0.180 0.000 1.226 5 W CB 0.000 29.179 29.460 -0.468 0.000 1.126 6 G N 0.414 109.237 108.800 0.039 0.000 2.588 6 G HA2 0.505 4.425 3.960 -0.066 0.000 0.281 6 G HA3 0.505 4.425 3.960 -0.066 0.000 0.281 6 G C -2.020 172.778 174.900 -0.170 0.000 1.223 6 G CA -0.418 44.506 45.100 -0.295 0.000 0.871 6 G HN 0.485 8.775 8.290 -0.000 0.000 0.492 7 Y N 0.631 120.902 120.300 -0.049 0.000 2.588 7 Y HA 0.435 4.937 4.550 -0.079 0.000 0.247 7 Y C 1.679 177.523 175.900 -0.094 0.000 1.157 7 Y CA -0.135 57.958 58.100 -0.012 0.000 1.215 7 Y CB 0.961 39.398 38.460 -0.038 0.000 1.245 7 Y HN 0.676 8.956 8.280 -0.000 0.000 0.534 8 G N 0.193 108.982 108.800 -0.018 0.000 2.588 8 G HA2 0.089 4.009 3.960 -0.066 0.000 0.278 8 G HA3 0.089 4.009 3.960 -0.066 0.000 0.278 8 G C 0.920 175.804 174.900 -0.027 0.000 1.307 8 G CA -0.224 44.867 45.100 -0.014 0.000 1.016 8 G HN 0.093 8.383 8.290 -0.000 0.000 0.503 9 K N -0.977 119.390 120.400 -0.055 0.000 2.026 9 K HA -0.089 4.192 4.320 -0.066 0.000 0.208 9 K C 1.974 178.414 176.600 -0.267 0.000 1.048 9 K CA 1.718 57.902 56.287 -0.172 0.000 0.929 9 K CB -0.394 31.918 32.500 -0.314 0.000 0.713 9 K HN 0.609 8.859 8.250 -0.000 0.000 0.439 10 H N -1.034 117.969 119.070 -0.112 0.000 2.551 10 H HA 0.179 4.694 4.556 -0.069 0.000 0.271 10 H C 0.053 175.012 175.328 -0.615 0.000 0.984 10 H CA 0.566 56.427 56.048 -0.311 0.000 1.164 10 H CB 0.230 29.896 29.762 -0.160 0.000 1.437 10 H HN 0.393 8.673 8.280 -0.000 0.000 0.550 11 N N -1.024 117.511 118.700 -0.275 0.000 2.036 11 N HA 0.065 4.765 4.740 -0.066 0.000 0.228 11 N C 0.805 176.420 175.510 0.175 0.000 1.368 11 N CA 0.229 53.215 53.050 -0.107 0.000 0.846 11 N CB -0.202 38.270 38.487 -0.025 0.000 1.145 11 N HN 0.133 8.513 8.380 -0.000 0.000 0.502 12 G N 1.628 110.487 108.800 0.098 0.000 2.750 12 G HA2 0.216 4.136 3.960 -0.066 0.000 0.250 12 G HA3 0.216 4.136 3.960 -0.066 0.000 0.250 12 G C -1.472 173.242 174.900 -0.311 0.000 1.230 12 G CA -0.744 44.373 45.100 0.028 0.000 0.883 12 G HN -0.029 8.261 8.290 -0.000 0.000 0.573 13 P HA -0.117 4.303 4.420 -0.000 0.000 0.220 13 P C 1.655 178.440 177.300 -0.858 0.000 1.144 13 P CA 1.360 63.364 63.100 -1.827 0.000 0.800 13 P CB 0.189 31.102 31.700 -1.312 0.000 0.772 14 E N -1.599 118.355 120.200 -0.410 0.000 2.478 14 E HA -0.177 4.133 4.350 -0.066 0.000 0.198 14 E C 1.185 177.692 176.600 -0.155 0.000 1.046 14 E CA 1.186 57.445 56.400 -0.234 0.000 0.870 14 E CB -1.042 28.527 29.700 -0.217 0.000 0.818 14 E HN 0.499 8.859 8.360 -0.000 0.000 0.527 15 H N -1.422 117.613 119.070 -0.058 0.000 2.729 15 H HA 0.070 4.588 4.556 -0.064 0.000 0.263 15 H C 1.011 176.448 175.328 0.182 0.000 0.961 15 H CA 0.038 56.135 56.048 0.080 0.000 1.217 15 H CB 0.098 29.927 29.762 0.111 0.000 1.447 15 H HN 0.178 8.458 8.280 -0.000 0.000 0.496 16 W N 2.047 123.444 121.300 0.162 0.000 2.387 16 W HA -0.139 4.484 4.660 -0.061 0.000 0.272 16 W C 2.294 178.900 176.519 0.146 0.000 1.224 16 W CA 1.226 58.672 57.345 0.168 0.000 1.210 16 W CB -1.285 28.219 29.460 0.073 0.000 1.125 16 W HN 0.566 8.746 8.180 -0.000 0.000 0.572 17 H N -0.311 118.920 119.070 0.269 0.000 2.456 17 H HA -0.049 4.468 4.556 -0.066 0.000 0.296 17 H C 1.803 177.193 175.328 0.102 0.000 1.079 17 H CA 1.964 58.105 56.048 0.155 0.000 1.322 17 H CB -0.614 29.188 29.762 0.067 0.000 1.388 17 H HN 0.029 8.309 8.280 -0.000 0.000 0.538 18 K N -0.046 120.016 120.400 -0.563 0.000 2.097 18 K HA -0.094 4.186 4.320 -0.066 0.000 0.205 18 K C 1.272 177.736 176.600 -0.228 0.000 1.050 18 K CA 1.469 57.523 56.287 -0.388 0.000 0.938 18 K CB 0.198 32.489 32.500 -0.348 0.000 0.718 18 K HN 0.433 8.683 8.250 -0.000 0.000 0.442 19 D N -0.796 119.456 120.400 -0.247 0.000 2.324 19 D HA 0.035 4.635 4.640 -0.066 0.000 0.212 19 D C -0.241 175.499 176.300 -0.933 0.000 0.984 19 D CA 0.744 54.379 54.000 -0.608 0.000 0.885 19 D CB 0.495 40.868 40.800 -0.712 0.000 0.996 19 D HN 0.040 8.410 8.370 -0.000 0.000 0.505 20 F N 0.299 120.239 119.950 -0.016 0.000 2.564 20 F HA 0.313 4.799 4.527 -0.068 0.000 0.361 20 F C -1.871 173.955 175.800 0.042 0.000 1.161 20 F CA -2.005 55.986 58.000 -0.014 0.000 1.198 20 F CB 1.777 40.733 39.000 -0.074 0.000 1.424 20 F HN -0.242 8.058 8.300 -0.000 0.000 0.517 21 P HA -0.239 4.181 4.420 -0.000 0.000 0.217 21 P C 1.927 179.308 177.300 0.135 0.000 1.148 21 P CA 1.338 64.514 63.100 0.127 0.000 0.834 21 P CB 0.350 32.091 31.700 0.069 0.000 0.783 22 I N -1.360 119.290 120.570 0.135 0.000 3.083 22 I HA -0.161 3.970 4.170 -0.066 0.000 0.273 22 I C 1.850 178.037 176.117 0.117 0.000 1.297 22 I CA 0.547 61.911 61.300 0.108 0.000 1.452 22 I CB -0.328 37.728 38.000 0.093 0.000 1.078 22 I HN -0.132 8.078 8.210 -0.000 0.000 0.484 23 A N 0.712 123.629 122.820 0.162 0.000 1.997 23 A HA -0.250 4.030 4.320 -0.066 0.000 0.221 23 A C 2.085 179.728 177.584 0.099 0.000 1.172 23 A CA 1.802 53.940 52.037 0.168 0.000 0.645 23 A CB -0.413 18.738 19.000 0.251 0.000 0.813 23 A HN 0.546 8.696 8.150 -0.000 0.000 0.454 24 K N -0.222 120.229 120.400 0.084 0.000 2.437 24 K HA 0.238 4.518 4.320 -0.066 0.000 0.205 24 K C 0.966 177.587 176.600 0.035 0.000 1.026 24 K CA 0.097 56.406 56.287 0.035 0.000 1.153 24 K CB 0.419 32.922 32.500 0.005 0.000 0.863 24 K HN 0.401 8.651 8.250 -0.000 0.000 0.502 25 G N 1.249 110.079 108.800 0.051 0.000 2.712 25 G HA2 -0.092 3.828 3.960 -0.066 0.000 0.258 25 G HA3 -0.092 3.828 3.960 -0.066 0.000 0.258 25 G C 0.589 175.516 174.900 0.044 0.000 1.241 25 G CA -0.295 44.835 45.100 0.051 0.000 0.923 25 G HN 0.087 8.377 8.290 -0.000 0.000 0.548 26 E N -0.464 119.765 120.200 0.048 0.000 2.299 26 E HA -0.033 4.277 4.350 -0.066 0.000 0.193 26 E C 1.612 178.254 176.600 0.070 0.000 0.998 26 E CA 0.556 56.985 56.400 0.049 0.000 0.851 26 E CB 0.169 29.896 29.700 0.045 0.000 0.795 26 E HN 0.682 9.042 8.360 -0.000 0.000 0.492 27 R N 0.607 121.161 120.500 0.090 0.000 2.795 27 R HA 0.279 4.580 4.340 -0.066 0.000 0.320 27 R C -0.096 176.303 176.300 0.164 0.000 1.223 27 R CA -0.399 55.784 56.100 0.138 0.000 1.305 27 R CB 0.353 30.740 30.300 0.145 0.000 1.318 27 R HN -0.223 8.047 8.270 -0.000 0.000 0.636 28 Q N 0.971 120.848 119.800 0.128 0.000 2.299 28 Q HA 0.332 4.632 4.340 -0.066 0.000 0.246 28 Q C -0.449 175.625 176.000 0.124 0.000 0.935 28 Q CA 0.039 55.914 55.803 0.119 0.000 0.887 28 Q CB 2.016 30.799 28.738 0.073 0.000 1.223 28 Q HN 0.330 8.600 8.270 -0.000 0.000 0.439 29 S N 2.728 118.492 115.700 0.106 0.000 2.536 29 S HA 0.667 5.097 4.470 -0.066 0.000 0.298 29 S C -2.347 172.177 174.600 -0.127 0.000 1.083 29 S CA -1.149 57.041 58.200 -0.017 0.000 0.995 29 S CB 2.029 65.173 63.200 -0.093 0.000 1.058 29 S HN 0.440 8.749 8.310 -0.000 0.000 0.488 30 P HA 0.631 5.051 4.420 -0.000 0.000 0.284 30 P C -1.046 176.040 177.300 -0.356 0.000 1.287 30 P CA -0.589 62.110 63.100 -0.669 0.000 0.824 30 P CB 1.004 32.149 31.700 -0.925 0.000 1.180 31 V N -3.662 116.052 119.914 -0.333 0.000 3.181 31 V HA 0.595 4.675 4.120 -0.066 0.000 0.308 31 V C -1.085 174.937 176.094 -0.120 0.000 1.214 31 V CA -1.081 61.089 62.300 -0.217 0.000 1.053 31 V CB 1.555 33.169 31.823 -0.348 0.000 1.069 31 V HN 0.442 8.632 8.190 -0.000 0.000 0.441 32 D N 0.704 121.020 120.400 -0.139 0.000 2.264 32 D HA 0.459 5.059 4.640 -0.066 0.000 0.250 32 D C -0.365 175.821 176.300 -0.189 0.000 1.113 32 D CA -0.181 53.745 54.000 -0.122 0.000 0.871 32 D CB 0.970 41.705 40.800 -0.109 0.000 1.167 32 D HN 0.660 9.030 8.370 -0.000 0.000 0.447 33 I N 3.512 123.948 120.570 -0.223 0.000 2.287 33 I HA 0.118 4.248 4.170 -0.066 0.000 0.290 33 I C 0.039 175.923 176.117 -0.388 0.000 1.069 33 I CA -0.571 60.481 61.300 -0.414 0.000 1.237 33 I CB 0.799 38.372 38.000 -0.712 0.000 1.418 33 I HN 0.350 8.560 8.210 -0.000 0.000 0.481 34 D N 5.169 125.397 120.400 -0.287 0.000 2.352 34 D HA 0.018 4.618 4.640 -0.066 0.000 0.245 34 D C 1.414 177.576 176.300 -0.231 0.000 1.224 34 D CA -0.165 53.722 54.000 -0.188 0.000 0.879 34 D CB 1.258 41.999 40.800 -0.098 0.000 1.057 34 D HN 0.625 8.995 8.370 -0.000 0.000 0.491 35 T N 1.099 115.488 114.554 -0.275 0.000 3.072 35 T HA -0.101 4.209 4.350 -0.066 0.000 0.266 35 T C 1.249 175.760 174.700 -0.316 0.000 1.127 35 T CA 0.869 62.816 62.100 -0.255 0.000 1.107 35 T CB -0.158 68.590 68.868 -0.201 0.000 0.910 35 T HN 0.445 8.685 8.240 -0.000 0.000 0.513 36 H N 0.188 119.258 119.070 0.000 0.000 2.520 36 H HA 0.220 4.736 4.556 -0.066 0.000 0.279 36 H C 1.862 177.189 175.328 -0.003 0.000 0.990 36 H CA 1.126 57.178 56.048 0.007 0.000 1.288 36 H CB 0.076 29.839 29.762 0.000 0.000 1.446 36 H HN 0.381 8.661 8.280 -0.000 0.000 0.538 37 T N 0.764 115.358 114.554 0.066 0.000 3.065 37 T HA 0.260 4.570 4.350 -0.066 0.000 0.252 37 T C 0.999 175.701 174.700 0.004 0.000 1.099 37 T CA 0.137 62.253 62.100 0.028 0.000 1.063 37 T CB -0.084 68.787 68.868 0.006 0.000 0.948 37 T HN 0.310 8.550 8.240 -0.000 0.000 0.506 38 A N 1.998 124.808 122.820 -0.016 0.000 2.531 38 A HA 0.343 4.623 4.320 -0.066 0.000 0.236 38 A C 0.503 178.107 177.584 0.033 0.000 1.062 38 A CA 0.155 52.192 52.037 -0.000 0.000 0.760 38 A CB 0.205 19.211 19.000 0.010 0.000 0.995 38 A HN 0.018 8.168 8.150 -0.000 0.000 0.501 39 K N 2.377 122.801 120.400 0.039 0.000 2.316 39 K HA 0.185 4.465 4.320 -0.066 0.000 0.267 39 K C -1.315 175.290 176.600 0.008 0.000 1.025 39 K CA -0.543 55.763 56.287 0.032 0.000 0.896 39 K CB 0.600 33.111 32.500 0.018 0.000 1.124 39 K HN 0.645 8.895 8.250 -0.000 0.000 0.451 40 Y N 3.636 123.888 120.300 -0.079 0.000 2.650 40 Y HA 0.020 4.530 4.550 -0.067 0.000 0.342 40 Y C -0.299 175.558 175.900 -0.072 0.000 1.110 40 Y CA -0.160 57.866 58.100 -0.124 0.000 1.438 40 Y CB 0.209 38.593 38.460 -0.127 0.000 1.181 40 Y HN 0.451 8.731 8.280 -0.000 0.000 0.526 41 D N 9.136 129.110 120.400 -0.710 0.000 2.392 41 D HA 0.284 4.884 4.640 -0.066 0.000 0.228 41 D C -2.150 173.652 176.300 -0.830 0.000 1.074 41 D CA -2.698 50.958 54.000 -0.573 0.000 0.838 41 D CB 1.769 42.415 40.800 -0.258 0.000 1.067 41 D HN 0.342 8.712 8.370 -0.000 0.000 0.511 42 P HA -0.006 4.414 4.420 -0.000 0.000 0.241 42 P C 0.703 177.896 177.300 -0.179 0.000 1.191 42 P CA 0.346 63.202 63.100 -0.408 0.000 0.771 42 P CB 0.116 31.749 31.700 -0.112 0.000 0.929 43 S N -1.651 113.953 115.700 -0.160 0.000 2.575 43 S HA 0.115 4.545 4.470 -0.066 0.000 0.215 43 S C 0.672 175.239 174.600 -0.055 0.000 0.966 43 S CA -0.274 57.881 58.200 -0.075 0.000 0.911 43 S CB -0.760 62.408 63.200 -0.053 0.000 0.780 43 S HN -0.094 8.216 8.310 -0.000 0.000 0.514 44 L N 3.069 124.239 121.223 -0.088 0.000 2.361 44 L HA 0.389 4.690 4.340 -0.066 0.000 0.278 44 L C 0.234 177.118 176.870 0.023 0.000 1.113 44 L CA 0.270 55.099 54.840 -0.019 0.000 0.849 44 L CB 0.414 42.433 42.059 -0.066 0.000 1.155 44 L HN 0.161 8.391 8.230 -0.000 0.000 0.452 45 K N 5.295 125.735 120.400 0.068 0.000 2.107 45 K HA 0.400 4.680 4.320 -0.066 0.000 0.251 45 K C -2.214 174.458 176.600 0.120 0.000 1.012 45 K CA -1.474 54.849 56.287 0.061 0.000 0.920 45 K CB -0.010 32.507 32.500 0.028 0.000 1.033 45 K HN 0.372 8.622 8.250 -0.000 0.000 0.478 46 P HA 0.017 4.437 4.420 -0.000 0.000 0.271 46 P C -0.474 176.858 177.300 0.054 0.000 1.216 46 P CA -0.093 63.065 63.100 0.096 0.000 0.776 46 P CB 0.493 32.217 31.700 0.041 0.000 0.881 47 L N 1.579 122.833 121.223 0.051 0.000 2.461 47 L HA 0.178 4.478 4.340 -0.066 0.000 0.272 47 L C 0.953 177.752 176.870 -0.117 0.000 1.197 47 L CA 0.434 55.206 54.840 -0.112 0.000 0.836 47 L CB 0.512 42.457 42.059 -0.190 0.000 1.105 47 L HN 0.427 8.657 8.230 -0.000 0.000 0.477 48 S N 2.253 117.852 115.700 -0.168 0.000 2.664 48 S HA 0.418 4.849 4.470 -0.066 0.000 0.262 48 S C -0.819 173.640 174.600 -0.236 0.000 1.229 48 S CA -0.611 57.490 58.200 -0.164 0.000 1.151 48 S CB 0.692 63.819 63.200 -0.123 0.000 1.054 48 S HN 0.252 8.562 8.310 -0.000 0.000 0.483 49 V N 4.346 124.087 119.914 -0.289 0.000 2.383 49 V HA 0.520 4.600 4.120 -0.066 0.000 0.275 49 V C 0.020 175.863 176.094 -0.419 0.000 1.036 49 V CA -0.421 61.588 62.300 -0.485 0.000 0.889 49 V CB 1.550 33.034 31.823 -0.566 0.000 0.985 49 V HN 0.823 9.013 8.190 -0.000 0.000 0.459 50 S N 4.916 120.369 115.700 -0.411 0.000 2.399 50 S HA 0.449 4.879 4.470 -0.066 0.000 0.215 50 S C -0.514 174.064 174.600 -0.036 0.000 1.456 50 S CA -0.358 57.730 58.200 -0.188 0.000 1.199 50 S CB 0.197 63.340 63.200 -0.095 0.000 1.063 50 S HN 0.666 8.976 8.310 -0.000 0.000 0.476 51 Y N 1.435 121.715 120.300 -0.032 0.000 2.612 51 Y HA 0.134 4.646 4.550 -0.063 0.000 0.250 51 Y C 1.766 177.661 175.900 -0.008 0.000 1.175 51 Y CA -1.533 56.552 58.100 -0.025 0.000 1.205 51 Y CB -0.232 38.205 38.460 -0.039 0.000 1.201 51 Y HN 0.536 8.816 8.280 -0.000 0.000 0.532 52 D N -0.134 120.335 120.400 0.115 0.000 2.149 52 D HA -0.239 4.361 4.640 -0.066 0.000 0.198 52 D C 1.208 177.550 176.300 0.071 0.000 0.990 52 D CA 1.125 55.165 54.000 0.067 0.000 0.839 52 D CB 0.031 40.848 40.800 0.028 0.000 0.948 52 D HN 0.259 8.629 8.370 -0.000 0.000 0.460 53 Q N 0.502 120.350 119.800 0.081 0.000 2.212 53 Q HA 0.378 4.679 4.340 -0.066 0.000 0.213 53 Q C -0.329 175.734 176.000 0.104 0.000 0.874 53 Q CA -0.287 55.562 55.803 0.076 0.000 0.965 53 Q CB 0.315 29.090 28.738 0.060 0.000 1.074 53 Q HN 0.360 8.630 8.270 -0.000 0.000 0.473 54 A N -0.220 122.682 122.820 0.136 0.000 2.520 54 A HA 0.332 4.612 4.320 -0.066 0.000 0.235 54 A C -0.116 177.601 177.584 0.221 0.000 1.065 54 A CA 0.379 52.533 52.037 0.194 0.000 0.764 54 A CB 0.368 19.489 19.000 0.201 0.000 1.002 54 A HN 0.245 8.395 8.150 -0.000 0.000 0.502 55 T N 2.105 116.843 114.554 0.307 0.000 3.038 55 T HA 0.412 4.722 4.350 -0.066 0.000 0.344 55 T C -0.146 174.625 174.700 0.119 0.000 1.054 55 T CA -0.149 62.064 62.100 0.189 0.000 1.092 55 T CB 0.408 69.354 68.868 0.130 0.000 1.031 55 T HN 0.901 9.141 8.240 -0.000 0.000 0.482 56 S N 3.183 118.842 115.700 -0.068 0.000 2.545 56 S HA 0.536 4.966 4.470 -0.066 0.000 0.275 56 S C 0.929 175.421 174.600 -0.181 0.000 1.299 56 S CA -0.839 57.111 58.200 -0.416 0.000 1.048 56 S CB 1.146 64.126 63.200 -0.368 0.000 0.938 56 S HN 0.557 8.867 8.310 -0.000 0.000 0.496 57 L N 1.040 122.156 121.223 -0.179 0.000 2.519 57 L HA 0.381 4.682 4.340 -0.066 0.000 0.194 57 L C 0.698 177.553 176.870 -0.024 0.000 1.072 57 L CA 0.018 54.816 54.840 -0.070 0.000 0.845 57 L CB 0.007 42.039 42.059 -0.044 0.000 1.138 57 L HN 0.819 9.049 8.230 -0.000 0.000 0.487 58 R N -0.873 119.602 120.500 -0.041 0.000 2.728 58 R HA 0.529 4.830 4.340 -0.066 0.000 0.274 58 R C -1.441 174.785 176.300 -0.124 0.000 1.030 58 R CA -0.616 55.479 56.100 -0.009 0.000 0.876 58 R CB 1.392 31.675 30.300 -0.029 0.000 1.259 58 R HN -0.052 8.218 8.270 -0.000 0.000 0.468 59 I N 1.415 121.869 120.570 -0.193 0.000 2.474 59 I HA 0.640 4.770 4.170 -0.066 0.000 0.294 59 I C -1.581 174.419 176.117 -0.196 0.000 1.005 59 I CA -1.470 59.627 61.300 -0.337 0.000 1.113 59 I CB 1.787 39.368 38.000 -0.699 0.000 1.289 59 I HN 0.667 8.877 8.210 -0.000 0.000 0.436 60 L N 7.988 129.134 121.223 -0.129 0.000 2.445 60 L HA 0.517 4.817 4.340 -0.066 0.000 0.262 60 L C -1.447 175.410 176.870 -0.022 0.000 0.974 60 L CA -0.364 54.429 54.840 -0.077 0.000 0.822 60 L CB 1.878 43.896 42.059 -0.069 0.000 1.339 60 L HN 0.597 8.827 8.230 -0.000 0.000 0.409 61 N N 2.584 121.263 118.700 -0.035 0.000 2.457 61 N HA 0.212 4.912 4.740 -0.066 0.000 0.250 61 N C -0.245 175.226 175.510 -0.066 0.000 0.982 61 N CA -0.224 52.823 53.050 -0.005 0.000 0.941 61 N CB 0.895 39.372 38.487 -0.017 0.000 1.120 61 N HN 0.781 9.161 8.380 -0.000 0.000 0.505 62 N N 3.163 121.801 118.700 -0.103 0.000 2.280 62 N HA 0.162 4.862 4.740 -0.066 0.000 0.192 62 N C 1.049 176.244 175.510 -0.525 0.000 1.109 62 N CA 0.483 53.400 53.050 -0.222 0.000 0.855 62 N CB 0.201 38.608 38.487 -0.135 0.000 0.974 62 N HN 0.675 9.055 8.380 -0.000 0.000 0.482 63 G N 0.030 108.595 108.800 -0.391 0.000 2.232 63 G HA2 -0.272 3.648 3.960 -0.066 0.000 0.226 63 G HA3 -0.272 3.648 3.960 -0.066 0.000 0.226 63 G C 0.592 175.393 174.900 -0.165 0.000 0.996 63 G CA 0.409 45.301 45.100 -0.346 0.000 0.626 63 G HN 0.579 8.869 8.290 -0.000 0.000 0.509 64 H N -0.170 118.994 119.070 0.156 0.000 3.241 64 H HA 0.695 5.256 4.556 0.008 0.000 0.260 64 H C 1.092 176.550 175.328 0.216 0.000 1.084 64 H CA 1.099 57.313 56.048 0.278 0.000 1.203 64 H CB 0.727 30.625 29.762 0.227 0.000 1.524 64 H HN 1.457 9.737 8.280 -0.000 0.000 0.521 65 A N 0.967 123.887 122.820 0.167 0.000 2.361 65 A HA 0.417 4.697 4.320 -0.066 0.000 0.297 65 A C -1.893 175.786 177.584 0.159 0.000 1.036 65 A CA -0.824 51.297 52.037 0.140 0.000 0.589 65 A CB 0.008 19.023 19.000 0.024 0.000 1.418 65 A HN 0.133 8.283 8.150 -0.000 0.000 0.539 66 F N 0.350 120.392 119.950 0.153 0.000 2.480 66 F HA 0.811 5.285 4.527 -0.089 0.000 0.329 66 F C -0.365 175.447 175.800 0.021 0.000 1.091 66 F CA -0.890 57.107 58.000 -0.004 0.000 0.972 66 F CB 1.386 40.313 39.000 -0.122 0.000 1.150 66 F HN 0.527 8.827 8.300 -0.000 0.000 0.467 67 N N 1.787 120.513 118.700 0.043 0.000 2.284 67 N HA 0.550 5.250 4.740 -0.066 0.000 0.300 67 N C -1.794 173.611 175.510 -0.175 0.000 1.047 67 N CA -1.020 51.995 53.050 -0.057 0.000 0.821 67 N CB 2.861 41.322 38.487 -0.043 0.000 1.337 67 N HN 0.432 8.812 8.380 -0.000 0.000 0.482 68 V N 2.147 121.827 119.914 -0.391 0.000 2.318 68 V HA 0.185 4.265 4.120 -0.066 0.000 0.271 68 V C 0.033 175.915 176.094 -0.352 0.000 1.030 68 V CA -0.465 61.477 62.300 -0.598 0.000 0.844 68 V CB 0.639 31.766 31.823 -1.159 0.000 1.015 68 V HN 0.643 8.833 8.190 -0.000 0.000 0.460 69 E N 3.861 123.908 120.200 -0.256 0.000 2.313 69 E HA 0.613 4.923 4.350 -0.066 0.000 0.272 69 E C -1.218 175.263 176.600 -0.198 0.000 1.038 69 E CA -0.198 56.146 56.400 -0.093 0.000 0.863 69 E CB 1.344 31.005 29.700 -0.065 0.000 1.060 69 E HN 0.510 8.870 8.360 -0.000 0.000 0.402 70 F N 0.282 120.233 119.950 0.002 0.000 2.620 70 F HA 0.186 4.673 4.527 -0.066 0.000 0.320 70 F C -0.060 175.771 175.800 0.053 0.000 1.069 70 F CA -1.129 56.895 58.000 0.040 0.000 0.953 70 F CB 1.367 40.389 39.000 0.037 0.000 1.322 70 F HN 0.275 8.575 8.300 -0.000 0.000 0.479 71 D N 1.379 121.939 120.400 0.266 0.000 2.365 71 D HA 0.129 4.730 4.640 -0.066 0.000 0.237 71 D C -0.403 176.017 176.300 0.201 0.000 1.190 71 D CA -0.239 53.870 54.000 0.182 0.000 0.867 71 D CB 0.332 41.211 40.800 0.131 0.000 1.050 71 D HN 0.504 8.874 8.370 -0.000 0.000 0.491 72 D N 1.423 121.957 120.400 0.222 0.000 2.894 72 D HA -0.005 4.595 4.640 -0.066 0.000 0.273 72 D C 0.512 176.975 176.300 0.272 0.000 1.328 72 D CA -0.339 53.812 54.000 0.253 0.000 0.845 72 D CB -0.200 40.855 40.800 0.426 0.000 1.072 72 D HN 0.177 8.547 8.370 -0.000 0.000 0.484 73 S N -1.121 114.690 115.700 0.186 0.000 2.517 73 S HA 0.110 4.540 4.470 -0.066 0.000 0.214 73 S C 0.666 175.339 174.600 0.122 0.000 0.991 73 S CA -0.120 58.176 58.200 0.161 0.000 0.906 73 S CB 0.183 63.452 63.200 0.116 0.000 0.789 73 S HN 0.293 8.603 8.310 -0.000 0.000 0.513 74 Q N 0.093 119.950 119.800 0.095 0.000 2.511 74 Q HA 0.342 4.642 4.340 -0.066 0.000 0.289 74 Q C -2.023 173.993 176.000 0.026 0.000 1.021 74 Q CA -0.902 54.934 55.803 0.054 0.000 0.785 74 Q CB 0.942 29.709 28.738 0.049 0.000 1.472 74 Q HN 0.007 8.277 8.270 -0.000 0.000 0.411 75 D N 1.548 121.947 120.400 -0.001 0.000 2.600 75 D HA 0.080 4.680 4.640 -0.066 0.000 0.226 75 D C 0.261 176.568 176.300 0.011 0.000 1.119 75 D CA 0.469 54.456 54.000 -0.023 0.000 1.051 75 D CB 0.353 41.130 40.800 -0.039 0.000 1.106 75 D HN 0.278 8.648 8.370 -0.000 0.000 0.491 76 K N 0.406 120.826 120.400 0.034 0.000 2.121 76 K HA 0.237 4.517 4.320 -0.066 0.000 0.203 76 K C 0.626 177.279 176.600 0.087 0.000 1.041 76 K CA 0.333 56.658 56.287 0.063 0.000 0.969 76 K CB 0.564 33.115 32.500 0.086 0.000 0.799 76 K HN 0.145 8.395 8.250 -0.000 0.000 0.456 77 A N 2.194 125.069 122.820 0.092 0.000 2.483 77 A HA 0.423 4.703 4.320 -0.066 0.000 0.308 77 A C -0.454 177.254 177.584 0.207 0.000 1.291 77 A CA -0.677 51.479 52.037 0.198 0.000 0.774 77 A CB 0.455 19.455 19.000 0.000 0.000 1.134 77 A HN 0.069 8.219 8.150 -0.000 0.000 0.471 78 V N 0.896 120.919 119.914 0.181 0.000 2.919 78 V HA 0.813 4.893 4.120 -0.066 0.000 0.316 78 V C -0.656 175.461 176.094 0.037 0.000 1.077 78 V CA -1.078 61.283 62.300 0.101 0.000 0.977 78 V CB 1.920 33.740 31.823 -0.004 0.000 1.039 78 V HN 0.698 8.888 8.190 -0.000 0.000 0.441 79 L N 3.785 124.995 121.223 -0.022 0.000 2.356 79 L HA 0.722 5.022 4.340 -0.066 0.000 0.277 79 L C -0.446 176.335 176.870 -0.148 0.000 0.996 79 L CA -0.423 54.286 54.840 -0.218 0.000 0.822 79 L CB 1.551 43.268 42.059 -0.571 0.000 1.256 79 L HN 1.155 9.385 8.230 -0.000 0.000 0.413 80 K N 3.048 123.344 120.400 -0.173 0.000 2.367 80 K HA 0.849 5.129 4.320 -0.066 0.000 0.272 80 K C -0.103 176.407 176.600 -0.150 0.000 1.046 80 K CA -0.170 56.049 56.287 -0.112 0.000 0.895 80 K CB 1.666 34.131 32.500 -0.059 0.000 1.512 80 K HN 0.649 8.899 8.250 -0.000 0.000 0.433 81 G N -0.600 108.137 108.800 -0.104 0.000 2.642 81 G HA2 0.166 4.086 3.960 -0.066 0.000 0.231 81 G HA3 0.166 4.086 3.960 -0.066 0.000 0.231 81 G C 0.590 175.414 174.900 -0.127 0.000 1.338 81 G CA 0.444 45.490 45.100 -0.090 0.000 0.883 81 G HN 1.835 10.125 8.290 -0.000 0.000 0.570 82 G N -0.858 107.896 108.800 -0.078 0.000 2.574 82 G HA2 -0.050 3.870 3.960 -0.066 0.000 0.286 82 G HA3 -0.050 3.870 3.960 -0.066 0.000 0.286 82 G C -0.330 174.559 174.900 -0.018 0.000 1.212 82 G CA 1.591 46.658 45.100 -0.054 0.000 0.979 82 G HN 1.574 9.864 8.290 -0.000 0.000 0.557 83 P HA 0.202 4.622 4.420 -0.000 0.000 0.245 83 P C 0.843 178.107 177.300 -0.061 0.000 1.212 83 P CA 0.441 63.532 63.100 -0.015 0.000 0.774 83 P CB 0.006 31.705 31.700 -0.001 0.000 0.999 84 L N 0.408 121.562 121.223 -0.115 0.000 2.421 84 L HA 0.360 4.660 4.340 -0.066 0.000 0.263 84 L C 0.342 177.218 176.870 0.011 0.000 1.122 84 L CA -0.237 54.553 54.840 -0.083 0.000 0.804 84 L CB 0.370 42.299 42.059 -0.216 0.000 1.150 84 L HN -0.235 7.995 8.230 -0.000 0.000 0.457 85 D N 1.856 122.315 120.400 0.099 0.000 2.469 85 D HA 0.520 5.120 4.640 -0.066 0.000 0.251 85 D C 0.207 176.566 176.300 0.098 0.000 1.173 85 D CA 0.257 54.301 54.000 0.075 0.000 0.882 85 D CB 1.806 42.637 40.800 0.051 0.000 1.129 85 D HN 0.780 9.150 8.370 -0.000 0.000 0.549 86 G N 1.932 110.757 108.800 0.041 0.000 2.710 86 G HA2 -0.149 3.772 3.960 -0.066 0.000 0.668 86 G HA3 -0.149 3.772 3.960 -0.066 0.000 0.668 86 G C -0.419 174.505 174.900 0.040 0.000 1.320 86 G CA -0.931 44.158 45.100 -0.018 0.000 0.860 86 G HN 0.378 8.668 8.290 -0.000 0.000 0.538 87 T N 0.496 115.012 114.554 -0.063 0.000 2.837 87 T HA 0.612 4.922 4.350 -0.066 0.000 0.285 87 T C -0.923 173.675 174.700 -0.170 0.000 0.984 87 T CA 0.032 62.104 62.100 -0.046 0.000 1.049 87 T CB 1.363 70.174 68.868 -0.095 0.000 0.947 87 T HN 0.519 8.759 8.240 -0.000 0.000 0.472 88 Y N 1.391 121.585 120.300 -0.175 0.000 2.331 88 Y HA 0.453 4.963 4.550 -0.068 0.000 0.334 88 Y C 0.714 176.506 175.900 -0.180 0.000 0.960 88 Y CA -1.095 56.896 58.100 -0.183 0.000 1.130 88 Y CB 1.317 39.704 38.460 -0.121 0.000 1.164 88 Y HN 0.396 8.676 8.280 -0.000 0.000 0.458 89 R N 2.734 123.030 120.500 -0.339 0.000 2.297 89 R HA 0.361 4.661 4.340 -0.066 0.000 0.308 89 R C -0.842 175.346 176.300 -0.187 0.000 1.029 89 R CA -1.039 54.846 56.100 -0.358 0.000 0.929 89 R CB 0.968 30.818 30.300 -0.750 0.000 1.046 89 R HN 0.542 8.812 8.270 -0.000 0.000 0.461 90 L N 4.457 125.631 121.223 -0.082 0.000 2.455 90 L HA 0.088 4.388 4.340 -0.066 0.000 0.272 90 L C 0.396 177.190 176.870 -0.127 0.000 1.174 90 L CA 0.880 55.527 54.840 -0.323 0.000 0.869 90 L CB 0.478 42.194 42.059 -0.572 0.000 1.130 90 L HN 0.830 9.060 8.230 -0.000 0.000 0.474 91 I N 2.367 122.929 120.570 -0.012 0.000 4.244 91 I HA 0.196 4.326 4.170 -0.066 0.000 0.318 91 I C -0.377 175.835 176.117 0.159 0.000 1.282 91 I CA 0.077 61.480 61.300 0.172 0.000 1.276 91 I CB 0.234 38.395 38.000 0.269 0.000 1.183 91 I HN 0.930 9.140 8.210 -0.000 0.000 0.431 92 Q N 0.400 120.259 119.800 0.098 0.000 2.829 92 Q HA 0.364 4.664 4.340 -0.066 0.000 0.296 92 Q C -1.343 174.769 176.000 0.188 0.000 0.893 92 Q CA -0.827 55.093 55.803 0.194 0.000 0.772 92 Q CB 1.109 29.907 28.738 0.099 0.000 1.489 92 Q HN 0.128 8.398 8.270 -0.000 0.000 0.420 93 F N -1.311 118.727 119.950 0.147 0.000 2.613 93 F HA 0.938 5.429 4.527 -0.058 0.000 0.310 93 F C -0.882 174.897 175.800 -0.035 0.000 1.085 93 F CA -0.533 57.444 58.000 -0.038 0.000 0.945 93 F CB 1.965 40.916 39.000 -0.081 0.000 1.298 93 F HN 0.911 9.211 8.300 -0.000 0.000 0.455 94 H N -0.555 118.524 119.070 0.014 0.000 2.918 94 H HA 0.639 5.160 4.556 -0.060 0.000 0.303 94 H C -2.274 172.835 175.328 -0.367 0.000 1.380 94 H CA -1.070 54.864 56.048 -0.190 0.000 1.134 94 H CB 1.733 31.424 29.762 -0.117 0.000 1.842 94 H HN 0.673 8.953 8.280 -0.000 0.000 0.533 95 F N -0.427 119.496 119.950 -0.046 0.000 2.664 95 F HA 0.525 5.008 4.527 -0.074 0.000 0.329 95 F C -0.079 175.771 175.800 0.083 0.000 1.090 95 F CA -0.650 57.439 58.000 0.148 0.000 0.978 95 F CB 1.935 41.156 39.000 0.368 0.000 1.378 95 F HN 0.439 8.739 8.300 -0.000 0.000 0.495 96 H N 0.165 119.643 119.070 0.679 0.000 2.934 96 H HA 0.273 4.792 4.556 -0.061 0.000 0.340 96 H C -1.686 173.991 175.328 0.581 0.000 1.008 96 H CA -0.924 55.362 56.048 0.397 0.000 1.317 96 H CB 1.774 31.735 29.762 0.331 0.000 1.670 96 H HN 0.798 9.078 8.280 -0.000 0.000 0.516 97 W N 2.156 123.732 121.300 0.461 0.000 3.032 97 W HA 0.743 5.352 4.660 -0.086 0.000 0.341 97 W C -0.636 176.126 176.519 0.406 0.000 1.202 97 W CA -1.366 56.198 57.345 0.365 0.000 1.132 97 W CB 0.634 30.303 29.460 0.348 0.000 1.465 97 W HN 0.644 8.824 8.180 -0.000 0.000 0.576 98 G N -0.213 108.867 108.800 0.468 0.000 2.601 98 G HA2 0.409 4.329 3.960 -0.066 0.000 0.317 98 G HA3 0.409 4.329 3.960 -0.066 0.000 0.317 98 G C 0.336 175.458 174.900 0.369 0.000 1.246 98 G CA -0.406 44.947 45.100 0.422 0.000 1.012 98 G HN 0.896 9.186 8.290 -0.000 0.000 0.494 99 S N -1.290 114.592 115.700 0.304 0.000 2.461 99 S HA 0.199 4.629 4.470 -0.066 0.000 0.228 99 S C 0.737 175.449 174.600 0.186 0.000 1.005 99 S CA 0.345 58.685 58.200 0.233 0.000 0.942 99 S CB -0.145 63.170 63.200 0.192 0.000 0.776 99 S HN 0.211 8.521 8.310 -0.000 0.000 0.514 100 L N 1.124 122.452 121.223 0.175 0.000 2.303 100 L HA 0.510 4.811 4.340 -0.066 0.000 0.256 100 L C 0.144 177.078 176.870 0.107 0.000 1.034 100 L CA -0.399 54.513 54.840 0.120 0.000 0.832 100 L CB 1.260 43.377 42.059 0.098 0.000 1.403 100 L HN -0.018 8.212 8.230 -0.000 0.000 0.419 101 D N 0.713 121.154 120.400 0.068 0.000 2.312 101 D HA -0.034 4.566 4.640 -0.066 0.000 0.211 101 D C 1.654 177.968 176.300 0.023 0.000 0.964 101 D CA 1.029 55.059 54.000 0.049 0.000 0.877 101 D CB 0.345 41.163 40.800 0.030 0.000 0.924 101 D HN 0.828 9.198 8.370 -0.000 0.000 0.515 102 G N 0.203 109.009 108.800 0.010 0.000 2.848 102 G HA2 -0.061 3.859 3.960 -0.066 0.000 0.208 102 G HA3 -0.061 3.859 3.960 -0.066 0.000 0.208 102 G C 0.563 175.421 174.900 -0.070 0.000 1.152 102 G CA 0.127 45.208 45.100 -0.032 0.000 0.789 102 G HN 0.366 8.656 8.290 -0.000 0.000 0.531 103 Q N -3.372 116.399 119.800 -0.048 0.000 2.511 103 Q HA 0.634 4.935 4.340 -0.066 0.000 0.289 103 Q C 0.083 175.984 176.000 -0.165 0.000 1.021 103 Q CA -0.550 55.139 55.803 -0.190 0.000 0.785 103 Q CB 1.691 30.377 28.738 -0.087 0.000 1.472 103 Q HN 0.282 8.552 8.270 -0.000 0.000 0.411 104 G N 0.601 109.070 108.800 -0.552 0.000 3.675 104 G HA2 -0.144 3.776 3.960 -0.066 0.000 0.206 104 G HA3 -0.144 3.776 3.960 -0.066 0.000 0.206 104 G C 0.068 174.855 174.900 -0.188 0.000 1.086 104 G CA 0.072 45.024 45.100 -0.248 0.000 0.894 104 G HN 1.096 9.386 8.290 -0.000 0.000 0.412 105 S N 0.693 116.332 115.700 -0.101 0.000 2.589 105 S HA 0.515 4.946 4.470 -0.066 0.000 0.265 105 S C 0.865 175.471 174.600 0.009 0.000 1.342 105 S CA 0.755 59.047 58.200 0.154 0.000 1.005 105 S CB 1.805 65.274 63.200 0.448 0.000 0.909 105 S HN 0.427 8.737 8.310 -0.000 0.000 0.555 106 E N 0.500 120.799 120.200 0.165 0.000 2.099 106 E HA 0.039 4.349 4.350 -0.066 0.000 0.191 106 E C -0.074 176.513 176.600 -0.022 0.000 0.962 106 E CA 0.471 56.908 56.400 0.062 0.000 0.826 106 E CB -0.133 29.556 29.700 -0.019 0.000 0.788 106 E HN 0.768 9.128 8.360 -0.000 0.000 0.461 107 H N 0.735 119.929 119.070 0.207 0.000 2.562 107 H HA 0.161 4.677 4.556 -0.067 0.000 0.352 107 H C 0.069 175.553 175.328 0.260 0.000 1.125 107 H CA 0.320 56.503 56.048 0.225 0.000 1.379 107 H CB 1.086 31.037 29.762 0.314 0.000 1.464 107 H HN 0.008 8.288 8.280 -0.000 0.000 0.563 108 T N -0.778 113.888 114.554 0.187 0.000 2.916 108 T HA 0.602 4.913 4.350 -0.066 0.000 0.292 108 T C -0.843 173.814 174.700 -0.072 0.000 1.055 108 T CA -0.996 61.100 62.100 -0.008 0.000 1.009 108 T CB 1.279 70.100 68.868 -0.078 0.000 1.118 108 T HN 0.266 8.506 8.240 -0.000 0.000 0.497 109 V N 2.475 122.293 119.914 -0.159 0.000 2.349 109 V HA 0.363 4.443 4.120 -0.066 0.000 0.284 109 V C -0.539 175.463 176.094 -0.152 0.000 1.014 109 V CA -0.576 61.615 62.300 -0.181 0.000 0.826 109 V CB 0.636 32.396 31.823 -0.106 0.000 1.009 109 V HN 1.117 9.307 8.190 -0.000 0.000 0.431 110 D N 4.674 124.983 120.400 -0.151 0.000 2.723 110 D HA -0.167 4.433 4.640 -0.066 0.000 0.236 110 D C 1.074 177.320 176.300 -0.091 0.000 1.138 110 D CA 0.924 54.866 54.000 -0.095 0.000 0.676 110 D CB -0.454 40.311 40.800 -0.057 0.000 1.069 110 D HN 0.812 9.182 8.370 -0.000 0.000 0.430 111 K N -2.559 117.778 120.400 -0.106 0.000 3.547 111 K HA -0.265 4.015 4.320 -0.066 0.000 0.309 111 K C 0.578 177.095 176.600 -0.138 0.000 1.324 111 K CA 1.410 57.635 56.287 -0.103 0.000 0.988 111 K CB -1.231 31.223 32.500 -0.077 0.000 1.261 111 K HN 0.595 8.845 8.250 -0.000 0.000 0.444 112 K N 2.546 122.838 120.400 -0.180 0.000 2.379 112 K HA 0.112 4.393 4.320 -0.066 0.000 0.284 112 K C -0.488 175.900 176.600 -0.353 0.000 1.044 112 K CA 0.125 56.246 56.287 -0.276 0.000 0.974 112 K CB 0.471 32.772 32.500 -0.332 0.000 0.962 112 K HN -0.022 8.228 8.250 -0.000 0.000 0.474 113 K N 3.602 123.792 120.400 -0.350 0.000 2.156 113 K HA 0.211 4.491 4.320 -0.066 0.000 0.271 113 K C -0.964 175.404 176.600 -0.386 0.000 0.995 113 K CA -0.589 55.508 56.287 -0.316 0.000 0.890 113 K CB 0.880 33.206 32.500 -0.289 0.000 1.073 113 K HN 0.364 8.614 8.250 -0.000 0.000 0.454 114 Y N -0.022 120.184 120.300 -0.158 0.000 2.519 114 Y HA 0.269 4.779 4.550 -0.067 0.000 0.324 114 Y C 1.426 177.314 175.900 -0.021 0.000 1.214 114 Y CA -0.478 57.584 58.100 -0.063 0.000 1.260 114 Y CB 1.224 39.699 38.460 0.025 0.000 1.311 114 Y HN 0.726 9.006 8.280 -0.000 0.000 0.505 115 A N 0.993 123.943 122.820 0.217 0.000 1.940 115 A HA 0.277 4.557 4.320 -0.066 0.000 0.219 115 A C 0.825 178.543 177.584 0.224 0.000 1.176 115 A CA 1.906 54.038 52.037 0.159 0.000 0.631 115 A CB -0.595 18.478 19.000 0.122 0.000 0.814 115 A HN 0.805 8.955 8.150 -0.000 0.000 0.446 116 A N -2.067 120.927 122.820 0.290 0.000 2.586 116 A HA 0.666 4.946 4.320 -0.066 0.000 0.290 116 A C -0.995 176.829 177.584 0.401 0.000 1.086 116 A CA -0.182 52.086 52.037 0.385 0.000 0.665 116 A CB 0.769 20.013 19.000 0.407 0.000 1.279 116 A HN 0.243 8.393 8.150 -0.000 0.000 0.423 117 E N -0.039 120.417 120.200 0.426 0.000 2.290 117 E HA 0.504 4.814 4.350 -0.066 0.000 0.274 117 E C -2.092 174.572 176.600 0.106 0.000 0.889 117 E CA -0.666 55.872 56.400 0.230 0.000 0.760 117 E CB 1.838 31.643 29.700 0.175 0.000 1.206 117 E HN 0.669 9.029 8.360 -0.000 0.000 0.419 118 L N 4.716 125.903 121.223 -0.060 0.000 2.282 118 L HA 0.434 4.734 4.340 -0.066 0.000 0.288 118 L C -1.530 175.161 176.870 -0.298 0.000 1.033 118 L CA -0.179 54.441 54.840 -0.366 0.000 0.807 118 L CB 0.763 42.656 42.059 -0.277 0.000 1.209 118 L HN 0.631 8.861 8.230 -0.000 0.000 0.423 119 H N 5.182 124.088 119.070 -0.273 0.000 2.589 119 H HA 0.541 5.056 4.556 -0.068 0.000 0.335 119 H C -1.039 174.141 175.328 -0.247 0.000 1.019 119 H CA -0.828 55.117 56.048 -0.171 0.000 1.213 119 H CB 1.586 31.312 29.762 -0.060 0.000 1.472 119 H HN 0.473 8.753 8.280 -0.000 0.000 0.508 120 L N 4.314 125.549 121.223 0.021 0.000 2.262 120 L HA 0.265 4.566 4.340 -0.066 0.000 0.288 120 L C -0.543 176.271 176.870 -0.093 0.000 1.035 120 L CA -0.581 54.232 54.840 -0.045 0.000 0.820 120 L CB 1.230 43.285 42.059 -0.007 0.000 1.204 120 L HN 0.400 8.630 8.230 -0.000 0.000 0.424 121 V N 3.009 122.847 119.914 -0.128 0.000 2.432 121 V HA 0.366 4.446 4.120 -0.066 0.000 0.275 121 V C -0.392 175.614 176.094 -0.147 0.000 1.043 121 V CA -0.600 61.695 62.300 -0.008 0.000 0.925 121 V CB 0.672 32.593 31.823 0.164 0.000 0.985 121 V HN 0.650 8.840 8.190 -0.000 0.000 0.466 122 H N 3.362 122.531 119.070 0.166 0.000 2.747 122 H HA 0.680 5.198 4.556 -0.064 0.000 0.371 122 H C -0.737 174.846 175.328 0.425 0.000 1.161 122 H CA -0.707 55.464 56.048 0.205 0.000 1.167 122 H CB 1.691 31.523 29.762 0.116 0.000 1.732 122 H HN 0.792 9.072 8.280 -0.000 0.000 0.544 123 W N 0.868 122.415 121.300 0.413 0.000 2.819 123 W HA 0.414 5.033 4.660 -0.067 0.000 0.337 123 W C -0.837 175.676 176.519 -0.009 0.000 1.077 123 W CA -0.923 56.588 57.345 0.277 0.000 1.226 123 W CB 1.049 30.694 29.460 0.307 0.000 1.419 123 W HN 0.444 8.624 8.180 -0.000 0.000 0.502 124 N N 3.367 122.019 118.700 -0.079 0.000 2.423 124 N HA -0.012 4.688 4.740 -0.066 0.000 0.275 124 N C 0.672 176.118 175.510 -0.107 0.000 1.283 124 N CA 0.653 53.382 53.050 -0.537 0.000 0.932 124 N CB 0.643 38.875 38.487 -0.425 0.000 1.185 124 N HN 0.533 8.913 8.380 -0.000 0.000 0.483 128 Y N 1.672 122.016 120.300 0.073 0.000 2.466 128 Y HA 0.283 4.793 4.550 -0.066 0.000 0.272 128 Y C 1.938 177.887 175.900 0.083 0.000 1.169 128 Y CA 0.754 58.894 58.100 0.066 0.000 1.285 128 Y CB 0.622 39.103 38.460 0.035 0.000 1.078 128 Y HN 0.468 8.748 8.280 -0.000 0.000 0.523 129 G N 0.648 109.619 108.800 0.284 0.000 3.078 129 G HA2 -0.383 3.537 3.960 -0.066 0.000 0.227 129 G HA3 -0.383 3.537 3.960 -0.066 0.000 0.227 129 G C 0.062 175.047 174.900 0.141 0.000 1.306 129 G CA 0.805 46.043 45.100 0.230 0.000 0.841 129 G HN 0.527 8.817 8.290 -0.000 0.000 0.530 130 D N -1.758 118.531 120.400 -0.186 0.000 2.592 130 D HA 0.626 5.227 4.640 -0.066 0.000 0.263 130 D C 0.709 176.441 176.300 -0.946 0.000 1.132 130 D CA -0.410 53.191 54.000 -0.665 0.000 0.996 130 D CB 0.247 40.879 40.800 -0.281 0.000 1.442 130 D HN 0.229 8.599 8.370 -0.000 0.000 0.486 131 F N 0.675 119.879 119.950 -1.244 0.000 2.146 131 F HA 0.136 4.626 4.527 -0.062 0.000 0.298 131 F C 2.162 177.733 175.800 -0.382 0.000 1.096 131 F CA 2.107 59.565 58.000 -0.903 0.000 1.275 131 F CB -0.401 38.159 39.000 -0.733 0.000 1.008 131 F HN 0.506 8.806 8.300 -0.000 0.000 0.480 132 G N 0.388 109.045 108.800 -0.237 0.000 2.448 132 G HA2 -0.216 3.705 3.960 -0.066 0.000 0.219 132 G HA3 -0.216 3.705 3.960 -0.066 0.000 0.219 132 G C 1.726 176.480 174.900 -0.243 0.000 1.127 132 G CA 0.648 45.634 45.100 -0.189 0.000 0.766 132 G HN 0.196 8.486 8.290 -0.000 0.000 0.552 133 K N 0.683 120.939 120.400 -0.241 0.000 2.137 133 K HA 0.238 4.519 4.320 -0.066 0.000 0.202 133 K C 2.866 179.282 176.600 -0.307 0.000 1.052 133 K CA 0.883 57.050 56.287 -0.199 0.000 0.961 133 K CB -0.678 31.773 32.500 -0.081 0.000 0.741 133 K HN 0.215 8.465 8.250 -0.000 0.000 0.452 134 A N 1.722 124.357 122.820 -0.308 0.000 1.917 134 A HA -0.143 4.137 4.320 -0.066 0.000 0.219 134 A C 2.043 179.391 177.584 -0.393 0.000 1.182 134 A CA 2.023 53.877 52.037 -0.304 0.000 0.633 134 A CB -0.881 18.075 19.000 -0.073 0.000 0.819 134 A HN 0.151 8.301 8.150 -0.000 0.000 0.448 135 V N -2.910 116.723 119.914 -0.469 0.000 3.593 135 V HA 0.026 4.106 4.120 -0.066 0.000 0.275 135 V C 0.953 176.889 176.094 -0.263 0.000 1.237 135 V CA 1.352 63.423 62.300 -0.381 0.000 1.194 135 V CB -1.115 30.440 31.823 -0.448 0.000 0.949 135 V HN 0.609 8.799 8.190 -0.000 0.000 0.467 136 Q N -0.292 119.333 119.800 -0.293 0.000 2.139 136 Q HA 0.331 4.631 4.340 -0.066 0.000 0.219 136 Q C -0.224 175.618 176.000 -0.262 0.000 0.805 136 Q CA -0.103 55.561 55.803 -0.231 0.000 1.024 136 Q CB 0.826 29.443 28.738 -0.201 0.000 1.163 136 Q HN 0.623 8.893 8.270 -0.000 0.000 0.485 137 Q N 0.056 119.664 119.800 -0.321 0.000 2.397 137 Q HA 0.256 4.556 4.340 -0.066 0.000 0.275 137 Q C -2.065 173.859 176.000 -0.127 0.000 1.090 137 Q CA -2.037 53.591 55.803 -0.292 0.000 0.809 137 Q CB 1.690 30.053 28.738 -0.625 0.000 1.362 137 Q HN -0.104 8.166 8.270 -0.000 0.000 0.431 138 P HA -0.133 4.287 4.420 -0.000 0.000 0.220 138 P C 0.276 177.605 177.300 0.048 0.000 1.148 138 P CA 1.392 64.498 63.100 0.010 0.000 0.803 138 P CB 0.388 32.106 31.700 0.030 0.000 0.782 139 D N -1.450 119.007 120.400 0.094 0.000 2.538 139 D HA 0.118 4.718 4.640 -0.066 0.000 0.231 139 D C 1.647 178.122 176.300 0.292 0.000 1.229 139 D CA -0.362 53.751 54.000 0.188 0.000 0.828 139 D CB -0.945 39.983 40.800 0.213 0.000 1.035 139 D HN 0.010 8.380 8.370 -0.000 0.000 0.495 140 G N 0.463 109.352 108.800 0.149 0.000 2.408 140 G HA2 0.046 3.966 3.960 -0.066 0.000 0.217 140 G HA3 0.046 3.966 3.960 -0.066 0.000 0.217 140 G C 0.723 175.783 174.900 0.268 0.000 1.150 140 G CA 0.474 45.648 45.100 0.124 0.000 0.776 140 G HN 0.310 8.600 8.290 -0.000 0.000 0.542 141 L N -0.745 120.621 121.223 0.238 0.000 2.301 141 L HA 0.759 5.059 4.340 -0.066 0.000 0.264 141 L C -0.557 176.397 176.870 0.140 0.000 1.016 141 L CA -1.178 53.830 54.840 0.280 0.000 0.821 141 L CB 2.474 44.598 42.059 0.109 0.000 1.346 141 L HN 0.026 8.256 8.230 -0.000 0.000 0.429 142 A N 1.499 124.332 122.820 0.021 0.000 2.411 142 A HA 0.702 4.982 4.320 -0.066 0.000 0.285 142 A C -1.128 176.333 177.584 -0.205 0.000 1.129 142 A CA -0.399 51.433 52.037 -0.342 0.000 0.736 142 A CB 1.278 19.773 19.000 -0.842 0.000 1.186 142 A HN 0.322 8.472 8.150 -0.000 0.000 0.445 143 V N 3.466 123.083 119.914 -0.496 0.000 2.435 143 V HA 0.407 4.487 4.120 -0.066 0.000 0.290 143 V C -0.025 175.871 176.094 -0.330 0.000 1.030 143 V CA -0.533 61.469 62.300 -0.497 0.000 0.881 143 V CB 1.708 32.831 31.823 -1.168 0.000 0.983 143 V HN 0.804 8.994 8.190 -0.000 0.000 0.445 144 L N 4.472 125.668 121.223 -0.044 0.000 2.264 144 L HA 0.656 4.957 4.340 -0.066 0.000 0.287 144 L C 0.632 177.572 176.870 0.117 0.000 1.039 144 L CA -0.152 54.695 54.840 0.011 0.000 0.829 144 L CB 0.802 42.908 42.059 0.078 0.000 1.211 144 L HN 0.826 9.056 8.230 -0.000 0.000 0.427 145 G N 6.038 114.946 108.800 0.180 0.000 2.348 145 G HA2 0.625 4.545 3.960 -0.066 0.000 0.312 145 G HA3 0.625 4.545 3.960 -0.066 0.000 0.312 145 G C -0.732 174.134 174.900 -0.057 0.000 1.126 145 G CA -0.411 44.829 45.100 0.233 0.000 0.865 145 G HN 0.563 8.853 8.290 -0.000 0.000 0.474 146 I N 1.240 121.731 120.570 -0.133 0.000 2.533 146 I HA 0.323 4.454 4.170 -0.066 0.000 0.290 146 I C -1.020 174.964 176.117 -0.223 0.000 1.056 146 I CA -0.669 60.523 61.300 -0.181 0.000 1.057 146 I CB 2.263 40.228 38.000 -0.059 0.000 1.240 146 I HN 0.234 8.444 8.210 -0.000 0.000 0.423 147 F N 5.747 125.662 119.950 -0.059 0.000 2.385 147 F HA 0.497 4.984 4.527 -0.067 0.000 0.336 147 F C -0.150 175.547 175.800 -0.173 0.000 1.100 147 F CA -0.614 57.254 58.000 -0.221 0.000 1.116 147 F CB 0.996 39.518 39.000 -0.797 0.000 1.166 147 F HN 0.155 8.455 8.300 -0.000 0.000 0.511 148 L N 3.669 124.983 121.223 0.151 0.000 2.333 148 L HA 0.479 4.779 4.340 -0.066 0.000 0.280 148 L C -0.513 176.469 176.870 0.186 0.000 1.004 148 L CA -0.586 54.342 54.840 0.145 0.000 0.820 148 L CB 1.653 43.811 42.059 0.164 0.000 1.247 148 L HN 0.612 8.842 8.230 -0.000 0.000 0.416 149 K N 1.981 122.476 120.400 0.157 0.000 2.328 149 K HA 0.782 5.063 4.320 -0.066 0.000 0.246 149 K C -1.199 175.456 176.600 0.091 0.000 0.955 149 K CA -0.924 55.478 56.287 0.191 0.000 0.817 149 K CB 1.935 34.590 32.500 0.258 0.000 1.208 149 K HN 0.123 8.373 8.250 -0.000 0.000 0.432 150 V N 2.224 122.179 119.914 0.068 0.000 2.455 150 V HA 0.474 4.554 4.120 -0.066 0.000 0.273 150 V C 0.553 176.664 176.094 0.028 0.000 1.045 150 V CA 0.808 63.122 62.300 0.023 0.000 0.976 150 V CB 0.127 31.956 31.823 0.010 0.000 0.993 150 V HN 1.060 9.250 8.190 -0.000 0.000 0.475 151 G N 3.704 112.514 108.800 0.017 0.000 2.929 151 G HA2 0.280 4.200 3.960 -0.066 0.000 0.123 151 G HA3 0.280 4.200 3.960 -0.066 0.000 0.123 151 G C -0.340 174.566 174.900 0.010 0.000 1.212 151 G CA -0.203 44.908 45.100 0.018 0.000 1.238 151 G HN 0.526 8.816 8.290 -0.000 0.000 0.617 152 S N 0.547 116.255 115.700 0.014 0.000 2.593 152 S HA 0.599 5.029 4.470 -0.066 0.000 0.269 152 S C 0.711 175.317 174.600 0.009 0.000 1.334 152 S CA 0.201 58.407 58.200 0.011 0.000 1.015 152 S CB 1.237 64.446 63.200 0.014 0.000 0.912 152 S HN 1.133 9.443 8.310 -0.000 0.000 0.541 153 A N 1.607 124.431 122.820 0.008 0.000 2.386 153 A HA 0.441 4.722 4.320 -0.066 0.000 0.248 153 A C 0.131 177.730 177.584 0.024 0.000 1.082 153 A CA -0.162 51.880 52.037 0.008 0.000 0.789 153 A CB 0.061 19.065 19.000 0.007 0.000 1.025 153 A HN 0.575 8.725 8.150 -0.000 0.000 0.490 154 K N 2.297 122.717 120.400 0.034 0.000 2.334 154 K HA 0.438 4.718 4.320 -0.066 0.000 0.265 154 K C -2.166 174.480 176.600 0.078 0.000 1.039 154 K CA -2.290 54.033 56.287 0.060 0.000 0.920 154 K CB 1.150 33.697 32.500 0.078 0.000 1.160 154 K HN 0.285 8.535 8.250 -0.000 0.000 0.451 155 P HA -0.152 4.268 4.420 -0.000 0.000 0.215 155 P C 1.017 178.385 177.300 0.114 0.000 1.157 155 P CA 1.365 64.510 63.100 0.075 0.000 0.874 155 P CB 0.145 31.877 31.700 0.053 0.000 0.790 156 G N -0.822 108.053 108.800 0.125 0.000 2.498 156 G HA2 -0.186 3.734 3.960 -0.066 0.000 0.219 156 G HA3 -0.186 3.734 3.960 -0.066 0.000 0.219 156 G C 1.310 176.404 174.900 0.323 0.000 1.119 156 G CA 0.288 45.489 45.100 0.168 0.000 0.766 156 G HN 0.274 8.564 8.290 -0.000 0.000 0.552 157 L N -0.658 120.733 121.223 0.281 0.000 2.590 157 L HA 0.365 4.666 4.340 -0.066 0.000 0.227 157 L C 2.427 179.443 176.870 0.245 0.000 1.099 157 L CA 0.651 55.684 54.840 0.322 0.000 0.872 157 L CB 0.244 42.444 42.059 0.235 0.000 1.088 157 L HN 0.131 8.361 8.230 -0.000 0.000 0.479 158 Q N 0.394 120.309 119.800 0.193 0.000 2.061 158 Q HA -0.246 4.054 4.340 -0.066 0.000 0.204 158 Q C 2.100 178.185 176.000 0.140 0.000 0.984 158 Q CA 1.989 57.870 55.803 0.131 0.000 0.846 158 Q CB -0.057 28.738 28.738 0.095 0.000 0.902 158 Q HN 0.409 8.679 8.270 -0.000 0.000 0.421 159 K N -0.966 119.563 120.400 0.214 0.000 2.089 159 K HA -0.175 4.105 4.320 -0.066 0.000 0.210 159 K C 1.948 178.685 176.600 0.228 0.000 1.048 159 K CA 1.677 58.105 56.287 0.234 0.000 0.926 159 K CB -0.251 32.456 32.500 0.343 0.000 0.714 159 K HN 0.102 8.352 8.250 -0.000 0.000 0.448 160 V N 0.687 120.701 119.914 0.167 0.000 2.295 160 V HA -0.224 3.856 4.120 -0.066 0.000 0.246 160 V C 2.256 178.243 176.094 -0.179 0.000 1.049 160 V CA 1.543 63.803 62.300 -0.066 0.000 1.024 160 V CB -0.375 31.413 31.823 -0.057 0.000 0.648 160 V HN 0.092 8.282 8.190 -0.000 0.000 0.447 161 V N 0.385 120.264 119.914 -0.059 0.000 2.332 161 V HA -0.285 3.795 4.120 -0.066 0.000 0.248 161 V C 2.200 178.224 176.094 -0.116 0.000 1.055 161 V CA 2.252 64.501 62.300 -0.084 0.000 1.038 161 V CB -0.736 31.095 31.823 0.013 0.000 0.651 161 V HN 0.570 8.760 8.190 -0.000 0.000 0.450 162 D N -0.694 119.672 120.400 -0.056 0.000 2.269 162 D HA -0.075 4.525 4.640 -0.066 0.000 0.208 162 D C 1.950 178.204 176.300 -0.077 0.000 0.963 162 D CA 0.949 54.921 54.000 -0.047 0.000 0.864 162 D CB 0.178 40.981 40.800 0.005 0.000 0.936 162 D HN 0.384 8.754 8.370 -0.000 0.000 0.505 163 V N 0.658 120.503 119.914 -0.115 0.000 3.235 163 V HA -0.028 4.052 4.120 -0.066 0.000 0.259 163 V C 2.130 178.066 176.094 -0.264 0.000 1.133 163 V CA 0.406 62.616 62.300 -0.150 0.000 1.128 163 V CB -0.158 31.587 31.823 -0.130 0.000 0.757 163 V HN 0.126 8.316 8.190 -0.000 0.000 0.469 164 L N -0.282 120.724 121.223 -0.362 0.000 2.129 164 L HA -0.190 4.110 4.340 -0.066 0.000 0.212 164 L C 2.305 179.014 176.870 -0.269 0.000 1.087 164 L CA 1.767 56.349 54.840 -0.431 0.000 0.757 164 L CB -0.877 40.858 42.059 -0.540 0.000 0.896 164 L HN 0.335 8.565 8.230 -0.000 0.000 0.434 165 D N -0.061 120.228 120.400 -0.186 0.000 2.149 165 D HA -0.146 4.454 4.640 -0.066 0.000 0.198 165 D C 2.350 178.580 176.300 -0.116 0.000 0.990 165 D CA 1.361 55.286 54.000 -0.125 0.000 0.839 165 D CB 0.061 40.808 40.800 -0.089 0.000 0.948 165 D HN 0.191 8.561 8.370 -0.000 0.000 0.460 166 S N 0.075 115.701 115.700 -0.124 0.000 2.447 166 S HA -0.074 4.357 4.470 -0.066 0.000 0.233 166 S C 1.679 176.209 174.600 -0.116 0.000 1.006 166 S CA 0.486 58.623 58.200 -0.105 0.000 0.957 166 S CB 0.013 63.152 63.200 -0.102 0.000 0.773 166 S HN 0.474 8.784 8.310 -0.000 0.000 0.507 167 I N -1.755 118.723 120.570 -0.152 0.000 3.241 167 I HA 0.440 4.570 4.170 -0.066 0.000 0.333 167 I C 0.973 177.012 176.117 -0.130 0.000 1.534 167 I CA -0.442 60.773 61.300 -0.143 0.000 0.979 167 I CB 0.290 38.177 38.000 -0.187 0.000 1.497 167 I HN -0.110 8.100 8.210 -0.000 0.000 0.530 168 K N 1.931 122.264 120.400 -0.111 0.000 2.113 168 K HA -0.112 4.168 4.320 -0.066 0.000 0.208 168 K C 0.874 177.438 176.600 -0.059 0.000 1.047 168 K CA 2.079 58.312 56.287 -0.089 0.000 0.928 168 K CB -0.011 32.448 32.500 -0.069 0.000 0.716 168 K HN 0.716 8.966 8.250 -0.000 0.000 0.446 169 T N -2.162 112.362 114.554 -0.050 0.000 2.940 169 T HA 0.243 4.553 4.350 -0.066 0.000 0.288 169 T C -0.729 173.949 174.700 -0.037 0.000 1.045 169 T CA -1.122 60.959 62.100 -0.032 0.000 1.018 169 T CB 1.654 70.507 68.868 -0.024 0.000 1.151 169 T HN 0.098 8.338 8.240 -0.000 0.000 0.529 170 K N 0.190 120.573 120.400 -0.029 0.000 2.419 170 K HA 0.375 4.655 4.320 -0.066 0.000 0.282 170 K C 1.269 177.840 176.600 -0.050 0.000 1.056 170 K CA 1.047 57.306 56.287 -0.047 0.000 1.035 170 K CB -0.689 31.785 32.500 -0.042 0.000 0.921 170 K HN 1.096 9.346 8.250 -0.000 0.000 0.472 171 G N 3.385 112.150 108.800 -0.059 0.000 2.238 171 G HA2 -0.188 3.732 3.960 -0.066 0.000 0.217 171 G HA3 -0.188 3.732 3.960 -0.066 0.000 0.217 171 G C -0.377 174.494 174.900 -0.049 0.000 0.996 171 G CA -0.415 44.655 45.100 -0.051 0.000 0.632 171 G HN 0.536 8.826 8.290 -0.000 0.000 0.503 172 K N 1.677 122.045 120.400 -0.052 0.000 2.326 172 K HA 0.566 4.847 4.320 -0.066 0.000 0.275 172 K C 0.498 177.058 176.600 -0.067 0.000 1.018 172 K CA 0.745 56.997 56.287 -0.057 0.000 0.962 172 K CB 1.398 33.860 32.500 -0.063 0.000 0.953 172 K HN 0.779 9.029 8.250 -0.000 0.000 0.475 173 S N -0.437 115.223 115.700 -0.066 0.000 2.661 173 S HA 0.884 5.314 4.470 -0.066 0.000 0.285 173 S C -1.194 173.365 174.600 -0.068 0.000 1.138 173 S CA -1.049 57.107 58.200 -0.073 0.000 0.855 173 S CB 2.205 65.369 63.200 -0.059 0.000 1.136 173 S HN 0.672 8.982 8.310 -0.000 0.000 0.484 174 A N 0.678 123.458 122.820 -0.066 0.000 2.577 174 A HA 0.637 4.917 4.320 -0.066 0.000 0.297 174 A C -1.692 175.898 177.584 0.011 0.000 1.060 174 A CA -0.833 51.184 52.037 -0.033 0.000 0.697 174 A CB 0.769 19.740 19.000 -0.049 0.000 1.281 174 A HN 0.715 8.865 8.150 -0.000 0.000 0.402 175 D N 0.418 120.834 120.400 0.026 0.000 2.525 175 D HA 0.325 4.926 4.640 -0.066 0.000 0.235 175 D C -0.728 175.651 176.300 0.132 0.000 1.137 175 D CA 1.520 55.545 54.000 0.042 0.000 0.868 175 D CB 0.258 41.066 40.800 0.013 0.000 1.180 175 D HN 0.443 8.813 8.370 -0.000 0.000 0.465 176 F N 1.427 121.320 119.950 -0.095 0.000 2.883 176 F HA 0.076 4.570 4.527 -0.055 0.000 0.383 176 F C -0.210 175.537 175.800 -0.089 0.000 1.342 176 F CA -0.429 57.508 58.000 -0.105 0.000 1.150 176 F CB 0.215 39.115 39.000 -0.166 0.000 2.189 176 F HN 0.182 8.482 8.300 -0.000 0.000 0.593 177 T N -1.475 112.950 114.554 -0.215 0.000 2.847 177 T HA 0.340 4.650 4.350 -0.066 0.000 0.279 177 T C 0.402 174.974 174.700 -0.213 0.000 0.984 177 T CA -0.094 61.903 62.100 -0.173 0.000 0.988 177 T CB 1.095 69.910 68.868 -0.089 0.000 1.040 177 T HN 0.450 8.690 8.240 -0.000 0.000 0.528 178 N N -1.102 117.533 118.700 -0.108 0.000 2.727 178 N HA -0.179 4.521 4.740 -0.066 0.000 0.249 178 N C -1.217 174.257 175.510 -0.060 0.000 1.048 178 N CA 0.487 53.495 53.050 -0.070 0.000 0.714 178 N CB -1.806 36.642 38.487 -0.065 0.000 0.959 178 N HN 0.625 9.005 8.380 -0.000 0.000 0.544 179 F N 1.266 121.108 119.950 -0.181 0.000 2.385 179 F HA 0.371 4.863 4.527 -0.058 0.000 0.360 179 F C 0.018 175.901 175.800 0.138 0.000 1.122 179 F CA -1.332 56.616 58.000 -0.088 0.000 1.090 179 F CB 0.809 39.757 39.000 -0.086 0.000 1.150 179 F HN -0.020 8.280 8.300 -0.000 0.000 0.472 180 D N 8.785 128.739 120.400 -0.742 0.000 2.359 180 D HA 0.297 4.897 4.640 -0.066 0.000 0.230 180 D C -1.823 174.075 176.300 -0.670 0.000 1.118 180 D CA -2.414 51.314 54.000 -0.453 0.000 0.844 180 D CB 1.920 42.573 40.800 -0.245 0.000 1.059 180 D HN 0.270 8.640 8.370 -0.000 0.000 0.493 181 P HA -0.031 4.389 4.420 -0.000 0.000 0.223 181 P C 1.071 178.352 177.300 -0.031 0.000 1.151 181 P CA 0.472 63.521 63.100 -0.085 0.000 0.787 181 P CB 0.359 31.984 31.700 -0.125 0.000 0.788 182 R N -0.316 120.199 120.500 0.025 0.000 2.303 182 R HA -0.017 4.283 4.340 -0.066 0.000 0.225 182 R C 2.194 178.499 176.300 0.009 0.000 1.114 182 R CA 1.210 57.349 56.100 0.066 0.000 1.007 182 R CB -0.945 29.382 30.300 0.044 0.000 0.861 182 R HN 0.248 8.518 8.270 -0.000 0.000 0.471 183 G N -0.099 108.683 108.800 -0.030 0.000 2.985 183 G HA2 0.004 3.924 3.960 -0.066 0.000 0.209 183 G HA3 0.004 3.924 3.960 -0.066 0.000 0.209 183 G C 1.075 176.010 174.900 0.058 0.000 1.165 183 G CA -0.133 44.970 45.100 0.004 0.000 0.776 183 G HN 0.158 8.448 8.290 -0.000 0.000 0.541 184 L N 0.147 121.402 121.223 0.054 0.000 2.693 184 L HA 0.405 4.705 4.340 -0.066 0.000 0.235 184 L C 0.404 177.298 176.870 0.040 0.000 1.127 184 L CA -0.143 54.742 54.840 0.075 0.000 0.914 184 L CB 0.139 42.222 42.059 0.040 0.000 1.193 184 L HN 0.033 8.263 8.230 -0.000 0.000 0.502 185 L N 1.372 122.612 121.223 0.029 0.000 2.350 185 L HA 0.374 4.674 4.340 -0.066 0.000 0.275 185 L C -1.968 174.907 176.870 0.008 0.000 1.099 185 L CA -1.842 53.007 54.840 0.014 0.000 0.808 185 L CB 0.450 42.513 42.059 0.006 0.000 1.149 185 L HN -0.144 8.086 8.230 -0.000 0.000 0.442 186 P HA 0.107 4.527 4.420 -0.000 0.000 0.277 186 P C 0.251 177.537 177.300 -0.022 0.000 1.271 186 P CA -0.582 62.513 63.100 -0.009 0.000 0.795 186 P CB 0.855 32.545 31.700 -0.015 0.000 1.101 187 E N -0.376 119.808 120.200 -0.027 0.000 2.072 187 E HA -0.065 4.245 4.350 -0.066 0.000 0.191 187 E C 0.240 176.812 176.600 -0.047 0.000 0.985 187 E CA 0.714 57.094 56.400 -0.033 0.000 0.801 187 E CB 0.012 29.694 29.700 -0.031 0.000 0.750 187 E HN 0.309 8.669 8.360 -0.000 0.000 0.452 188 S N -0.439 115.223 115.700 -0.063 0.000 2.525 188 S HA 0.335 4.765 4.470 -0.066 0.000 0.290 188 S C 0.357 174.909 174.600 -0.079 0.000 1.152 188 S CA -0.671 57.477 58.200 -0.086 0.000 1.072 188 S CB 1.057 64.177 63.200 -0.133 0.000 1.027 188 S HN 0.293 8.603 8.310 -0.000 0.000 0.500 189 L N 2.686 123.874 121.223 -0.060 0.000 2.741 189 L HA 0.304 4.604 4.340 -0.066 0.000 0.237 189 L C -0.238 176.669 176.870 0.062 0.000 1.178 189 L CA -0.214 54.617 54.840 -0.014 0.000 0.973 189 L CB -0.074 41.977 42.059 -0.015 0.000 1.255 189 L HN 0.487 8.717 8.230 -0.000 0.000 0.498 190 D N 1.377 121.731 120.400 -0.076 0.000 2.417 190 D HA 0.207 4.807 4.640 -0.066 0.000 0.250 190 D C -0.344 175.877 176.300 -0.131 0.000 1.166 190 D CA 0.625 54.513 54.000 -0.188 0.000 0.881 190 D CB 0.670 41.127 40.800 -0.572 0.000 1.164 190 D HN 0.135 8.505 8.370 -0.000 0.000 0.467 191 Y N -0.580 119.673 120.300 -0.078 0.000 2.669 191 Y HA 0.713 5.223 4.550 -0.066 0.000 0.335 191 Y C -1.219 174.664 175.900 -0.029 0.000 1.116 191 Y CA -1.449 56.605 58.100 -0.076 0.000 1.081 191 Y CB 1.239 39.697 38.460 -0.003 0.000 1.297 191 Y HN 0.193 8.473 8.280 -0.000 0.000 0.484 192 W N 0.559 122.109 121.300 0.416 0.000 2.761 192 W HA 0.616 5.236 4.660 -0.068 0.000 0.340 192 W C -0.896 175.854 176.519 0.384 0.000 1.072 192 W CA -0.786 56.736 57.345 0.295 0.000 1.215 192 W CB 2.238 31.845 29.460 0.244 0.000 1.420 192 W HN 0.723 8.903 8.180 -0.000 0.000 0.519 193 T N 2.421 117.313 114.554 0.563 0.000 2.923 193 T HA 0.688 4.998 4.350 -0.066 0.000 0.311 193 T C -1.761 173.188 174.700 0.416 0.000 1.183 193 T CA -0.215 62.134 62.100 0.415 0.000 1.020 193 T CB 1.517 70.589 68.868 0.340 0.000 1.165 193 T HN 0.367 8.607 8.240 -0.000 0.000 0.482 194 Y N 1.224 121.656 120.300 0.219 0.000 2.662 194 Y HA 0.721 5.231 4.550 -0.067 0.000 0.334 194 Y C -3.341 172.687 175.900 0.212 0.000 1.185 194 Y CA -2.414 55.792 58.100 0.177 0.000 1.074 194 Y CB 0.572 39.121 38.460 0.148 0.000 1.330 194 Y HN 0.434 8.714 8.280 -0.000 0.000 0.458 195 P HA 0.500 4.920 4.420 -0.000 0.000 0.292 195 P C -0.329 177.093 177.300 0.203 0.000 1.326 195 P CA 0.363 63.524 63.100 0.103 0.000 0.787 195 P CB 1.444 33.225 31.700 0.136 0.000 0.903 196 G N 1.706 110.592 108.800 0.143 0.000 3.183 196 G HA2 0.716 4.636 3.960 -0.066 0.000 0.247 196 G HA3 0.716 4.636 3.960 -0.066 0.000 0.247 196 G C -0.906 174.195 174.900 0.335 0.000 1.211 196 G CA -0.498 44.812 45.100 0.350 0.000 0.835 196 G HN 0.554 8.844 8.290 -0.000 0.000 0.604 197 S N -1.732 114.237 115.700 0.448 0.000 2.794 197 S HA 0.706 5.137 4.470 -0.066 0.000 0.299 197 S C -0.772 174.111 174.600 0.471 0.000 1.179 197 S CA -0.770 57.634 58.200 0.341 0.000 0.838 197 S CB 0.954 64.274 63.200 0.200 0.000 1.206 197 S HN 0.556 8.866 8.310 -0.000 0.000 0.523 198 L N 1.661 123.040 121.223 0.260 0.000 2.397 198 L HA 0.317 4.617 4.340 -0.066 0.000 0.271 198 L C 1.697 178.717 176.870 0.250 0.000 1.148 198 L CA -0.051 54.951 54.840 0.270 0.000 0.825 198 L CB 1.133 43.274 42.059 0.136 0.000 1.117 198 L HN 1.097 9.327 8.230 -0.000 0.000 0.456 199 T N -3.028 111.715 114.554 0.316 0.000 3.148 199 T HA 0.030 4.340 4.350 -0.066 0.000 0.253 199 T C 0.555 175.405 174.700 0.250 0.000 1.134 199 T CA 0.235 62.486 62.100 0.251 0.000 1.051 199 T CB -0.425 68.568 68.868 0.209 0.000 0.959 199 T HN 0.718 8.958 8.240 -0.000 0.000 0.525 200 T N -1.485 113.094 114.554 0.043 0.000 2.906 200 T HA 0.627 4.937 4.350 -0.066 0.000 0.295 200 T C -3.358 170.879 174.700 -0.772 0.000 1.061 200 T CA -2.332 59.516 62.100 -0.421 0.000 1.000 200 T CB 1.864 70.568 68.868 -0.273 0.000 1.103 200 T HN -0.219 8.021 8.240 -0.000 0.000 0.486 201 P HA 0.055 4.475 4.420 -0.000 0.000 0.271 201 P C -1.811 174.926 177.300 -0.939 0.000 1.197 201 P CA -0.677 61.433 63.100 -1.649 0.000 0.777 201 P CB -0.184 29.798 31.700 -2.863 0.000 0.827 202 P HA -0.098 4.322 4.420 -0.000 0.000 0.231 202 P C 0.317 177.408 177.300 -0.349 0.000 1.154 202 P CA 0.773 63.558 63.100 -0.525 0.000 0.762 202 P CB -0.408 31.213 31.700 -0.131 0.000 0.790 203 L N -4.119 116.903 121.223 -0.336 0.000 4.001 203 L HA -0.219 4.081 4.340 -0.066 0.000 0.413 203 L C 0.133 176.988 176.870 -0.026 0.000 1.185 203 L CA -0.083 54.678 54.840 -0.131 0.000 0.963 203 L CB -2.330 39.672 42.059 -0.094 0.000 1.976 203 L HN 0.105 8.335 8.230 -0.000 0.000 0.939 204 L N 0.729 121.930 121.223 -0.036 0.000 2.578 204 L HA -0.052 4.248 4.340 -0.066 0.000 0.279 204 L C 1.243 178.128 176.870 0.026 0.000 1.227 204 L CA 0.638 55.471 54.840 -0.011 0.000 0.900 204 L CB 0.018 42.050 42.059 -0.045 0.000 1.144 204 L HN 0.186 8.416 8.230 -0.000 0.000 0.496 205 E N 2.569 122.789 120.200 0.033 0.000 2.122 205 E HA 0.126 4.436 4.350 -0.066 0.000 0.288 205 E C -0.066 176.555 176.600 0.036 0.000 1.260 205 E CA -0.294 56.142 56.400 0.061 0.000 1.344 205 E CB 0.165 29.905 29.700 0.066 0.000 1.337 205 E HN 0.671 9.031 8.360 -0.000 0.000 0.484 206 C N 0.449 119.761 119.300 0.019 0.000 3.491 206 C HA 0.206 4.626 4.460 -0.066 0.000 0.298 206 C C 0.776 175.762 174.990 -0.007 0.000 1.424 206 C CA -0.516 58.497 59.018 -0.008 0.000 1.772 206 C CB -0.252 27.451 27.740 -0.061 0.000 2.447 206 C HN 0.247 8.477 8.230 -0.000 0.000 0.670 207 V N 1.798 121.705 119.914 -0.013 0.000 2.509 207 V HA 0.332 4.412 4.120 -0.066 0.000 0.284 207 V C 0.274 176.271 176.094 -0.161 0.000 1.047 207 V CA 0.501 62.710 62.300 -0.152 0.000 0.952 207 V CB 1.459 33.078 31.823 -0.339 0.000 0.988 207 V HN 0.328 8.518 8.190 -0.000 0.000 0.469 208 T N 4.609 119.010 114.554 -0.255 0.000 2.910 208 T HA 0.275 4.586 4.350 -0.066 0.000 0.323 208 T C -0.446 174.036 174.700 -0.363 0.000 1.091 208 T CA -0.118 61.844 62.100 -0.230 0.000 0.960 208 T CB -0.154 68.586 68.868 -0.212 0.000 1.024 208 T HN 0.551 8.791 8.240 -0.000 0.000 0.509 209 W N 3.217 124.287 121.300 -0.382 0.000 2.218 209 W HA 0.529 5.147 4.660 -0.070 0.000 0.326 209 W C 0.289 176.684 176.519 -0.206 0.000 1.276 209 W CA -0.731 56.405 57.345 -0.348 0.000 1.210 209 W CB 0.449 29.563 29.460 -0.578 0.000 1.143 209 W HN 0.444 8.624 8.180 -0.000 0.000 0.563 210 I N 4.210 124.832 120.570 0.088 0.000 2.641 210 I HA 0.109 4.239 4.170 -0.066 0.000 0.275 210 I C -0.941 175.254 176.117 0.130 0.000 1.129 210 I CA -0.743 60.581 61.300 0.041 0.000 1.094 210 I CB 0.603 38.462 38.000 -0.235 0.000 1.232 210 I HN -0.075 8.135 8.210 -0.000 0.000 0.503 211 V N 5.607 125.674 119.914 0.255 0.000 2.385 211 V HA 0.292 4.373 4.120 -0.066 0.000 0.269 211 V C 0.493 176.758 176.094 0.284 0.000 1.043 211 V CA -0.594 61.830 62.300 0.207 0.000 0.906 211 V CB 1.123 33.047 31.823 0.167 0.000 0.995 211 V HN 0.390 8.580 8.190 -0.000 0.000 0.467 212 L N 4.464 125.755 121.223 0.112 0.000 2.439 212 L HA 0.254 4.555 4.340 -0.066 0.000 0.269 212 L C 1.520 178.427 176.870 0.062 0.000 1.179 212 L CA 0.473 55.344 54.840 0.052 0.000 0.828 212 L CB 0.438 42.494 42.059 -0.004 0.000 1.106 212 L HN 0.754 8.984 8.230 -0.000 0.000 0.467 213 K N 2.042 122.318 120.400 -0.207 0.000 2.031 213 K HA -0.087 4.193 4.320 -0.066 0.000 0.205 213 K C 0.570 177.154 176.600 -0.027 0.000 1.049 213 K CA 0.850 56.935 56.287 -0.336 0.000 0.939 213 K CB 0.208 32.191 32.500 -0.862 0.000 0.717 213 K HN 0.624 8.874 8.250 -0.000 0.000 0.438 214 E N 2.445 122.592 120.200 -0.088 0.000 2.180 214 E HA 0.121 4.431 4.350 -0.066 0.000 0.283 214 E C -2.346 174.270 176.600 0.027 0.000 1.061 214 E CA -2.583 53.800 56.400 -0.027 0.000 0.861 214 E CB 0.915 30.572 29.700 -0.072 0.000 1.056 214 E HN 0.164 8.524 8.360 -0.000 0.000 0.407 215 P HA 0.168 4.588 4.420 -0.000 0.000 0.276 215 P C -0.370 176.949 177.300 0.030 0.000 1.252 215 P CA -0.275 62.837 63.100 0.019 0.000 0.802 215 P CB 0.668 32.324 31.700 -0.073 0.000 1.035 216 I N -1.878 118.717 120.570 0.041 0.000 2.525 216 I HA 0.647 4.777 4.170 -0.066 0.000 0.301 216 I C -0.123 176.031 176.117 0.062 0.000 0.992 216 I CA -0.875 60.457 61.300 0.053 0.000 1.162 216 I CB 1.979 40.019 38.000 0.066 0.000 1.332 216 I HN 0.268 8.478 8.210 -0.000 0.000 0.458 217 S N 4.849 120.581 115.700 0.053 0.000 2.501 217 S HA 0.848 5.278 4.470 -0.066 0.000 0.301 217 S C -0.327 174.292 174.600 0.032 0.000 1.096 217 S CA -0.495 57.734 58.200 0.048 0.000 1.063 217 S CB 1.711 64.937 63.200 0.044 0.000 1.042 217 S HN 1.109 9.419 8.310 -0.000 0.000 0.494 218 V N -0.289 119.631 119.914 0.010 0.000 3.102 218 V HA 0.905 4.986 4.120 -0.066 0.000 0.312 218 V C 0.002 176.073 176.094 -0.038 0.000 1.135 218 V CA -0.705 61.577 62.300 -0.029 0.000 1.022 218 V CB 1.325 33.098 31.823 -0.082 0.000 1.056 218 V HN 1.208 9.398 8.190 -0.000 0.000 0.436 219 S N 0.883 116.554 115.700 -0.049 0.000 2.645 219 S HA 0.332 4.762 4.470 -0.066 0.000 0.266 219 S C 1.417 175.977 174.600 -0.066 0.000 1.258 219 S CA 0.337 58.513 58.200 -0.040 0.000 0.990 219 S CB 1.218 64.402 63.200 -0.028 0.000 0.967 219 S HN 1.660 9.970 8.310 -0.000 0.000 0.556 220 S N 0.882 116.556 115.700 -0.044 0.000 2.382 220 S HA -0.168 4.262 4.470 -0.066 0.000 0.228 220 S C 1.767 176.331 174.600 -0.059 0.000 1.027 220 S CA 1.527 59.700 58.200 -0.045 0.000 0.991 220 S CB -0.821 62.366 63.200 -0.021 0.000 0.823 220 S HN 0.806 9.116 8.310 -0.000 0.000 0.469 221 E N 0.916 121.086 120.200 -0.050 0.000 2.152 221 E HA -0.134 4.176 4.350 -0.066 0.000 0.192 221 E C 2.131 178.689 176.600 -0.070 0.000 0.983 221 E CA 0.707 57.079 56.400 -0.047 0.000 0.818 221 E CB -0.681 29.002 29.700 -0.029 0.000 0.758 221 E HN 0.685 9.045 8.360 -0.000 0.000 0.467 222 Q N 0.824 120.566 119.800 -0.096 0.000 2.020 222 Q HA -0.086 4.214 4.340 -0.066 0.000 0.202 222 Q C 2.447 178.280 176.000 -0.277 0.000 0.982 222 Q CA 1.619 57.341 55.803 -0.135 0.000 0.838 222 Q CB -0.221 28.440 28.738 -0.130 0.000 0.899 222 Q HN 0.179 8.449 8.270 -0.000 0.000 0.423 223 V N 0.929 120.633 119.914 -0.349 0.000 2.427 223 V HA -0.201 3.880 4.120 -0.066 0.000 0.248 223 V C 2.024 177.966 176.094 -0.253 0.000 1.051 223 V CA 1.239 63.239 62.300 -0.500 0.000 1.048 223 V CB -0.281 31.346 31.823 -0.327 0.000 0.666 223 V HN 0.366 8.556 8.190 -0.000 0.000 0.456 224 L N -0.308 120.843 121.223 -0.119 0.000 2.127 224 L HA -0.211 4.089 4.340 -0.066 0.000 0.211 224 L C 2.594 179.451 176.870 -0.022 0.000 1.089 224 L CA 1.864 56.679 54.840 -0.041 0.000 0.757 224 L CB -0.409 41.634 42.059 -0.026 0.000 0.899 224 L HN 0.356 8.586 8.230 -0.000 0.000 0.434 225 K N -1.179 119.203 120.400 -0.031 0.000 2.288 225 K HA -0.095 4.185 4.320 -0.066 0.000 0.201 225 K C 1.908 178.494 176.600 -0.024 0.000 1.048 225 K CA 0.825 57.098 56.287 -0.024 0.000 0.956 225 K CB -0.033 32.445 32.500 -0.037 0.000 0.746 225 K HN 0.119 8.369 8.250 -0.000 0.000 0.461 226 F N 1.589 121.310 119.950 -0.381 0.000 2.206 226 F HA -0.030 4.465 4.527 -0.053 0.000 0.298 226 F C 1.892 177.504 175.800 -0.313 0.000 1.090 226 F CA 1.007 58.610 58.000 -0.662 0.000 1.323 226 F CB -0.257 37.957 39.000 -1.309 0.000 1.028 226 F HN -0.123 8.177 8.300 -0.000 0.000 0.492 227 R N -0.113 120.452 120.500 0.108 0.000 2.323 227 R HA -0.023 4.277 4.340 -0.066 0.000 0.198 227 R C 1.620 178.005 176.300 0.141 0.000 0.988 227 R CA 0.376 56.634 56.100 0.265 0.000 1.041 227 R CB -0.141 30.295 30.300 0.225 0.000 0.926 227 R HN 0.232 8.502 8.270 -0.000 0.000 0.476 228 K N -0.216 120.222 120.400 0.064 0.000 2.352 228 K HA 0.076 4.356 4.320 -0.066 0.000 0.194 228 K C 0.177 176.777 176.600 0.000 0.000 1.038 228 K CA -0.142 56.156 56.287 0.017 0.000 1.023 228 K CB 0.334 32.825 32.500 -0.016 0.000 0.840 228 K HN -0.061 8.189 8.250 -0.000 0.000 0.519 229 L N 1.705 122.934 121.223 0.011 0.000 2.483 229 L HA -0.039 4.261 4.340 -0.066 0.000 0.277 229 L C -0.086 176.760 176.870 -0.039 0.000 1.248 229 L CA 1.000 55.838 54.840 -0.004 0.000 0.825 229 L CB 0.033 42.150 42.059 0.096 0.000 1.096 229 L HN 0.154 8.384 8.230 -0.000 0.000 0.512 230 N N 0.719 119.382 118.700 -0.061 0.000 2.238 230 N HA 0.274 4.975 4.740 -0.066 0.000 0.302 230 N C 0.053 175.526 175.510 -0.061 0.000 1.072 230 N CA -0.649 52.355 53.050 -0.076 0.000 0.792 230 N CB 1.452 39.932 38.487 -0.013 0.000 1.425 230 N HN 0.300 8.680 8.380 -0.000 0.000 0.478 231 F N 0.632 120.605 119.950 0.039 0.000 2.187 231 F HA -0.051 4.414 4.527 -0.103 0.000 0.295 231 F C 1.731 177.513 175.800 -0.031 0.000 1.091 231 F CA 0.320 58.323 58.000 0.005 0.000 1.308 231 F CB -0.308 38.705 39.000 0.022 0.000 1.030 231 F HN 0.509 8.809 8.300 -0.000 0.000 0.487 232 N N 1.005 119.817 118.700 0.187 0.000 2.381 232 N HA 0.127 4.827 4.740 -0.066 0.000 0.241 232 N C 0.275 175.807 175.510 0.036 0.000 1.279 232 N CA 0.532 53.636 53.050 0.089 0.000 0.896 232 N CB 0.768 39.301 38.487 0.077 0.000 1.118 232 N HN 0.143 8.523 8.380 -0.000 0.000 0.438 233 G N -0.438 108.371 108.800 0.014 0.000 2.434 233 G HA2 0.170 4.091 3.960 -0.066 0.000 0.330 233 G HA3 0.170 4.091 3.960 -0.066 0.000 0.330 233 G C -0.528 174.370 174.900 -0.003 0.000 1.155 233 G CA -0.647 44.450 45.100 -0.005 0.000 0.917 233 G HN 0.729 9.019 8.290 -0.000 0.000 0.493 234 E N -0.495 119.699 120.200 -0.010 0.000 2.502 234 E HA 0.271 4.581 4.350 -0.066 0.000 0.261 234 E C 1.312 177.908 176.600 -0.007 0.000 0.974 234 E CA 1.274 57.668 56.400 -0.010 0.000 0.936 234 E CB 0.137 29.828 29.700 -0.015 0.000 0.926 234 E HN 1.087 9.447 8.360 -0.000 0.000 0.459 235 G N 3.358 112.156 108.800 -0.004 0.000 2.147 235 G HA2 -0.279 3.641 3.960 -0.066 0.000 0.244 235 G HA3 -0.279 3.641 3.960 -0.066 0.000 0.244 235 G C -0.225 174.675 174.900 0.000 0.000 1.005 235 G CA 0.543 45.641 45.100 -0.003 0.000 0.713 235 G HN 0.571 8.861 8.290 -0.000 0.000 0.515 236 E N -0.007 120.196 120.200 0.004 0.000 2.339 236 E HA 0.562 4.872 4.350 -0.066 0.000 0.262 236 E C -2.582 174.027 176.600 0.016 0.000 0.934 236 E CA -2.326 54.079 56.400 0.009 0.000 0.802 236 E CB 1.459 31.165 29.700 0.010 0.000 1.275 236 E HN 0.099 8.459 8.360 -0.000 0.000 0.427 237 P HA -0.002 4.418 4.420 -0.000 0.000 0.268 237 P C -0.876 176.448 177.300 0.040 0.000 1.205 237 P CA 0.046 63.161 63.100 0.026 0.000 0.771 237 P CB 0.425 32.141 31.700 0.025 0.000 0.858 238 E N 1.756 121.981 120.200 0.041 0.000 2.217 238 E HA 0.036 4.346 4.350 -0.066 0.000 0.279 238 E C -0.465 176.181 176.600 0.076 0.000 1.068 238 E CA -0.192 56.238 56.400 0.050 0.000 0.882 238 E CB 0.252 29.973 29.700 0.036 0.000 1.039 238 E HN 0.342 8.702 8.360 -0.000 0.000 0.418 239 E N 6.019 126.285 120.200 0.111 0.000 2.121 239 E HA 0.166 4.476 4.350 -0.066 0.000 0.255 239 E C -0.588 176.101 176.600 0.147 0.000 0.906 239 E CA -0.537 55.980 56.400 0.195 0.000 0.745 239 E CB 0.565 30.438 29.700 0.288 0.000 1.155 239 E HN 0.605 8.965 8.360 -0.000 0.000 0.424 240 L N 4.156 125.423 121.223 0.075 0.000 2.540 240 L HA 0.051 4.351 4.340 -0.066 0.000 0.276 240 L C 0.933 177.630 176.870 -0.289 0.000 1.212 240 L CA 0.512 55.328 54.840 -0.040 0.000 0.893 240 L CB 0.341 42.420 42.059 0.035 0.000 1.138 240 L HN 0.579 8.809 8.230 -0.000 0.000 0.491 241 M N 6.161 125.465 119.600 -0.494 0.000 2.821 241 M HA 0.254 4.695 4.480 -0.066 0.000 0.305 241 M C -0.694 175.447 176.300 -0.264 0.000 1.466 241 M CA -0.255 54.486 55.300 -0.933 0.000 1.526 241 M CB -0.165 32.130 32.600 -0.509 0.000 1.321 241 M HN 0.459 8.749 8.290 -0.000 0.000 0.492 242 V N 0.846 120.606 119.914 -0.257 0.000 3.007 242 V HA 0.562 4.642 4.120 -0.066 0.000 0.311 242 V C -0.516 175.565 176.094 -0.022 0.000 1.120 242 V CA -0.972 61.304 62.300 -0.040 0.000 0.980 242 V CB 1.971 33.880 31.823 0.144 0.000 1.033 242 V HN 0.723 8.913 8.190 -0.000 0.000 0.429 243 D N 2.676 123.079 120.400 0.004 0.000 2.737 243 D HA -0.155 4.445 4.640 -0.066 0.000 0.238 243 D C 0.136 176.184 176.300 -0.419 0.000 1.157 243 D CA 1.361 55.336 54.000 -0.041 0.000 0.694 243 D CB -0.955 39.810 40.800 -0.058 0.000 1.021 243 D HN 1.066 9.436 8.370 -0.000 0.000 0.420 244 N N 0.299 118.729 118.700 -0.451 0.000 2.714 244 N HA 0.091 4.792 4.740 -0.066 0.000 0.298 244 N C -0.093 175.141 175.510 -0.461 0.000 1.298 244 N CA -0.668 51.772 53.050 -1.015 0.000 1.007 244 N CB -0.272 37.760 38.487 -0.758 0.000 1.318 244 N HN 0.492 8.872 8.380 -0.000 0.000 0.516 245 W N -0.468 120.732 121.300 -0.167 0.000 2.864 245 W HA 0.574 5.195 4.660 -0.066 0.000 0.343 245 W C -0.721 175.938 176.519 0.232 0.000 1.109 245 W CA -1.030 56.379 57.345 0.108 0.000 1.192 245 W CB 0.923 30.430 29.460 0.078 0.000 1.426 245 W HN -0.166 8.014 8.180 -0.000 0.000 0.529 246 R N 2.617 123.383 120.500 0.444 0.000 2.460 246 R HA 0.461 4.761 4.340 -0.066 0.000 0.303 246 R C -2.383 174.095 176.300 0.295 0.000 0.968 246 R CA -1.674 54.563 56.100 0.228 0.000 0.889 246 R CB 1.704 32.099 30.300 0.159 0.000 1.123 246 R HN 0.097 8.367 8.270 -0.000 0.000 0.455 247 P HA 0.059 4.479 4.420 -0.000 0.000 0.271 247 P C -1.058 176.272 177.300 0.050 0.000 1.218 247 P CA -0.180 63.036 63.100 0.194 0.000 0.780 247 P CB 0.822 32.584 31.700 0.104 0.000 0.901 248 A N 2.806 125.636 122.820 0.017 0.000 2.498 248 A HA 0.165 4.445 4.320 -0.066 0.000 0.239 248 A C 0.319 177.867 177.584 -0.061 0.000 1.068 248 A CA 0.095 52.094 52.037 -0.064 0.000 0.766 248 A CB -0.276 18.678 19.000 -0.077 0.000 1.003 248 A HN 0.441 8.591 8.150 -0.000 0.000 0.497 249 Q N 0.709 120.461 119.800 -0.080 0.000 2.195 249 Q HA 0.499 4.799 4.340 -0.066 0.000 0.250 249 Q C -2.491 173.467 176.000 -0.070 0.000 0.988 249 Q CA -2.107 53.658 55.803 -0.062 0.000 0.911 249 Q CB 0.105 28.819 28.738 -0.040 0.000 1.258 249 Q HN 0.522 8.792 8.270 -0.000 0.000 0.475 250 P HA 0.048 4.468 4.420 -0.000 0.000 0.276 250 P C 0.463 177.732 177.300 -0.053 0.000 1.235 250 P CA -0.301 62.768 63.100 -0.051 0.000 0.772 250 P CB 0.552 32.229 31.700 -0.038 0.000 0.871 251 L N 3.582 124.762 121.223 -0.071 0.000 2.141 251 L HA -0.064 4.236 4.340 -0.066 0.000 0.209 251 L C 0.654 177.508 176.870 -0.027 0.000 1.094 251 L CA 1.338 56.132 54.840 -0.078 0.000 0.763 251 L CB -1.160 40.836 42.059 -0.105 0.000 0.908 251 L HN 0.442 8.672 8.230 -0.000 0.000 0.437 252 K N 1.406 121.793 120.400 -0.021 0.000 3.689 252 K HA -0.319 3.961 4.320 -0.066 0.000 0.276 252 K C 0.759 177.363 176.600 0.007 0.000 0.932 252 K CA 0.657 56.942 56.287 -0.004 0.000 0.758 252 K CB -1.829 30.675 32.500 0.006 0.000 1.500 252 K HN 0.866 9.116 8.250 -0.000 0.000 0.448 253 N N -2.772 115.928 118.700 0.001 0.000 2.825 253 N HA -0.292 4.408 4.740 -0.066 0.000 0.206 253 N C -0.155 175.366 175.510 0.019 0.000 1.057 253 N CA 1.246 54.301 53.050 0.009 0.000 1.343 253 N CB -0.899 37.597 38.487 0.015 0.000 0.942 253 N HN 0.417 8.797 8.380 -0.000 0.000 0.562 254 R N 1.855 122.373 120.500 0.030 0.000 2.802 254 R HA 0.026 4.327 4.340 -0.066 0.000 0.264 254 R C 0.214 176.535 176.300 0.035 0.000 0.996 254 R CA 0.893 57.027 56.100 0.057 0.000 1.123 254 R CB 0.179 30.535 30.300 0.093 0.000 0.996 254 R HN 0.426 8.696 8.270 -0.000 0.000 0.444 255 Q N 1.930 121.768 119.800 0.063 0.000 2.353 255 Q HA 0.362 4.662 4.340 -0.066 0.000 0.268 255 Q C -1.151 174.904 176.000 0.090 0.000 1.045 255 Q CA -0.631 55.202 55.803 0.050 0.000 0.811 255 Q CB 1.425 30.191 28.738 0.045 0.000 1.305 255 Q HN 0.505 8.775 8.270 -0.000 0.000 0.447 256 I N 4.031 124.633 120.570 0.054 0.000 2.312 256 I HA 0.320 4.450 4.170 -0.066 0.000 0.290 256 I C -0.276 175.911 176.117 0.117 0.000 1.008 256 I CA -0.483 60.877 61.300 0.099 0.000 1.226 256 I CB 1.091 39.083 38.000 -0.013 0.000 1.371 256 I HN 0.381 8.591 8.210 -0.000 0.000 0.468 257 K N 5.064 125.566 120.400 0.170 0.000 2.110 257 K HA 0.787 5.068 4.320 -0.066 0.000 0.263 257 K C -0.500 176.197 176.600 0.161 0.000 0.975 257 K CA -0.625 55.728 56.287 0.111 0.000 0.895 257 K CB 2.221 34.766 32.500 0.076 0.000 1.060 257 K HN 0.664 8.914 8.250 -0.000 0.000 0.448 258 A N 0.663 123.490 122.820 0.012 0.000 2.350 258 A HA 0.315 4.595 4.320 -0.066 0.000 0.324 258 A C 0.489 177.865 177.584 -0.346 0.000 1.118 258 A CA -0.655 51.264 52.037 -0.196 0.000 0.783 258 A CB 1.185 19.966 19.000 -0.365 0.000 1.236 258 A HN 0.747 8.897 8.150 -0.000 0.000 0.457 259 S N 0.533 115.951 115.700 -0.470 0.000 2.556 259 S HA 0.421 4.851 4.470 -0.066 0.000 0.216 259 S C 0.133 174.764 174.600 0.051 0.000 0.970 259 S CA 0.224 58.180 58.200 -0.406 0.000 0.912 259 S CB -0.770 61.858 63.200 -0.954 0.000 0.790 259 S HN 1.254 9.564 8.310 -0.000 0.000 0.504 260 F N 0.000 119.960 119.950 0.017 0.000 2.286 260 F HA 0.000 4.487 4.527 -0.067 0.000 0.279 260 F CA 0.000 58.026 58.000 0.044 0.000 1.383 260 F CB 0.000 38.922 39.000 -0.130 0.000 1.145 260 F HN 0.000 8.300 8.300 -0.000 0.000 0.574