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 3dsv_1_B DATA FIRST_RESID 5 DATA SEQUENCE QKDVTIKSDA PDTLLLEKHA DYIASYGSXX XDYEYCMSEY LRMSGVYWGL DATA SEQUENCE TVMDLMGQLH RMNKEEILVF IKSCQHECGG VSASIGHDPH LLYTLSAVQI DATA SEQUENCE LTLYDSIHVI NVDKVVAYVQ SLQKEDGSFA GDIWGEIDTR FSFCAVATLA DATA SEQUENCE LLGKLDAINV EKAIEFVLSC MNFDGGFGCR PGSESHAGQI YCCTGFLAIT DATA SEQUENCE SQLHQVNSDL LGWWLCERQL PSGGLNGRPE KLPDVCYSWW VLASLKIIGR DATA SEQUENCE LHWIDREKLR SFILACQDEE TGGFADRPGD MVDPFHTLFG IAGLSLLGEE DATA SEQUENCE QIKPVSPVFC MPEEVLQRVN VQPELVS 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 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 5 Q C 0.000 175.981 176.000 -0.031 0.000 1.003 5 Q CA 0.000 55.779 55.803 -0.040 0.000 1.022 5 Q CB 0.000 28.719 28.738 -0.032 0.000 1.108 6 K N 1.691 122.071 120.400 -0.034 0.000 2.436 6 K HA 0.228 4.517 4.320 -0.052 0.000 0.282 6 K C -0.954 175.632 176.600 -0.024 0.000 1.044 6 K CA 0.688 56.963 56.287 -0.021 0.000 1.028 6 K CB 0.471 32.960 32.500 -0.020 0.000 0.919 6 K HN 0.165 8.415 8.250 0.000 0.000 0.474 7 D N 0.871 121.269 120.400 -0.003 0.000 2.639 7 D HA 0.209 4.818 4.640 -0.052 0.000 0.271 7 D C -1.336 174.989 176.300 0.043 0.000 1.254 7 D CA -0.606 53.398 54.000 0.008 0.000 0.810 7 D CB 1.513 42.309 40.800 -0.007 0.000 1.351 7 D HN 0.148 8.518 8.370 0.000 0.000 0.427 8 V N -1.085 118.880 119.914 0.084 0.000 2.863 8 V HA 0.850 4.938 4.120 -0.052 0.000 0.307 8 V C -0.130 176.017 176.094 0.089 0.000 1.061 8 V CA -0.193 62.168 62.300 0.102 0.000 1.024 8 V CB 1.497 33.421 31.823 0.168 0.000 1.049 8 V HN 0.528 8.718 8.190 0.000 0.000 0.471 9 T N 4.424 119.017 114.554 0.065 0.000 2.779 9 T HA 0.607 4.925 4.350 -0.052 0.000 0.280 9 T C -0.106 174.622 174.700 0.047 0.000 0.987 9 T CA -0.097 62.035 62.100 0.054 0.000 0.966 9 T CB 0.853 69.741 68.868 0.032 0.000 0.933 9 T HN 0.621 8.861 8.240 0.000 0.000 0.442 10 I N 4.234 124.836 120.570 0.053 0.000 2.441 10 I HA 0.231 4.370 4.170 -0.052 0.000 0.287 10 I C 0.970 177.093 176.117 0.008 0.000 1.049 10 I CA -0.664 60.650 61.300 0.023 0.000 1.381 10 I CB 0.725 38.745 38.000 0.033 0.000 1.409 10 I HN 0.539 8.749 8.210 0.000 0.000 0.523 11 K N 3.619 124.014 120.400 -0.009 0.000 2.126 11 K HA 0.267 4.556 4.320 -0.052 0.000 0.257 11 K C 0.850 177.443 176.600 -0.011 0.000 1.007 11 K CA -0.549 55.733 56.287 -0.009 0.000 0.928 11 K CB 0.813 33.304 32.500 -0.014 0.000 1.013 11 K HN 0.632 8.882 8.250 0.000 0.000 0.473 12 S N -0.185 115.510 115.700 -0.008 0.000 2.481 12 S HA -0.126 4.313 4.470 -0.052 0.000 0.231 12 S C 0.811 175.404 174.600 -0.012 0.000 0.996 12 S CA 0.841 59.037 58.200 -0.006 0.000 0.942 12 S CB -0.393 62.805 63.200 -0.003 0.000 0.768 12 S HN 0.829 9.139 8.310 0.000 0.000 0.520 13 D N 1.607 121.996 120.400 -0.018 0.000 2.388 13 D HA 0.369 4.978 4.640 -0.052 0.000 0.221 13 D C 0.433 176.713 176.300 -0.034 0.000 1.133 13 D CA -0.200 53.786 54.000 -0.023 0.000 0.831 13 D CB -0.239 40.547 40.800 -0.023 0.000 0.962 13 D HN 0.432 8.802 8.370 0.000 0.000 0.502 14 A N 1.630 124.428 122.820 -0.037 0.000 2.462 14 A HA 0.410 4.699 4.320 -0.052 0.000 0.243 14 A C -2.130 175.422 177.584 -0.053 0.000 1.076 14 A CA -0.962 51.042 52.037 -0.054 0.000 0.773 14 A CB -0.213 18.751 19.000 -0.060 0.000 1.010 14 A HN 0.072 8.222 8.150 0.000 0.000 0.493 15 P HA 0.070 4.490 4.420 0.000 0.000 0.264 15 P C -0.557 176.717 177.300 -0.043 0.000 1.183 15 P CA 0.424 63.485 63.100 -0.065 0.000 0.763 15 P CB 0.481 32.123 31.700 -0.098 0.000 0.807 16 D N -0.453 119.932 120.400 -0.025 0.000 2.563 16 D HA 0.062 4.671 4.640 -0.052 0.000 0.237 16 D C -0.134 176.170 176.300 0.007 0.000 1.282 16 D CA -0.182 53.816 54.000 -0.004 0.000 0.816 16 D CB -0.293 40.508 40.800 0.001 0.000 1.066 16 D HN 0.334 8.704 8.370 0.000 0.000 0.501 17 T N -2.251 112.303 114.554 -0.001 0.000 2.906 17 T HA 0.554 4.872 4.350 -0.052 0.000 0.295 17 T C -0.657 174.056 174.700 0.023 0.000 1.075 17 T CA -1.100 61.007 62.100 0.011 0.000 1.005 17 T CB 1.997 70.864 68.868 -0.003 0.000 1.136 17 T HN -0.001 8.239 8.240 0.000 0.000 0.498 18 L N 2.132 123.384 121.223 0.049 0.000 2.281 18 L HA 0.482 4.791 4.340 -0.052 0.000 0.285 18 L C -0.478 176.423 176.870 0.051 0.000 1.074 18 L CA -0.637 54.259 54.840 0.093 0.000 0.817 18 L CB -0.023 42.106 42.059 0.117 0.000 1.168 18 L HN 0.681 8.911 8.230 0.000 0.000 0.434 19 L N 6.527 127.761 121.223 0.018 0.000 2.828 19 L HA 0.152 4.461 4.340 -0.052 0.000 0.233 19 L C 0.957 177.677 176.870 -0.250 0.000 1.250 19 L CA -0.445 54.287 54.840 -0.180 0.000 1.125 19 L CB 0.351 42.193 42.059 -0.362 0.000 1.432 19 L HN 0.622 8.852 8.230 0.000 0.000 0.444 20 L N 0.521 121.745 121.223 0.002 0.000 2.017 20 L HA -0.176 4.132 4.340 -0.052 0.000 0.208 20 L C 2.462 179.342 176.870 0.018 0.000 1.073 20 L CA 1.772 56.675 54.840 0.104 0.000 0.745 20 L CB -0.365 41.755 42.059 0.101 0.000 0.894 20 L HN 0.526 8.756 8.230 0.000 0.000 0.432 21 E N -0.420 119.763 120.200 -0.028 0.000 2.070 21 E HA -0.327 3.992 4.350 -0.052 0.000 0.197 21 E C 2.287 178.856 176.600 -0.051 0.000 1.004 21 E CA 2.235 58.619 56.400 -0.026 0.000 0.805 21 E CB -0.005 29.677 29.700 -0.030 0.000 0.744 21 E HN 0.470 8.830 8.360 0.000 0.000 0.451 22 K N 0.543 120.854 120.400 -0.147 0.000 2.097 22 K HA -0.172 4.116 4.320 -0.052 0.000 0.206 22 K C 1.856 178.402 176.600 -0.090 0.000 1.049 22 K CA 1.793 57.981 56.287 -0.165 0.000 0.933 22 K CB -1.068 31.262 32.500 -0.283 0.000 0.717 22 K HN 0.324 8.574 8.250 0.000 0.000 0.442 23 H N -0.208 118.897 119.070 0.059 0.000 2.363 23 H HA 0.162 4.687 4.556 -0.052 0.000 0.301 23 H C 2.591 178.002 175.328 0.138 0.000 1.074 23 H CA 1.294 57.417 56.048 0.124 0.000 1.354 23 H CB -0.495 29.353 29.762 0.144 0.000 1.397 23 H HN 0.538 8.818 8.280 0.000 0.000 0.516 24 A N 1.243 124.166 122.820 0.172 0.000 1.898 24 A HA -0.157 4.131 4.320 -0.052 0.000 0.216 24 A C 2.045 179.668 177.584 0.065 0.000 1.181 24 A CA 1.738 53.828 52.037 0.089 0.000 0.620 24 A CB -0.255 18.769 19.000 0.040 0.000 0.819 24 A HN 0.235 8.385 8.150 0.000 0.000 0.442 25 D N -1.595 118.847 120.400 0.069 0.000 2.117 25 D HA -0.165 4.443 4.640 -0.052 0.000 0.197 25 D C 1.669 178.028 176.300 0.099 0.000 0.987 25 D CA 1.616 55.651 54.000 0.059 0.000 0.829 25 D CB -0.457 40.371 40.800 0.046 0.000 0.961 25 D HN 0.604 8.974 8.370 0.000 0.000 0.460 26 Y N 1.308 121.636 120.300 0.048 0.000 2.145 26 Y HA -0.189 4.330 4.550 -0.052 0.000 0.286 26 Y C 2.053 178.018 175.900 0.108 0.000 1.145 26 Y CA 1.312 59.462 58.100 0.083 0.000 1.148 26 Y CB -0.237 38.288 38.460 0.109 0.000 0.981 26 Y HN -0.117 8.163 8.280 0.000 0.000 0.507 27 I N 0.589 121.140 120.570 -0.033 0.000 2.252 27 I HA -0.226 3.913 4.170 -0.052 0.000 0.245 27 I C 2.698 178.766 176.117 -0.083 0.000 1.102 27 I CA 1.438 62.660 61.300 -0.131 0.000 1.385 27 I CB -2.017 35.967 38.000 -0.027 0.000 1.064 27 I HN 0.368 8.578 8.210 0.000 0.000 0.414 28 A N 0.251 123.043 122.820 -0.045 0.000 1.978 28 A HA -0.173 4.115 4.320 -0.052 0.000 0.220 28 A C 2.492 180.044 177.584 -0.053 0.000 1.170 28 A CA 2.156 54.166 52.037 -0.045 0.000 0.636 28 A CB -0.610 18.365 19.000 -0.040 0.000 0.810 28 A HN 0.435 8.585 8.150 0.000 0.000 0.448 29 S N -2.362 113.299 115.700 -0.065 0.000 2.524 29 S HA 0.129 4.568 4.470 -0.052 0.000 0.216 29 S C 0.436 174.959 174.600 -0.128 0.000 0.987 29 S CA -0.459 57.691 58.200 -0.083 0.000 0.909 29 S CB -0.269 62.898 63.200 -0.055 0.000 0.781 29 S HN 0.582 8.892 8.310 0.000 0.000 0.521 30 Y N 2.408 122.536 120.300 -0.287 0.000 2.712 30 Y HA 0.326 4.845 4.550 -0.052 0.000 0.333 30 Y C 1.246 177.009 175.900 -0.228 0.000 1.225 30 Y CA 0.901 58.818 58.100 -0.305 0.000 1.499 30 Y CB 0.041 38.278 38.460 -0.372 0.000 1.288 30 Y HN 0.262 8.542 8.280 0.000 0.000 0.575 31 G N 2.830 111.060 108.800 -0.950 0.000 2.141 31 G HA2 -0.253 3.676 3.960 -0.052 0.000 0.231 31 G HA3 -0.253 3.676 3.960 -0.052 0.000 0.231 31 G C 0.112 174.569 174.900 -0.738 0.000 0.984 31 G CA 0.178 44.643 45.100 -1.058 0.000 0.660 31 G HN 0.764 9.054 8.290 0.000 0.000 0.525 37 Y N 1.711 122.057 120.300 0.077 0.000 2.128 37 Y HA -0.071 4.447 4.550 -0.053 0.000 0.284 37 Y C 2.013 177.983 175.900 0.118 0.000 1.154 37 Y CA 3.333 61.486 58.100 0.088 0.000 1.149 37 Y CB 0.022 38.527 38.460 0.075 0.000 0.976 37 Y HN 0.122 8.402 8.280 0.000 0.000 0.505 38 E N -2.089 118.219 120.200 0.179 0.000 2.601 38 E HA 0.129 4.448 4.350 -0.052 0.000 0.219 38 E C 1.090 177.794 176.600 0.173 0.000 0.964 38 E CA 0.142 56.620 56.400 0.129 0.000 1.050 38 E CB -1.156 28.715 29.700 0.284 0.000 1.068 38 E HN 0.491 8.851 8.360 0.000 0.000 0.496 39 Y N 0.278 120.613 120.300 0.058 0.000 1.657 39 Y HA -0.479 4.039 4.550 -0.052 0.000 0.129 39 Y C 2.554 178.418 175.900 -0.059 0.000 0.911 39 Y CA 2.809 60.885 58.100 -0.041 0.000 0.638 39 Y CB -1.204 37.177 38.460 -0.132 0.000 0.592 39 Y HN 0.421 8.701 8.280 0.000 0.000 0.685 40 C N -0.722 118.542 119.300 -0.060 0.000 2.539 40 C HA -0.011 4.417 4.460 -0.052 0.000 0.268 40 C C 2.337 177.247 174.990 -0.133 0.000 1.395 40 C CA 1.058 60.040 59.018 -0.060 0.000 1.757 40 C CB -0.872 26.850 27.740 -0.030 0.000 1.851 40 C HN 0.620 8.850 8.230 0.000 0.000 0.545 41 M N -1.145 118.369 119.600 -0.142 0.000 2.060 41 M HA 0.097 4.546 4.480 -0.052 0.000 0.273 41 M C 1.836 178.156 176.300 0.034 0.000 1.139 41 M CA 0.756 55.985 55.300 -0.117 0.000 1.091 41 M CB -0.604 31.823 32.600 -0.288 0.000 1.860 41 M HN 0.302 8.592 8.290 0.000 0.000 0.638 42 S N -0.407 115.235 115.700 -0.095 0.000 2.634 42 S HA 0.051 4.490 4.470 -0.052 0.000 0.221 42 S C 1.213 175.509 174.600 -0.507 0.000 0.952 42 S CA 0.276 58.285 58.200 -0.319 0.000 0.930 42 S CB -0.284 62.791 63.200 -0.209 0.000 0.780 42 S HN 0.475 8.785 8.310 0.000 0.000 0.498 43 E N 1.613 121.630 120.200 -0.304 0.000 2.160 43 E HA -0.260 4.059 4.350 -0.052 0.000 0.195 43 E C 1.531 177.928 176.600 -0.337 0.000 0.991 43 E CA 1.542 57.751 56.400 -0.319 0.000 0.810 43 E CB -0.460 29.145 29.700 -0.158 0.000 0.742 43 E HN 0.968 9.328 8.360 0.000 0.000 0.466 44 Y N 0.244 120.517 120.300 -0.046 0.000 2.556 44 Y HA -0.098 4.420 4.550 -0.053 0.000 0.290 44 Y C 1.660 177.420 175.900 -0.234 0.000 1.149 44 Y CA 0.860 58.953 58.100 -0.012 0.000 1.329 44 Y CB -0.355 38.162 38.460 0.095 0.000 0.975 44 Y HN 0.143 8.423 8.280 0.000 0.000 0.561 45 L N -1.150 119.605 121.223 -0.780 0.000 3.122 45 L HA 0.503 4.812 4.340 -0.052 0.000 0.274 45 L C 1.771 178.355 176.870 -0.476 0.000 1.222 45 L CA -0.119 54.392 54.840 -0.549 0.000 1.028 45 L CB -0.055 41.791 42.059 -0.355 0.000 1.386 45 L HN 0.076 8.306 8.230 0.000 0.000 0.578 46 R N 1.209 121.430 120.500 -0.465 0.000 2.103 46 R HA -0.211 4.097 4.340 -0.052 0.000 0.242 46 R C 2.033 178.215 176.300 -0.197 0.000 1.142 46 R CA 2.700 58.605 56.100 -0.325 0.000 0.960 46 R CB -0.615 29.521 30.300 -0.273 0.000 0.858 46 R HN 0.523 8.793 8.270 0.000 0.000 0.439 47 M N -0.204 119.328 119.600 -0.113 0.000 2.108 47 M HA -0.103 4.346 4.480 -0.052 0.000 0.261 47 M C 1.985 178.253 176.300 -0.055 0.000 1.066 47 M CA 1.986 57.318 55.300 0.054 0.000 1.107 47 M CB -0.351 32.282 32.600 0.055 0.000 1.356 47 M HN 0.169 8.459 8.290 0.000 0.000 0.406 48 S N -0.057 115.546 115.700 -0.161 0.000 2.368 48 S HA -0.009 4.430 4.470 -0.052 0.000 0.224 48 S C 1.958 175.787 174.600 -1.285 0.000 1.029 48 S CA 1.136 59.048 58.200 -0.480 0.000 0.988 48 S CB -1.113 61.927 63.200 -0.267 0.000 0.838 48 S HN 0.744 9.054 8.310 0.000 0.000 0.462 49 G N 1.513 109.679 108.800 -1.057 0.000 2.469 49 G HA2 -0.199 3.730 3.960 -0.052 0.000 0.219 49 G HA3 -0.199 3.730 3.960 -0.052 0.000 0.219 49 G C 1.453 176.170 174.900 -0.304 0.000 1.150 49 G CA 1.200 45.920 45.100 -0.634 0.000 0.763 49 G HN 0.424 8.714 8.290 0.000 0.000 0.561 50 V N 0.101 119.886 119.914 -0.215 0.000 2.343 50 V HA -0.210 3.878 4.120 -0.052 0.000 0.247 50 V C 2.318 178.363 176.094 -0.081 0.000 1.051 50 V CA 1.870 64.118 62.300 -0.087 0.000 1.036 50 V CB -0.766 31.054 31.823 -0.005 0.000 0.654 50 V HN 0.541 8.731 8.190 0.000 0.000 0.451 51 Y N -0.011 120.154 120.300 -0.225 0.000 2.165 51 Y HA -0.242 4.276 4.550 -0.053 0.000 0.286 51 Y C 2.225 178.055 175.900 -0.117 0.000 1.155 51 Y CA 1.551 59.544 58.100 -0.178 0.000 1.164 51 Y CB -0.451 37.909 38.460 -0.167 0.000 0.978 51 Y HN 0.266 8.546 8.280 0.000 0.000 0.513 52 W N 0.597 121.592 121.300 -0.510 0.000 2.355 52 W HA -0.031 4.599 4.660 -0.051 0.000 0.309 52 W C 2.751 178.960 176.519 -0.518 0.000 1.206 52 W CA 1.274 58.206 57.345 -0.688 0.000 1.284 52 W CB -1.539 27.644 29.460 -0.461 0.000 1.145 52 W HN 0.254 8.434 8.180 0.000 0.000 0.502 53 G N 0.366 109.091 108.800 -0.124 0.000 2.421 53 G HA2 -0.191 3.737 3.960 -0.052 0.000 0.216 53 G HA3 -0.191 3.737 3.960 -0.052 0.000 0.216 53 G C 1.518 176.326 174.900 -0.153 0.000 1.171 53 G CA 0.836 45.859 45.100 -0.128 0.000 0.775 53 G HN 0.033 8.323 8.290 0.000 0.000 0.543 54 L N 1.056 122.183 121.223 -0.161 0.000 2.017 54 L HA -0.013 4.296 4.340 -0.052 0.000 0.208 54 L C 3.177 179.921 176.870 -0.209 0.000 1.073 54 L CA 1.978 56.717 54.840 -0.170 0.000 0.745 54 L CB -1.173 40.780 42.059 -0.178 0.000 0.894 54 L HN 0.177 8.407 8.230 0.000 0.000 0.432 55 T N -1.487 112.897 114.554 -0.284 0.000 2.708 55 T HA -0.186 4.133 4.350 -0.052 0.000 0.266 55 T C 2.014 176.555 174.700 -0.265 0.000 1.037 55 T CA 1.511 63.437 62.100 -0.290 0.000 1.146 55 T CB -0.472 68.110 68.868 -0.476 0.000 0.865 55 T HN 0.158 8.398 8.240 0.000 0.000 0.435 56 V N 1.582 121.317 119.914 -0.299 0.000 2.427 56 V HA -0.139 3.950 4.120 -0.052 0.000 0.248 56 V C 2.300 178.306 176.094 -0.146 0.000 1.051 56 V CA 1.449 63.600 62.300 -0.248 0.000 1.048 56 V CB -0.477 31.181 31.823 -0.275 0.000 0.666 56 V HN 0.397 8.587 8.190 0.000 0.000 0.456 57 M N -0.568 118.957 119.600 -0.126 0.000 2.117 57 M HA -0.137 4.312 4.480 -0.052 0.000 0.262 57 M C 2.047 178.303 176.300 -0.073 0.000 1.065 57 M CA 2.031 57.279 55.300 -0.086 0.000 1.114 57 M CB -1.481 31.065 32.600 -0.090 0.000 1.361 57 M HN 0.400 8.690 8.290 0.000 0.000 0.408 58 D N 0.601 120.947 120.400 -0.091 0.000 2.117 58 D HA -0.084 4.525 4.640 -0.052 0.000 0.197 58 D C 2.148 178.422 176.300 -0.044 0.000 0.987 58 D CA 0.976 54.940 54.000 -0.060 0.000 0.829 58 D CB -0.092 40.659 40.800 -0.081 0.000 0.961 58 D HN 0.298 8.668 8.370 0.000 0.000 0.460 59 L N -0.451 120.729 121.223 -0.072 0.000 2.191 59 L HA -0.081 4.228 4.340 -0.052 0.000 0.212 59 L C 2.216 179.070 176.870 -0.026 0.000 1.103 59 L CA 0.706 55.512 54.840 -0.055 0.000 0.769 59 L CB -0.271 41.730 42.059 -0.097 0.000 0.908 59 L HN 0.098 8.328 8.230 0.000 0.000 0.438 60 M N -0.930 118.656 119.600 -0.022 0.000 2.495 60 M HA 0.196 4.644 4.480 -0.052 0.000 0.237 60 M C 1.247 177.564 176.300 0.028 0.000 1.131 60 M CA 0.570 55.877 55.300 0.011 0.000 1.032 60 M CB 0.419 33.033 32.600 0.023 0.000 1.513 60 M HN 0.352 8.642 8.290 0.000 0.000 0.488 61 G N 0.896 109.713 108.800 0.029 0.000 2.143 61 G HA2 -0.210 3.719 3.960 -0.052 0.000 0.248 61 G HA3 -0.210 3.719 3.960 -0.052 0.000 0.248 61 G C 0.373 175.341 174.900 0.113 0.000 0.991 61 G CA 0.039 45.180 45.100 0.067 0.000 0.689 61 G HN 0.494 8.784 8.290 0.000 0.000 0.522 62 Q N -0.923 118.893 119.800 0.026 0.000 2.135 62 Q HA 0.318 4.627 4.340 -0.052 0.000 0.222 62 Q C 2.072 177.929 176.000 -0.238 0.000 0.808 62 Q CA -0.200 55.524 55.803 -0.131 0.000 1.049 62 Q CB 0.353 29.018 28.738 -0.121 0.000 1.168 62 Q HN 0.526 8.796 8.270 0.000 0.000 0.483 63 L N 2.127 123.318 121.223 -0.054 0.000 2.127 63 L HA -0.185 4.124 4.340 -0.052 0.000 0.211 63 L C 2.364 179.236 176.870 0.004 0.000 1.089 63 L CA 2.014 56.837 54.840 -0.028 0.000 0.757 63 L CB -0.482 41.587 42.059 0.017 0.000 0.899 63 L HN 0.388 8.618 8.230 0.000 0.000 0.434 64 H N -0.927 118.179 119.070 0.060 0.000 2.489 64 H HA -0.123 4.401 4.556 -0.052 0.000 0.293 64 H C 1.721 177.079 175.328 0.050 0.000 1.066 64 H CA 1.237 57.323 56.048 0.063 0.000 1.305 64 H CB -0.518 29.270 29.762 0.043 0.000 1.386 64 H HN 0.417 8.697 8.280 0.000 0.000 0.551 65 R N -0.191 120.087 120.500 -0.369 0.000 2.307 65 R HA 0.115 4.424 4.340 -0.052 0.000 0.199 65 R C 0.387 176.645 176.300 -0.070 0.000 1.000 65 R CA 0.019 55.999 56.100 -0.200 0.000 1.023 65 R CB 0.252 30.387 30.300 -0.276 0.000 0.908 65 R HN 0.197 8.467 8.270 0.000 0.000 0.473 66 M N 0.292 119.878 119.600 -0.025 0.000 2.513 66 M HA 0.181 4.630 4.480 -0.052 0.000 0.291 66 M C -0.134 176.202 176.300 0.060 0.000 1.190 66 M CA -0.767 54.548 55.300 0.025 0.000 0.960 66 M CB 0.561 33.194 32.600 0.054 0.000 1.517 66 M HN -0.172 8.118 8.290 0.000 0.000 0.499 67 N N 1.519 120.254 118.700 0.057 0.000 2.949 67 N HA 0.145 4.853 4.740 -0.052 0.000 0.243 67 N C 0.644 176.163 175.510 0.014 0.000 1.113 67 N CA -0.066 52.999 53.050 0.026 0.000 0.980 67 N CB 0.966 39.453 38.487 0.000 0.000 1.256 67 N HN 0.579 8.959 8.380 0.000 0.000 0.508 68 K N 1.862 122.225 120.400 -0.062 0.000 1.991 68 K HA -0.220 4.069 4.320 -0.052 0.000 0.212 68 K C 1.500 177.935 176.600 -0.275 0.000 1.049 68 K CA 1.533 57.583 56.287 -0.395 0.000 0.932 68 K CB 0.160 32.251 32.500 -0.683 0.000 0.717 68 K HN 0.437 8.687 8.250 0.000 0.000 0.441 69 E N 0.446 120.545 120.200 -0.168 0.000 2.085 69 E HA -0.265 4.053 4.350 -0.052 0.000 0.194 69 E C 1.996 178.568 176.600 -0.047 0.000 0.994 69 E CA 1.622 57.959 56.400 -0.104 0.000 0.801 69 E CB -0.024 29.635 29.700 -0.069 0.000 0.743 69 E HN 0.441 8.801 8.360 0.000 0.000 0.453 70 E N 0.091 120.275 120.200 -0.027 0.000 2.106 70 E HA -0.183 4.136 4.350 -0.052 0.000 0.192 70 E C 2.094 178.729 176.600 0.058 0.000 0.984 70 E CA 1.162 57.566 56.400 0.008 0.000 0.806 70 E CB -0.059 29.636 29.700 -0.009 0.000 0.750 70 E HN 0.397 8.757 8.360 0.000 0.000 0.458 71 I N 0.802 121.411 120.570 0.065 0.000 2.353 71 I HA -0.254 3.885 4.170 -0.052 0.000 0.248 71 I C 2.256 178.485 176.117 0.186 0.000 1.119 71 I CA 0.640 62.042 61.300 0.169 0.000 1.417 71 I CB -0.082 38.054 38.000 0.227 0.000 1.078 71 I HN 0.181 8.391 8.210 0.000 0.000 0.421 72 L N -0.287 120.978 121.223 0.070 0.000 2.093 72 L HA -0.166 4.143 4.340 -0.052 0.000 0.208 72 L C 2.551 179.450 176.870 0.048 0.000 1.085 72 L CA 0.867 55.733 54.840 0.044 0.000 0.755 72 L CB -0.599 41.441 42.059 -0.031 0.000 0.904 72 L HN 0.082 8.312 8.230 0.000 0.000 0.435 73 V N -0.351 119.598 119.914 0.057 0.000 2.358 73 V HA -0.296 3.793 4.120 -0.052 0.000 0.246 73 V C 2.268 178.413 176.094 0.086 0.000 1.047 73 V CA 1.785 64.117 62.300 0.053 0.000 1.035 73 V CB -0.581 31.271 31.823 0.048 0.000 0.658 73 V HN 0.346 8.536 8.190 0.000 0.000 0.452 74 F N 0.788 120.729 119.950 -0.015 0.000 2.095 74 F HA -0.218 4.278 4.527 -0.053 0.000 0.298 74 F C 2.099 177.889 175.800 -0.017 0.000 1.104 74 F CA 1.732 59.722 58.000 -0.017 0.000 1.232 74 F CB -0.366 38.626 39.000 -0.012 0.000 0.987 74 F HN 0.063 8.363 8.300 0.000 0.000 0.475 75 I N 0.413 120.913 120.570 -0.117 0.000 2.127 75 I HA -0.353 3.786 4.170 -0.052 0.000 0.241 75 I C 2.568 178.577 176.117 -0.180 0.000 1.075 75 I CA 1.982 63.161 61.300 -0.202 0.000 1.334 75 I CB -0.604 37.386 38.000 -0.017 0.000 1.040 75 I HN 0.131 8.341 8.210 0.000 0.000 0.405 76 K N 0.743 121.085 120.400 -0.096 0.000 2.103 76 K HA -0.167 4.121 4.320 -0.052 0.000 0.207 76 K C 2.065 178.591 176.600 -0.123 0.000 1.048 76 K CA 1.742 57.978 56.287 -0.085 0.000 0.930 76 K CB -0.015 32.459 32.500 -0.045 0.000 0.716 76 K HN 0.145 8.395 8.250 0.000 0.000 0.444 77 S N -0.317 115.295 115.700 -0.146 0.000 2.507 77 S HA -0.078 4.360 4.470 -0.052 0.000 0.235 77 S C 1.415 175.872 174.600 -0.238 0.000 0.988 77 S CA 0.789 58.892 58.200 -0.161 0.000 0.944 77 S CB -0.052 63.084 63.200 -0.106 0.000 0.762 77 S HN 0.430 8.740 8.310 0.000 0.000 0.526 78 C N 1.064 120.187 119.300 -0.296 0.000 2.791 78 C HA 0.287 4.716 4.460 -0.052 0.000 0.270 78 C C 0.972 175.904 174.990 -0.096 0.000 1.257 78 C CA -0.652 58.211 59.018 -0.258 0.000 1.699 78 C CB -1.142 26.343 27.740 -0.425 0.000 1.904 78 C HN 0.550 8.780 8.230 0.000 0.000 0.603 79 Q N 1.353 121.078 119.800 -0.125 0.000 2.279 79 Q HA 0.197 4.505 4.340 -0.052 0.000 0.256 79 Q C -0.230 175.713 176.000 -0.095 0.000 0.937 79 Q CA 0.093 55.860 55.803 -0.061 0.000 0.933 79 Q CB 0.482 29.176 28.738 -0.073 0.000 1.189 79 Q HN 0.636 8.906 8.270 0.000 0.000 0.417 80 H N 2.045 121.033 119.070 -0.137 0.000 2.500 80 H HA -0.003 4.522 4.556 -0.052 0.000 0.351 80 H C 0.306 175.580 175.328 -0.090 0.000 1.281 80 H CA -0.443 55.542 56.048 -0.104 0.000 1.368 80 H CB 1.441 31.139 29.762 -0.108 0.000 1.616 80 H HN 0.757 9.037 8.280 0.000 0.000 0.591 81 E N 0.775 121.005 120.200 0.051 0.000 2.204 81 E HA -0.137 4.182 4.350 -0.052 0.000 0.195 81 E C 1.987 178.602 176.600 0.024 0.000 0.990 81 E CA 1.385 57.796 56.400 0.019 0.000 0.821 81 E CB -0.372 29.340 29.700 0.019 0.000 0.750 81 E HN 0.622 8.982 8.360 0.000 0.000 0.477 82 C N -2.140 117.180 119.300 0.034 0.000 2.472 82 C HA 0.470 4.899 4.460 -0.052 0.000 0.278 82 C C 2.036 177.046 174.990 0.034 0.000 1.447 82 C CA 0.308 59.355 59.018 0.048 0.000 1.773 82 C CB -0.934 26.854 27.740 0.080 0.000 1.793 82 C HN 0.537 8.767 8.230 0.000 0.000 0.544 83 G N -0.031 108.740 108.800 -0.048 0.000 2.254 83 G HA2 0.034 3.962 3.960 -0.052 0.000 0.225 83 G HA3 0.034 3.962 3.960 -0.052 0.000 0.225 83 G C 0.484 175.231 174.900 -0.255 0.000 1.003 83 G CA 0.112 45.172 45.100 -0.067 0.000 0.622 83 G HN 1.202 9.492 8.290 0.000 0.000 0.507 84 G N -0.437 107.923 108.800 -0.733 0.000 2.569 84 G HA2 0.585 4.513 3.960 -0.052 0.000 0.249 84 G HA3 0.585 4.513 3.960 -0.052 0.000 0.249 84 G C -0.138 174.488 174.900 -0.457 0.000 1.216 84 G CA 0.416 44.770 45.100 -1.245 0.000 0.845 84 G HN 1.025 9.315 8.290 0.000 0.000 0.568 85 V N 0.902 120.652 119.914 -0.273 0.000 2.513 85 V HA 0.538 4.626 4.120 -0.052 0.000 0.299 85 V C 0.532 176.642 176.094 0.027 0.000 1.035 85 V CA -0.643 61.623 62.300 -0.057 0.000 0.889 85 V CB 1.460 33.263 31.823 -0.032 0.000 0.988 85 V HN 1.049 9.239 8.190 0.000 0.000 0.440 86 S N 3.295 119.034 115.700 0.064 0.000 2.713 86 S HA 0.674 5.113 4.470 -0.052 0.000 0.283 86 S C 1.133 175.703 174.600 -0.051 0.000 1.161 86 S CA 0.019 58.263 58.200 0.074 0.000 0.999 86 S CB 1.773 65.051 63.200 0.129 0.000 1.039 86 S HN 1.036 9.346 8.310 0.000 0.000 0.548 87 A N 0.416 123.053 122.820 -0.305 0.000 2.014 87 A HA 0.361 4.649 4.320 -0.052 0.000 0.218 87 A C 1.183 178.550 177.584 -0.362 0.000 1.163 87 A CA 1.046 52.684 52.037 -0.665 0.000 0.652 87 A CB -0.590 17.693 19.000 -1.194 0.000 0.808 87 A HN 0.935 9.085 8.150 0.000 0.000 0.449 88 S N -2.535 112.958 115.700 -0.346 0.000 2.611 88 S HA 0.516 4.954 4.470 -0.052 0.000 0.268 88 S C -1.090 173.441 174.600 -0.114 0.000 1.156 88 S CA -0.777 57.284 58.200 -0.232 0.000 0.817 88 S CB 0.465 63.365 63.200 -0.500 0.000 1.122 88 S HN 0.242 8.552 8.310 0.000 0.000 0.466 89 I N 2.697 123.270 120.570 0.004 0.000 2.668 89 I HA 0.333 4.472 4.170 -0.052 0.000 0.285 89 I C 1.619 177.832 176.117 0.161 0.000 1.168 89 I CA 1.586 62.911 61.300 0.041 0.000 1.424 89 I CB 0.349 38.383 38.000 0.057 0.000 1.377 89 I HN 1.072 9.282 8.210 0.000 0.000 0.560 90 G N 4.075 112.971 108.800 0.159 0.000 2.225 90 G HA2 -0.236 3.693 3.960 -0.052 0.000 0.254 90 G HA3 -0.236 3.693 3.960 -0.052 0.000 0.254 90 G C 0.377 175.434 174.900 0.261 0.000 0.988 90 G CA -0.261 44.955 45.100 0.194 0.000 0.625 90 G HN 0.705 8.995 8.290 0.000 0.000 0.527 91 H N 0.724 119.854 119.070 0.100 0.000 2.534 91 H HA 0.388 4.912 4.556 -0.052 0.000 0.364 91 H C -0.431 174.942 175.328 0.076 0.000 1.328 91 H CA -0.262 55.830 56.048 0.075 0.000 1.415 91 H CB 0.696 30.470 29.762 0.021 0.000 1.573 91 H HN 0.188 8.468 8.280 0.000 0.000 0.601 92 D N 1.912 122.393 120.400 0.135 0.000 2.225 92 D HA 0.168 4.776 4.640 -0.052 0.000 0.249 92 D C -2.096 174.157 176.300 -0.078 0.000 1.052 92 D CA -1.607 52.373 54.000 -0.033 0.000 0.909 92 D CB 0.921 41.777 40.800 0.093 0.000 1.186 92 D HN 0.262 8.632 8.370 0.000 0.000 0.431 93 P HA 0.138 4.558 4.420 0.000 0.000 0.271 93 P C -0.826 176.542 177.300 0.113 0.000 1.218 93 P CA 0.170 63.134 63.100 -0.227 0.000 0.780 93 P CB 0.705 32.101 31.700 -0.506 0.000 0.901 94 H N 0.541 119.664 119.070 0.089 0.000 3.064 94 H HA 0.195 4.719 4.556 -0.053 0.000 0.352 94 H C 0.470 175.837 175.328 0.065 0.000 1.260 94 H CA -0.740 55.377 56.048 0.115 0.000 1.160 94 H CB 0.824 30.647 29.762 0.101 0.000 1.879 94 H HN 0.038 8.318 8.280 0.000 0.000 0.544 95 L N 2.931 124.074 121.223 -0.132 0.000 2.079 95 L HA -0.103 4.206 4.340 -0.052 0.000 0.210 95 L C 1.899 178.796 176.870 0.045 0.000 1.081 95 L CA 1.471 56.296 54.840 -0.026 0.000 0.752 95 L CB -0.947 40.977 42.059 -0.225 0.000 0.896 95 L HN 0.765 8.995 8.230 0.000 0.000 0.433 96 L N -2.112 119.172 121.223 0.102 0.000 2.012 96 L HA -0.291 4.017 4.340 -0.052 0.000 0.210 96 L C 2.328 179.014 176.870 -0.307 0.000 1.073 96 L CA 1.498 56.225 54.840 -0.189 0.000 0.748 96 L CB -0.665 41.023 42.059 -0.618 0.000 0.891 96 L HN 0.260 8.490 8.230 0.000 0.000 0.431 97 Y N -1.274 119.116 120.300 0.151 0.000 2.475 97 Y HA -0.046 4.473 4.550 -0.052 0.000 0.289 97 Y C 2.711 178.621 175.900 0.017 0.000 1.121 97 Y CA 0.616 58.749 58.100 0.055 0.000 1.257 97 Y CB -1.303 37.177 38.460 0.034 0.000 1.026 97 Y HN 0.071 8.351 8.280 0.000 0.000 0.555 98 T N 0.920 115.536 114.554 0.103 0.000 2.746 98 T HA -0.171 4.147 4.350 -0.052 0.000 0.267 98 T C 1.995 176.702 174.700 0.013 0.000 1.039 98 T CA 1.407 63.536 62.100 0.047 0.000 1.142 98 T CB -0.574 68.338 68.868 0.074 0.000 0.866 98 T HN 0.202 8.442 8.240 0.000 0.000 0.444 99 L N 1.377 122.600 121.223 0.000 0.000 1.994 99 L HA -0.050 4.259 4.340 -0.052 0.000 0.208 99 L C 2.488 179.303 176.870 -0.091 0.000 1.071 99 L CA 1.806 56.621 54.840 -0.041 0.000 0.745 99 L CB -1.103 40.941 42.059 -0.025 0.000 0.892 99 L HN 0.097 8.327 8.230 0.000 0.000 0.431 100 S N -0.013 115.636 115.700 -0.085 0.000 2.359 100 S HA -0.219 4.220 4.470 -0.052 0.000 0.224 100 S C 2.097 176.653 174.600 -0.073 0.000 1.035 100 S CA 1.297 59.395 58.200 -0.171 0.000 1.018 100 S CB -0.779 62.415 63.200 -0.010 0.000 0.876 100 S HN 0.708 9.018 8.310 0.000 0.000 0.448 101 A N 0.990 123.810 122.820 -0.000 0.000 1.883 101 A HA -0.078 4.210 4.320 -0.052 0.000 0.217 101 A C 2.343 179.923 177.584 -0.007 0.000 1.186 101 A CA 1.707 53.752 52.037 0.012 0.000 0.624 101 A CB -0.926 18.074 19.000 -0.000 0.000 0.822 101 A HN 0.360 8.510 8.150 0.000 0.000 0.444 102 V N -0.155 119.739 119.914 -0.033 0.000 2.515 102 V HA -0.283 3.805 4.120 -0.052 0.000 0.250 102 V C 2.600 178.663 176.094 -0.052 0.000 1.058 102 V CA 2.130 64.403 62.300 -0.045 0.000 1.064 102 V CB -0.841 30.950 31.823 -0.053 0.000 0.675 102 V HN 0.633 8.823 8.190 0.000 0.000 0.461 103 Q N -0.449 119.305 119.800 -0.077 0.000 2.079 103 Q HA -0.148 4.161 4.340 -0.052 0.000 0.200 103 Q C 2.279 178.284 176.000 0.009 0.000 0.974 103 Q CA 1.762 57.526 55.803 -0.065 0.000 0.840 103 Q CB -0.216 28.382 28.738 -0.233 0.000 0.898 103 Q HN 0.570 8.840 8.270 0.000 0.000 0.430 104 I N 0.655 121.245 120.570 0.034 0.000 2.127 104 I HA -0.320 3.819 4.170 -0.052 0.000 0.241 104 I C 2.154 178.295 176.117 0.040 0.000 1.075 104 I CA 1.227 62.553 61.300 0.043 0.000 1.334 104 I CB -0.283 37.779 38.000 0.103 0.000 1.040 104 I HN 0.198 8.408 8.210 0.000 0.000 0.405 105 L N -0.135 121.129 121.223 0.067 0.000 2.131 105 L HA -0.200 4.109 4.340 -0.052 0.000 0.210 105 L C 2.580 179.480 176.870 0.049 0.000 1.092 105 L CA 1.390 56.283 54.840 0.087 0.000 0.759 105 L CB -1.007 41.069 42.059 0.028 0.000 0.903 105 L HN 0.298 8.528 8.230 0.000 0.000 0.435 106 T N 0.308 114.859 114.554 -0.005 0.000 2.737 106 T HA -0.133 4.186 4.350 -0.052 0.000 0.265 106 T C 1.996 176.686 174.700 -0.016 0.000 1.038 106 T CA 1.105 63.188 62.100 -0.029 0.000 1.144 106 T CB -0.264 68.561 68.868 -0.072 0.000 0.866 106 T HN 0.193 8.433 8.240 0.000 0.000 0.434 107 L N -0.423 120.774 121.223 -0.043 0.000 2.081 107 L HA -0.142 4.167 4.340 -0.052 0.000 0.212 107 L C 1.949 178.784 176.870 -0.057 0.000 1.080 107 L CA 1.421 56.202 54.840 -0.100 0.000 0.754 107 L CB -0.482 41.440 42.059 -0.228 0.000 0.893 107 L HN 0.295 8.525 8.230 0.000 0.000 0.433 108 Y N -0.995 119.315 120.300 0.017 0.000 2.468 108 Y HA 0.045 4.564 4.550 -0.052 0.000 0.268 108 Y C 0.663 176.568 175.900 0.008 0.000 1.177 108 Y CA -0.844 57.266 58.100 0.016 0.000 1.265 108 Y CB -0.536 37.937 38.460 0.021 0.000 1.103 108 Y HN 0.136 8.416 8.280 0.000 0.000 0.522 109 D N 0.332 120.814 120.400 0.136 0.000 2.692 109 D HA -0.202 4.407 4.640 -0.052 0.000 0.233 109 D C -0.344 175.998 176.300 0.070 0.000 1.172 109 D CA 0.985 55.030 54.000 0.075 0.000 0.636 109 D CB -0.958 39.880 40.800 0.064 0.000 1.028 109 D HN 0.183 8.553 8.370 0.000 0.000 0.419 110 S N 0.205 115.949 115.700 0.073 0.000 2.668 110 S HA 0.206 4.645 4.470 -0.052 0.000 0.244 110 S C 1.638 176.237 174.600 -0.002 0.000 1.140 110 S CA -0.735 57.493 58.200 0.048 0.000 1.134 110 S CB 0.404 63.638 63.200 0.056 0.000 0.954 110 S HN 0.253 8.563 8.310 0.000 0.000 0.490 111 I N 1.899 122.423 120.570 -0.078 0.000 2.264 111 I HA -0.150 3.988 4.170 -0.052 0.000 0.248 111 I C 1.497 177.433 176.117 -0.302 0.000 1.111 111 I CA 1.589 62.757 61.300 -0.221 0.000 1.382 111 I CB -0.577 37.224 38.000 -0.331 0.000 1.060 111 I HN 0.492 8.702 8.210 0.000 0.000 0.418 112 H N -0.270 118.804 119.070 0.007 0.000 2.555 112 H HA 0.168 4.693 4.556 -0.052 0.000 0.283 112 H C 2.066 177.393 175.328 -0.002 0.000 1.037 112 H CA 0.064 56.113 56.048 0.000 0.000 1.169 112 H CB 0.259 30.020 29.762 -0.001 0.000 1.375 112 H HN 0.096 8.376 8.280 0.000 0.000 0.582 113 V N 1.416 121.358 119.914 0.047 0.000 2.490 113 V HA -0.149 3.940 4.120 -0.052 0.000 0.250 113 V C 1.491 177.592 176.094 0.011 0.000 1.061 113 V CA 1.363 63.678 62.300 0.025 0.000 1.064 113 V CB -0.288 31.543 31.823 0.012 0.000 0.670 113 V HN 0.347 8.537 8.190 0.000 0.000 0.461 114 I N -2.758 117.812 120.570 -0.001 0.000 3.100 114 I HA 0.436 4.574 4.170 -0.052 0.000 0.312 114 I C -0.028 176.101 176.117 0.020 0.000 1.063 114 I CA -0.868 60.427 61.300 -0.007 0.000 1.031 114 I CB 1.565 39.547 38.000 -0.030 0.000 1.243 114 I HN -0.075 8.135 8.210 0.000 0.000 0.483 115 N N 1.706 120.415 118.700 0.015 0.000 2.439 115 N HA 0.249 4.958 4.740 -0.052 0.000 0.243 115 N C 0.616 176.146 175.510 0.034 0.000 1.088 115 N CA -0.385 52.687 53.050 0.037 0.000 0.940 115 N CB 1.163 39.662 38.487 0.020 0.000 1.180 115 N HN 0.552 8.932 8.380 0.000 0.000 0.505 116 V N 3.039 122.989 119.914 0.059 0.000 2.358 116 V HA -0.190 3.899 4.120 -0.052 0.000 0.246 116 V C 1.489 177.610 176.094 0.044 0.000 1.047 116 V CA 1.435 63.756 62.300 0.035 0.000 1.035 116 V CB -0.370 31.479 31.823 0.043 0.000 0.658 116 V HN 0.702 8.892 8.190 0.000 0.000 0.452 117 D N 0.165 120.599 120.400 0.057 0.000 2.133 117 D HA -0.173 4.436 4.640 -0.052 0.000 0.195 117 D C 2.262 178.588 176.300 0.044 0.000 0.997 117 D CA 1.298 55.325 54.000 0.046 0.000 0.840 117 D CB -0.178 40.645 40.800 0.040 0.000 0.947 117 D HN 0.393 8.763 8.370 0.000 0.000 0.452 118 K N 0.306 120.731 120.400 0.041 0.000 2.103 118 K HA -0.033 4.256 4.320 -0.052 0.000 0.204 118 K C 2.219 178.861 176.600 0.070 0.000 1.052 118 K CA 0.312 56.627 56.287 0.047 0.000 0.945 118 K CB -0.068 32.449 32.500 0.028 0.000 0.722 118 K HN 0.039 8.289 8.250 0.000 0.000 0.443 119 V N 1.346 121.291 119.914 0.053 0.000 2.287 119 V HA -0.243 3.846 4.120 -0.052 0.000 0.248 119 V C 2.399 178.557 176.094 0.108 0.000 1.053 119 V CA 1.573 63.918 62.300 0.075 0.000 1.027 119 V CB -0.423 31.418 31.823 0.031 0.000 0.646 119 V HN 0.044 8.234 8.190 0.000 0.000 0.447 120 V N 0.312 120.265 119.914 0.066 0.000 2.287 120 V HA -0.287 3.802 4.120 -0.052 0.000 0.248 120 V C 2.690 178.823 176.094 0.065 0.000 1.053 120 V CA 2.171 64.503 62.300 0.054 0.000 1.027 120 V CB -1.183 30.663 31.823 0.037 0.000 0.646 120 V HN 0.576 8.766 8.190 0.000 0.000 0.447 121 A N -1.234 121.628 122.820 0.071 0.000 1.969 121 A HA -0.239 4.050 4.320 -0.052 0.000 0.218 121 A C 2.140 179.774 177.584 0.084 0.000 1.169 121 A CA 1.867 53.942 52.037 0.063 0.000 0.635 121 A CB -0.702 18.331 19.000 0.056 0.000 0.810 121 A HN 0.641 8.791 8.150 0.000 0.000 0.445 122 Y N 0.718 121.014 120.300 -0.005 0.000 2.114 122 Y HA -0.193 4.325 4.550 -0.052 0.000 0.284 122 Y C 2.354 178.252 175.900 -0.004 0.000 1.143 122 Y CA 2.027 60.117 58.100 -0.016 0.000 1.135 122 Y CB -0.454 37.992 38.460 -0.023 0.000 0.980 122 Y HN 0.065 8.345 8.280 0.000 0.000 0.499 123 V N 0.817 120.733 119.914 0.003 0.000 2.255 123 V HA -0.379 3.710 4.120 -0.052 0.000 0.247 123 V C 2.429 178.541 176.094 0.029 0.000 1.051 123 V CA 2.369 64.635 62.300 -0.058 0.000 1.018 123 V CB -0.950 30.865 31.823 -0.012 0.000 0.641 123 V HN 0.482 8.672 8.190 0.000 0.000 0.445 124 Q N 0.368 120.196 119.800 0.047 0.000 2.112 124 Q HA -0.263 4.045 4.340 -0.052 0.000 0.206 124 Q C 2.347 178.337 176.000 -0.018 0.000 0.987 124 Q CA 2.333 58.170 55.803 0.056 0.000 0.858 124 Q CB -0.216 28.541 28.738 0.031 0.000 0.905 124 Q HN 0.803 9.073 8.270 0.000 0.000 0.420 125 S N -0.752 114.900 115.700 -0.079 0.000 2.515 125 S HA -0.042 4.397 4.470 -0.052 0.000 0.231 125 S C 1.583 176.073 174.600 -0.184 0.000 0.987 125 S CA 0.512 58.635 58.200 -0.127 0.000 0.936 125 S CB -0.073 63.050 63.200 -0.127 0.000 0.766 125 S HN 0.423 8.733 8.310 0.000 0.000 0.528 126 L N 0.356 121.463 121.223 -0.193 0.000 2.585 126 L HA 0.303 4.612 4.340 -0.052 0.000 0.226 126 L C 1.283 178.017 176.870 -0.228 0.000 1.113 126 L CA -0.080 54.640 54.840 -0.199 0.000 0.876 126 L CB -0.111 41.812 42.059 -0.226 0.000 1.072 126 L HN 0.369 8.599 8.230 0.000 0.000 0.468 127 Q N 1.369 120.948 119.800 -0.368 0.000 2.332 127 Q HA 0.123 4.432 4.340 -0.052 0.000 0.263 127 Q C -0.437 175.278 176.000 -0.476 0.000 0.979 127 Q CA -0.015 55.298 55.803 -0.817 0.000 0.885 127 Q CB 0.878 29.115 28.738 -0.835 0.000 1.218 127 Q HN -0.030 8.240 8.270 0.000 0.000 0.405 128 K N 2.510 122.615 120.400 -0.492 0.000 2.210 128 K HA 0.162 4.451 4.320 -0.052 0.000 0.236 128 K C 0.586 177.028 176.600 -0.263 0.000 1.016 128 K CA -0.385 55.712 56.287 -0.318 0.000 0.913 128 K CB 0.612 32.931 32.500 -0.301 0.000 1.141 128 K HN 0.664 8.914 8.250 0.000 0.000 0.462 129 E N 0.873 120.968 120.200 -0.176 0.000 2.110 129 E HA -0.205 4.114 4.350 -0.052 0.000 0.193 129 E C 0.741 177.277 176.600 -0.106 0.000 0.988 129 E CA 1.583 57.910 56.400 -0.122 0.000 0.804 129 E CB 0.065 29.716 29.700 -0.083 0.000 0.745 129 E HN 0.541 8.901 8.360 0.000 0.000 0.458 130 D N -0.821 119.508 120.400 -0.118 0.000 2.363 130 D HA -0.019 4.589 4.640 -0.052 0.000 0.226 130 D C 1.272 177.525 176.300 -0.078 0.000 1.020 130 D CA 0.873 54.837 54.000 -0.060 0.000 0.892 130 D CB 0.193 40.990 40.800 -0.005 0.000 0.900 130 D HN 0.248 8.618 8.370 0.000 0.000 0.531 131 G N -0.088 108.592 108.800 -0.200 0.000 2.217 131 G HA2 -0.293 3.635 3.960 -0.052 0.000 0.246 131 G HA3 -0.293 3.635 3.960 -0.052 0.000 0.246 131 G C 0.492 175.153 174.900 -0.399 0.000 0.990 131 G CA 0.403 45.384 45.100 -0.199 0.000 0.627 131 G HN 0.848 9.138 8.290 0.000 0.000 0.522 132 S N -0.274 114.981 115.700 -0.742 0.000 2.596 132 S HA 0.698 5.137 4.470 -0.052 0.000 0.260 132 S C -0.195 173.990 174.600 -0.692 0.000 1.336 132 S CA -0.170 57.416 58.200 -1.023 0.000 0.993 132 S CB 1.021 63.171 63.200 -1.749 0.000 0.923 132 S HN 0.545 8.855 8.310 0.000 0.000 0.567 133 F N 0.244 120.044 119.950 -0.250 0.000 2.482 133 F HA 0.648 5.143 4.527 -0.053 0.000 0.331 133 F C 0.685 176.487 175.800 0.003 0.000 1.115 133 F CA -0.651 57.292 58.000 -0.095 0.000 0.955 133 F CB 1.636 40.636 39.000 -0.000 0.000 1.136 133 F HN 0.909 9.209 8.300 0.000 0.000 0.452 134 A N 1.688 124.544 122.820 0.060 0.000 2.351 134 A HA 0.503 4.791 4.320 -0.052 0.000 0.257 134 A C 1.350 178.834 177.584 -0.166 0.000 1.087 134 A CA 0.182 52.237 52.037 0.030 0.000 0.798 134 A CB 0.240 19.194 19.000 -0.077 0.000 1.033 134 A HN 1.017 9.167 8.150 0.000 0.000 0.488 135 G N 0.169 108.661 108.800 -0.514 0.000 2.421 135 G HA2 0.252 4.180 3.960 -0.052 0.000 0.217 135 G HA3 0.252 4.180 3.960 -0.052 0.000 0.217 135 G C 0.306 174.514 174.900 -1.153 0.000 1.143 135 G CA 1.364 45.554 45.100 -1.515 0.000 0.784 135 G HN 1.023 9.313 8.290 0.000 0.000 0.541 136 D N -1.879 118.191 120.400 -0.551 0.000 2.970 136 D HA 0.024 4.633 4.640 -0.052 0.000 0.344 136 D C 1.405 177.592 176.300 -0.188 0.000 1.365 136 D CA -0.320 53.508 54.000 -0.286 0.000 0.910 136 D CB -0.254 40.497 40.800 -0.081 0.000 1.445 136 D HN 0.191 8.561 8.370 0.000 0.000 0.532 137 I N -3.049 117.398 120.570 -0.206 0.000 2.850 137 I HA 0.085 4.223 4.170 -0.052 0.000 0.266 137 I C 0.697 176.537 176.117 -0.462 0.000 1.257 137 I CA 0.518 61.588 61.300 -0.384 0.000 1.465 137 I CB -0.503 37.169 38.000 -0.546 0.000 1.091 137 I HN 0.225 8.435 8.210 0.000 0.000 0.467 138 W N 1.835 123.121 121.300 -0.023 0.000 3.290 138 W HA 0.441 5.069 4.660 -0.053 0.000 0.287 138 W C 1.792 178.312 176.519 0.001 0.000 1.288 138 W CA 0.444 57.788 57.345 -0.001 0.000 1.725 138 W CB 0.275 29.748 29.460 0.022 0.000 1.103 138 W HN 0.348 8.528 8.180 0.000 0.000 0.670 139 G N 0.859 109.727 108.800 0.114 0.000 2.157 139 G HA2 -0.342 3.587 3.960 -0.052 0.000 0.248 139 G HA3 -0.342 3.587 3.960 -0.052 0.000 0.248 139 G C 0.121 175.089 174.900 0.113 0.000 0.979 139 G CA -0.054 45.086 45.100 0.066 0.000 0.650 139 G HN 0.343 8.633 8.290 0.000 0.000 0.529 140 E N 0.751 121.058 120.200 0.179 0.000 2.351 140 E HA 0.304 4.623 4.350 -0.052 0.000 0.266 140 E C 0.326 177.132 176.600 0.343 0.000 1.031 140 E CA -0.428 56.128 56.400 0.259 0.000 0.911 140 E CB 0.139 30.053 29.700 0.358 0.000 0.986 140 E HN 0.196 8.556 8.360 0.000 0.000 0.446 141 I N 4.797 125.508 120.570 0.235 0.000 2.336 141 I HA 0.317 4.455 4.170 -0.052 0.000 0.292 141 I C -0.028 176.163 176.117 0.123 0.000 0.991 141 I CA -0.106 61.308 61.300 0.190 0.000 1.227 141 I CB 1.148 39.188 38.000 0.065 0.000 1.366 141 I HN 0.606 8.816 8.210 0.000 0.000 0.466 142 D N 3.364 123.767 120.400 0.005 0.000 2.803 142 D HA 0.102 4.710 4.640 -0.052 0.000 0.218 142 D C 0.805 176.983 176.300 -0.203 0.000 1.245 142 D CA -0.205 53.630 54.000 -0.274 0.000 0.821 142 D CB 2.237 42.546 40.800 -0.818 0.000 1.626 142 D HN 0.613 8.983 8.370 0.000 0.000 0.487 143 T N 0.718 115.229 114.554 -0.072 0.000 2.929 143 T HA -0.106 4.212 4.350 -0.052 0.000 0.271 143 T C 1.674 176.317 174.700 -0.096 0.000 1.085 143 T CA 0.783 62.862 62.100 -0.035 0.000 1.125 143 T CB -0.005 68.803 68.868 -0.100 0.000 0.874 143 T HN 0.366 8.606 8.240 0.000 0.000 0.494 144 R N 0.321 120.675 120.500 -0.244 0.000 2.117 144 R HA -0.031 4.278 4.340 -0.052 0.000 0.243 144 R C 2.052 178.407 176.300 0.091 0.000 1.143 144 R CA 1.938 57.954 56.100 -0.139 0.000 0.968 144 R CB -0.553 29.575 30.300 -0.288 0.000 0.863 144 R HN 0.565 8.835 8.270 0.000 0.000 0.444 145 F N -0.535 119.491 119.950 0.127 0.000 2.416 145 F HA -0.002 4.495 4.527 -0.051 0.000 0.296 145 F C 2.483 178.275 175.800 -0.014 0.000 1.099 145 F CA -0.124 57.921 58.000 0.075 0.000 1.427 145 F CB -0.001 39.050 39.000 0.084 0.000 1.079 145 F HN -0.062 8.238 8.300 0.000 0.000 0.536 146 S N 0.899 116.721 115.700 0.204 0.000 2.359 146 S HA -0.218 4.221 4.470 -0.052 0.000 0.224 146 S C 1.775 176.468 174.600 0.156 0.000 1.035 146 S CA 1.431 59.712 58.200 0.135 0.000 1.018 146 S CB -0.590 62.649 63.200 0.064 0.000 0.876 146 S HN 0.414 8.724 8.310 0.000 0.000 0.448 147 F N 1.856 121.849 119.950 0.071 0.000 2.102 147 F HA -0.169 4.328 4.527 -0.050 0.000 0.298 147 F C 2.450 178.260 175.800 0.016 0.000 1.105 147 F CA 0.864 58.900 58.000 0.061 0.000 1.239 147 F CB -0.872 38.111 39.000 -0.028 0.000 0.991 147 F HN 0.200 8.500 8.300 0.000 0.000 0.474 148 C N 0.817 120.091 119.300 -0.043 0.000 2.398 148 C HA -0.190 4.238 4.460 -0.052 0.000 0.276 148 C C 3.176 178.009 174.990 -0.263 0.000 1.222 148 C CA 1.315 60.254 59.018 -0.131 0.000 1.746 148 C CB -1.905 25.898 27.740 0.106 0.000 2.039 148 C HN 0.671 8.901 8.230 0.000 0.000 0.470 149 A N 0.829 123.443 122.820 -0.343 0.000 1.858 149 A HA -0.118 4.170 4.320 -0.052 0.000 0.216 149 A C 2.322 179.681 177.584 -0.375 0.000 1.190 149 A CA 2.581 54.310 52.037 -0.513 0.000 0.617 149 A CB -0.955 17.263 19.000 -1.304 0.000 0.827 149 A HN 0.694 8.844 8.150 0.000 0.000 0.443 150 V N -2.681 117.031 119.914 -0.337 0.000 2.548 150 V HA 0.092 4.180 4.120 -0.052 0.000 0.249 150 V C 2.462 178.414 176.094 -0.236 0.000 1.055 150 V CA 1.626 63.777 62.300 -0.249 0.000 1.065 150 V CB -1.258 30.403 31.823 -0.271 0.000 0.681 150 V HN 0.512 8.702 8.190 0.000 0.000 0.462 151 A N 1.023 123.604 122.820 -0.397 0.000 1.898 151 A HA -0.108 4.181 4.320 -0.052 0.000 0.216 151 A C 2.349 179.911 177.584 -0.037 0.000 1.181 151 A CA 2.455 54.337 52.037 -0.259 0.000 0.620 151 A CB -1.311 17.215 19.000 -0.791 0.000 0.819 151 A HN 0.543 8.693 8.150 0.000 0.000 0.442 152 T N 0.793 115.265 114.554 -0.137 0.000 2.652 152 T HA -0.153 4.166 4.350 -0.052 0.000 0.267 152 T C 1.831 176.495 174.700 -0.060 0.000 1.039 152 T CA 1.679 63.730 62.100 -0.081 0.000 1.153 152 T CB -0.467 68.351 68.868 -0.083 0.000 0.863 152 T HN 0.361 8.601 8.240 0.000 0.000 0.428 153 L N 0.651 121.830 121.223 -0.074 0.000 2.056 153 L HA -0.067 4.242 4.340 -0.052 0.000 0.207 153 L C 3.086 179.937 176.870 -0.031 0.000 1.078 153 L CA 1.126 55.937 54.840 -0.048 0.000 0.749 153 L CB -0.742 41.287 42.059 -0.050 0.000 0.901 153 L HN 0.256 8.486 8.230 0.000 0.000 0.433 154 A N 0.323 123.136 122.820 -0.011 0.000 1.908 154 A HA -0.184 4.105 4.320 -0.052 0.000 0.218 154 A C 2.227 179.788 177.584 -0.039 0.000 1.181 154 A CA 1.488 53.538 52.037 0.022 0.000 0.627 154 A CB -0.757 18.337 19.000 0.156 0.000 0.818 154 A HN 0.377 8.527 8.150 0.000 0.000 0.445 155 L N -1.171 120.004 121.223 -0.079 0.000 2.265 155 L HA -0.114 4.194 4.340 -0.052 0.000 0.215 155 L C 1.715 178.520 176.870 -0.108 0.000 1.117 155 L CA 0.396 55.136 54.840 -0.166 0.000 0.782 155 L CB -0.267 41.685 42.059 -0.178 0.000 0.914 155 L HN 0.273 8.503 8.230 0.000 0.000 0.441 156 L N -0.680 120.500 121.223 -0.071 0.000 2.585 156 L HA 0.243 4.552 4.340 -0.052 0.000 0.226 156 L C 1.536 178.388 176.870 -0.030 0.000 1.113 156 L CA 0.781 55.588 54.840 -0.055 0.000 0.876 156 L CB -0.680 41.353 42.059 -0.043 0.000 1.072 156 L HN 0.312 8.542 8.230 0.000 0.000 0.468 157 G N 0.034 108.817 108.800 -0.029 0.000 2.176 157 G HA2 -0.284 3.645 3.960 -0.052 0.000 0.252 157 G HA3 -0.284 3.645 3.960 -0.052 0.000 0.252 157 G C 0.807 175.705 174.900 -0.003 0.000 1.024 157 G CA 0.269 45.361 45.100 -0.013 0.000 0.755 157 G HN 0.250 8.540 8.290 0.000 0.000 0.507 158 K N -0.228 120.168 120.400 -0.006 0.000 2.792 158 K HA 0.366 4.654 4.320 -0.052 0.000 0.207 158 K C 1.824 178.424 176.600 0.000 0.000 1.103 158 K CA -0.566 55.722 56.287 0.002 0.000 1.048 158 K CB 0.182 32.685 32.500 0.006 0.000 0.777 158 K HN 0.401 8.652 8.250 0.000 0.000 0.468 159 L N 1.763 122.982 121.223 -0.006 0.000 2.187 159 L HA -0.214 4.095 4.340 -0.052 0.000 0.213 159 L C 1.631 178.506 176.870 0.009 0.000 1.100 159 L CA 1.799 56.633 54.840 -0.010 0.000 0.765 159 L CB -0.026 42.019 42.059 -0.023 0.000 0.904 159 L HN 0.304 8.534 8.230 0.000 0.000 0.437 160 D N -0.460 119.947 120.400 0.012 0.000 2.371 160 D HA -0.130 4.478 4.640 -0.052 0.000 0.221 160 D C 1.693 178.009 176.300 0.027 0.000 0.986 160 D CA 0.914 54.925 54.000 0.019 0.000 0.899 160 D CB 0.077 40.886 40.800 0.015 0.000 0.902 160 D HN 0.256 8.626 8.370 0.000 0.000 0.530 161 A N 0.271 123.109 122.820 0.029 0.000 2.168 161 A HA 0.221 4.510 4.320 -0.052 0.000 0.215 161 A C 1.214 178.831 177.584 0.055 0.000 1.152 161 A CA 0.482 52.541 52.037 0.036 0.000 0.716 161 A CB -0.590 18.430 19.000 0.033 0.000 0.794 161 A HN 0.478 8.628 8.150 0.000 0.000 0.465 162 I N -4.801 115.815 120.570 0.078 0.000 3.023 162 I HA 0.439 4.578 4.170 -0.052 0.000 0.312 162 I C -0.198 175.976 176.117 0.095 0.000 1.056 162 I CA -1.452 59.922 61.300 0.122 0.000 1.033 162 I CB 0.822 38.987 38.000 0.274 0.000 1.233 162 I HN -0.100 8.110 8.210 0.000 0.000 0.462 163 N N 2.084 120.833 118.700 0.081 0.000 2.448 163 N HA 0.153 4.862 4.740 -0.052 0.000 0.250 163 N C 0.633 176.208 175.510 0.108 0.000 1.136 163 N CA 0.051 53.137 53.050 0.059 0.000 0.953 163 N CB 0.940 39.434 38.487 0.012 0.000 1.251 163 N HN 0.635 9.015 8.380 0.000 0.000 0.502 164 V N 3.538 123.514 119.914 0.104 0.000 2.323 164 V HA -0.148 3.941 4.120 -0.052 0.000 0.244 164 V C 2.094 178.277 176.094 0.149 0.000 1.041 164 V CA 1.383 63.760 62.300 0.127 0.000 1.025 164 V CB -0.299 31.564 31.823 0.068 0.000 0.656 164 V HN 0.612 8.802 8.190 0.000 0.000 0.451 165 E N 0.139 120.402 120.200 0.106 0.000 2.077 165 E HA -0.211 4.107 4.350 -0.052 0.000 0.193 165 E C 2.288 178.960 176.600 0.120 0.000 0.989 165 E CA 0.947 57.411 56.400 0.107 0.000 0.800 165 E CB -0.196 29.548 29.700 0.074 0.000 0.746 165 E HN 0.449 8.809 8.360 0.000 0.000 0.452 166 K N 0.559 121.018 120.400 0.099 0.000 2.097 166 K HA -0.053 4.236 4.320 -0.052 0.000 0.205 166 K C 2.108 178.791 176.600 0.138 0.000 1.050 166 K CA 0.916 57.255 56.287 0.086 0.000 0.938 166 K CB -0.292 32.224 32.500 0.027 0.000 0.718 166 K HN 0.059 8.309 8.250 0.000 0.000 0.442 167 A N 1.489 124.430 122.820 0.201 0.000 1.877 167 A HA -0.142 4.147 4.320 -0.052 0.000 0.216 167 A C 2.279 180.073 177.584 0.350 0.000 1.186 167 A CA 1.271 53.507 52.037 0.331 0.000 0.620 167 A CB -0.580 18.753 19.000 0.556 0.000 0.822 167 A HN 0.190 8.340 8.150 0.000 0.000 0.443 168 I N -0.572 120.248 120.570 0.417 0.000 2.127 168 I HA -0.304 3.835 4.170 -0.052 0.000 0.241 168 I C 2.594 178.808 176.117 0.162 0.000 1.075 168 I CA 1.967 63.486 61.300 0.364 0.000 1.334 168 I CB -0.377 37.795 38.000 0.287 0.000 1.040 168 I HN 0.556 8.766 8.210 0.000 0.000 0.405 169 E N 0.806 121.091 120.200 0.142 0.000 2.085 169 E HA -0.300 4.018 4.350 -0.052 0.000 0.194 169 E C 2.213 178.859 176.600 0.077 0.000 0.994 169 E CA 1.590 58.046 56.400 0.093 0.000 0.801 169 E CB -0.186 29.569 29.700 0.091 0.000 0.743 169 E HN 0.409 8.769 8.360 0.000 0.000 0.453 170 F N 0.714 120.649 119.950 -0.024 0.000 2.102 170 F HA -0.201 4.296 4.527 -0.050 0.000 0.298 170 F C 2.075 177.822 175.800 -0.090 0.000 1.105 170 F CA 1.375 59.341 58.000 -0.057 0.000 1.239 170 F CB -0.448 38.509 39.000 -0.071 0.000 0.991 170 F HN -0.102 8.198 8.300 0.000 0.000 0.474 171 V N 0.775 120.561 119.914 -0.213 0.000 2.343 171 V HA -0.303 3.786 4.120 -0.052 0.000 0.247 171 V C 2.486 178.490 176.094 -0.150 0.000 1.051 171 V CA 1.953 64.035 62.300 -0.364 0.000 1.036 171 V CB -0.682 30.736 31.823 -0.674 0.000 0.654 171 V HN 0.376 8.566 8.190 0.000 0.000 0.451 172 L N 0.777 121.969 121.223 -0.051 0.000 2.141 172 L HA -0.126 4.183 4.340 -0.052 0.000 0.209 172 L C 2.607 179.439 176.870 -0.064 0.000 1.094 172 L CA 1.688 56.549 54.840 0.035 0.000 0.763 172 L CB -0.753 41.327 42.059 0.034 0.000 0.908 172 L HN 0.561 8.791 8.230 0.000 0.000 0.437 173 S N -1.476 114.132 115.700 -0.154 0.000 2.507 173 S HA -0.138 4.301 4.470 -0.052 0.000 0.235 173 S C 1.623 176.073 174.600 -0.250 0.000 0.988 173 S CA 0.662 58.746 58.200 -0.193 0.000 0.944 173 S CB -0.746 62.334 63.200 -0.200 0.000 0.762 173 S HN 0.461 8.771 8.310 0.000 0.000 0.526 174 C N 1.360 120.496 119.300 -0.273 0.000 2.697 174 C HA 0.472 4.901 4.460 -0.052 0.000 0.267 174 C C 0.900 175.788 174.990 -0.169 0.000 1.278 174 C CA -0.751 58.145 59.018 -0.204 0.000 1.708 174 C CB -1.831 25.782 27.740 -0.213 0.000 1.860 174 C HN 0.683 8.913 8.230 0.000 0.000 0.589 175 M N 2.274 121.706 119.600 -0.281 0.000 2.235 175 M HA 0.240 4.688 4.480 -0.052 0.000 0.351 175 M C -0.491 175.550 176.300 -0.432 0.000 1.178 175 M CA 0.840 55.739 55.300 -0.668 0.000 1.143 175 M CB 0.336 32.577 32.600 -0.598 0.000 1.530 175 M HN 0.275 8.565 8.290 0.000 0.000 0.461 176 N N 2.628 121.027 118.700 -0.501 0.000 2.531 176 N HA 0.297 5.006 4.740 -0.052 0.000 0.290 176 N C 0.231 175.579 175.510 -0.269 0.000 1.257 176 N CA -0.473 52.396 53.050 -0.302 0.000 0.863 176 N CB 0.713 38.999 38.487 -0.335 0.000 1.320 176 N HN 0.742 9.122 8.380 0.000 0.000 0.538 177 F N 0.489 120.331 119.950 -0.180 0.000 2.250 177 F HA -0.100 4.390 4.527 -0.061 0.000 0.301 177 F C 1.057 176.798 175.800 -0.098 0.000 1.077 177 F CA 1.114 59.045 58.000 -0.114 0.000 1.348 177 F CB -0.329 38.630 39.000 -0.068 0.000 1.040 177 F HN 0.351 8.651 8.300 0.000 0.000 0.509 178 D N -0.988 118.693 120.400 -1.198 0.000 2.328 178 D HA 0.250 4.859 4.640 -0.052 0.000 0.221 178 D C 1.850 177.822 176.300 -0.547 0.000 1.072 178 D CA 0.440 53.869 54.000 -0.952 0.000 0.850 178 D CB 0.053 40.088 40.800 -1.275 0.000 0.922 178 D HN 0.497 8.867 8.370 0.000 0.000 0.516 179 G N -0.899 107.609 108.800 -0.487 0.000 2.217 179 G HA2 -0.189 3.740 3.960 -0.052 0.000 0.246 179 G HA3 -0.189 3.740 3.960 -0.052 0.000 0.246 179 G C 0.709 175.264 174.900 -0.575 0.000 0.990 179 G CA 0.065 44.926 45.100 -0.397 0.000 0.627 179 G HN 0.805 9.095 8.290 0.000 0.000 0.522 180 G N -0.788 107.554 108.800 -0.763 0.000 2.525 180 G HA2 0.676 4.605 3.960 -0.052 0.000 0.287 180 G HA3 0.676 4.605 3.960 -0.052 0.000 0.287 180 G C -0.599 173.780 174.900 -0.869 0.000 1.350 180 G CA -0.732 43.912 45.100 -0.760 0.000 1.039 180 G HN 0.446 8.736 8.290 0.000 0.000 0.513 181 F N -1.745 117.986 119.950 -0.366 0.000 2.588 181 F HA 0.654 5.151 4.527 -0.050 0.000 0.310 181 F C 0.685 176.349 175.800 -0.227 0.000 1.082 181 F CA -0.380 57.461 58.000 -0.266 0.000 0.929 181 F CB 2.334 41.198 39.000 -0.226 0.000 1.254 181 F HN 0.745 9.045 8.300 0.000 0.000 0.455 182 G N -0.276 108.519 108.800 -0.009 0.000 3.108 182 G HA2 0.382 4.310 3.960 -0.052 0.000 0.268 182 G HA3 0.382 4.310 3.960 -0.052 0.000 0.268 182 G C 0.334 175.203 174.900 -0.053 0.000 1.361 182 G CA -0.588 44.490 45.100 -0.036 0.000 1.047 182 G HN 0.820 9.110 8.290 0.000 0.000 0.540 183 C N -0.745 118.514 119.300 -0.068 0.000 2.413 183 C HA 0.159 4.588 4.460 -0.052 0.000 0.276 183 C C 1.427 176.401 174.990 -0.027 0.000 1.236 183 C CA 0.676 59.647 59.018 -0.077 0.000 1.735 183 C CB -0.941 26.757 27.740 -0.071 0.000 2.031 183 C HN 0.533 8.763 8.230 0.000 0.000 0.474 184 R N -1.351 119.136 120.500 -0.022 0.000 2.795 184 R HA 0.341 4.650 4.340 -0.052 0.000 0.268 184 R C -3.088 173.162 176.300 -0.083 0.000 1.041 184 R CA -1.686 54.423 56.100 0.014 0.000 0.927 184 R CB 0.446 30.805 30.300 0.098 0.000 1.235 184 R HN -0.144 8.126 8.270 0.000 0.000 0.463 185 P HA -0.005 4.415 4.420 0.000 0.000 0.261 185 P C 0.443 177.707 177.300 -0.059 0.000 1.183 185 P CA 1.310 64.335 63.100 -0.126 0.000 0.761 185 P CB 0.437 32.079 31.700 -0.096 0.000 0.785 186 G N 1.887 110.648 108.800 -0.065 0.000 2.217 186 G HA2 -0.235 3.694 3.960 -0.052 0.000 0.246 186 G HA3 -0.235 3.694 3.960 -0.052 0.000 0.246 186 G C 0.396 175.280 174.900 -0.027 0.000 0.990 186 G CA -0.063 45.016 45.100 -0.036 0.000 0.627 186 G HN 0.568 8.858 8.290 0.000 0.000 0.522 187 S N 0.776 116.453 115.700 -0.037 0.000 2.580 187 S HA 0.439 4.877 4.470 -0.052 0.000 0.274 187 S C 0.397 174.980 174.600 -0.028 0.000 1.329 187 S CA -0.162 58.023 58.200 -0.025 0.000 1.036 187 S CB 1.726 64.907 63.200 -0.032 0.000 0.919 187 S HN 0.558 8.868 8.310 0.000 0.000 0.515 188 E N 1.668 121.869 120.200 0.000 0.000 2.398 188 E HA 0.072 4.390 4.350 -0.052 0.000 0.263 188 E C -0.522 176.057 176.600 -0.035 0.000 1.046 188 E CA -0.269 56.139 56.400 0.012 0.000 0.908 188 E CB 0.514 30.250 29.700 0.061 0.000 0.963 188 E HN 0.519 8.879 8.360 0.000 0.000 0.431 189 S N 2.857 118.474 115.700 -0.139 0.000 2.549 189 S HA 0.028 4.467 4.470 -0.052 0.000 0.286 189 S C -0.278 174.264 174.600 -0.096 0.000 1.314 189 S CA -0.067 57.949 58.200 -0.305 0.000 1.062 189 S CB 0.325 63.032 63.200 -0.821 0.000 0.865 189 S HN 0.454 8.764 8.310 0.000 0.000 0.498 190 H N 0.507 119.481 119.070 -0.160 0.000 3.029 190 H HA 0.404 4.930 4.556 -0.050 0.000 0.358 190 H C 0.441 175.785 175.328 0.027 0.000 1.129 190 H CA -0.187 55.869 56.048 0.014 0.000 1.230 190 H CB 1.369 31.127 29.762 -0.008 0.000 1.827 190 H HN 0.589 8.869 8.280 0.000 0.000 0.530 191 A N 3.444 126.215 122.820 -0.082 0.000 1.948 191 A HA -0.132 4.156 4.320 -0.052 0.000 0.220 191 A C 2.220 179.928 177.584 0.208 0.000 1.177 191 A CA 1.995 54.109 52.037 0.129 0.000 0.636 191 A CB -0.944 18.103 19.000 0.079 0.000 0.815 191 A HN 0.800 8.950 8.150 0.000 0.000 0.449 192 G N -1.231 107.741 108.800 0.286 0.000 2.402 192 G HA2 -0.182 3.747 3.960 -0.052 0.000 0.216 192 G HA3 -0.182 3.747 3.960 -0.052 0.000 0.216 192 G C 1.532 176.372 174.900 -0.100 0.000 1.162 192 G CA 0.934 45.917 45.100 -0.196 0.000 0.777 192 G HN 0.495 8.785 8.290 0.000 0.000 0.539 193 Q N 0.221 120.022 119.800 0.003 0.000 2.119 193 Q HA 0.044 4.353 4.340 -0.052 0.000 0.201 193 Q C 2.679 178.638 176.000 -0.068 0.000 0.972 193 Q CA 0.642 56.406 55.803 -0.066 0.000 0.847 193 Q CB -0.304 28.413 28.738 -0.036 0.000 0.903 193 Q HN 0.569 8.839 8.270 0.000 0.000 0.433 194 I N 0.185 120.767 120.570 0.019 0.000 2.226 194 I HA -0.308 3.830 4.170 -0.052 0.000 0.245 194 I C 2.376 178.454 176.117 -0.065 0.000 1.100 194 I CA 1.340 62.654 61.300 0.024 0.000 1.374 194 I CB -0.429 37.612 38.000 0.070 0.000 1.057 194 I HN 0.111 8.321 8.210 0.000 0.000 0.413 195 Y N 1.098 121.340 120.300 -0.097 0.000 2.128 195 Y HA -0.351 4.167 4.550 -0.054 0.000 0.284 195 Y C 2.655 178.362 175.900 -0.322 0.000 1.154 195 Y CA 1.510 59.522 58.100 -0.147 0.000 1.149 195 Y CB -0.777 37.709 38.460 0.044 0.000 0.976 195 Y HN 0.190 8.470 8.280 0.000 0.000 0.505 196 C N -0.519 118.435 119.300 -0.577 0.000 2.429 196 C HA -0.216 4.212 4.460 -0.052 0.000 0.277 196 C C 3.020 177.720 174.990 -0.484 0.000 1.262 196 C CA 1.262 59.847 59.018 -0.721 0.000 1.733 196 C CB -1.674 25.890 27.740 -0.292 0.000 2.010 196 C HN 0.806 9.036 8.230 0.000 0.000 0.483 197 C N 0.719 119.734 119.300 -0.475 0.000 2.486 197 C HA -0.060 4.369 4.460 -0.052 0.000 0.279 197 C C 2.966 177.651 174.990 -0.509 0.000 1.302 197 C CA 1.726 60.372 59.018 -0.619 0.000 1.720 197 C CB -1.587 25.370 27.740 -1.306 0.000 2.030 197 C HN 0.814 9.044 8.230 0.000 0.000 0.490 198 T N -0.489 113.789 114.554 -0.460 0.000 2.821 198 T HA -0.031 4.287 4.350 -0.052 0.000 0.267 198 T C 1.973 176.539 174.700 -0.222 0.000 1.046 198 T CA 1.771 63.711 62.100 -0.266 0.000 1.139 198 T CB -0.798 67.974 68.868 -0.160 0.000 0.871 198 T HN 0.503 8.743 8.240 0.000 0.000 0.454 199 G N 0.617 109.191 108.800 -0.376 0.000 2.418 199 G HA2 -0.134 3.794 3.960 -0.052 0.000 0.217 199 G HA3 -0.134 3.794 3.960 -0.052 0.000 0.217 199 G C 1.251 176.149 174.900 -0.004 0.000 1.158 199 G CA 0.703 45.621 45.100 -0.304 0.000 0.771 199 G HN 0.493 8.783 8.290 0.000 0.000 0.545 200 F N 1.338 121.256 119.950 -0.054 0.000 2.095 200 F HA -0.060 4.436 4.527 -0.053 0.000 0.298 200 F C 2.409 178.166 175.800 -0.072 0.000 1.104 200 F CA 1.472 59.466 58.000 -0.011 0.000 1.232 200 F CB -0.240 38.733 39.000 -0.045 0.000 0.987 200 F HN 0.059 8.359 8.300 0.000 0.000 0.475 201 L N -0.204 121.081 121.223 0.103 0.000 2.141 201 L HA -0.129 4.180 4.340 -0.052 0.000 0.209 201 L C 2.778 179.602 176.870 -0.076 0.000 1.094 201 L CA 0.870 55.718 54.840 0.014 0.000 0.763 201 L CB -1.201 40.877 42.059 0.030 0.000 0.908 201 L HN 0.280 8.510 8.230 0.000 0.000 0.437 202 A N 0.696 123.468 122.820 -0.079 0.000 1.858 202 A HA -0.190 4.098 4.320 -0.052 0.000 0.216 202 A C 2.221 179.758 177.584 -0.078 0.000 1.190 202 A CA 1.580 53.581 52.037 -0.060 0.000 0.617 202 A CB -0.671 18.296 19.000 -0.055 0.000 0.827 202 A HN 0.315 8.465 8.150 0.000 0.000 0.443 203 I N 0.319 120.804 120.570 -0.141 0.000 2.208 203 I HA -0.221 3.917 4.170 -0.052 0.000 0.245 203 I C 2.335 178.349 176.117 -0.173 0.000 1.097 203 I CA 1.836 63.050 61.300 -0.144 0.000 1.363 203 I CB -0.327 37.545 38.000 -0.214 0.000 1.051 203 I HN 0.530 8.740 8.210 0.000 0.000 0.413 204 T N -3.069 111.312 114.554 -0.289 0.000 3.144 204 T HA 0.160 4.479 4.350 -0.052 0.000 0.249 204 T C 0.769 175.415 174.700 -0.089 0.000 1.089 204 T CA 0.270 62.224 62.100 -0.243 0.000 0.989 204 T CB 0.026 68.638 68.868 -0.427 0.000 0.992 204 T HN 0.229 8.469 8.240 0.000 0.000 0.540 205 S N 1.566 117.239 115.700 -0.045 0.000 3.682 205 S HA -0.132 4.307 4.470 -0.052 0.000 0.354 205 S C 0.523 175.185 174.600 0.104 0.000 1.034 205 S CA 0.493 58.713 58.200 0.033 0.000 1.084 205 S CB -1.413 61.813 63.200 0.042 0.000 0.903 205 S HN 0.684 8.994 8.310 0.000 0.000 0.470 206 Q N -0.689 119.131 119.800 0.035 0.000 2.141 206 Q HA 0.370 4.678 4.340 -0.052 0.000 0.248 206 Q C 1.400 177.302 176.000 -0.164 0.000 0.834 206 Q CA -0.193 55.571 55.803 -0.065 0.000 1.096 206 Q CB 0.056 28.768 28.738 -0.044 0.000 1.189 206 Q HN 0.593 8.863 8.270 0.000 0.000 0.471 207 L N 0.103 121.318 121.223 -0.013 0.000 2.275 207 L HA -0.189 4.120 4.340 -0.052 0.000 0.215 207 L C 2.077 178.941 176.870 -0.010 0.000 1.119 207 L CA 1.361 56.196 54.840 -0.009 0.000 0.790 207 L CB -0.490 41.586 42.059 0.028 0.000 0.919 207 L HN 0.438 8.668 8.230 0.000 0.000 0.443 208 H N -1.617 117.472 119.070 0.031 0.000 2.518 208 H HA -0.124 4.401 4.556 -0.052 0.000 0.289 208 H C 1.792 177.144 175.328 0.040 0.000 1.051 208 H CA 0.699 56.765 56.048 0.030 0.000 1.280 208 H CB -0.320 29.457 29.762 0.025 0.000 1.380 208 H HN 0.391 8.671 8.280 0.000 0.000 0.566 209 Q N 1.016 120.584 119.800 -0.388 0.000 2.451 209 Q HA 0.106 4.415 4.340 -0.052 0.000 0.206 209 Q C 0.123 176.100 176.000 -0.038 0.000 0.947 209 Q CA 0.198 55.888 55.803 -0.188 0.000 0.937 209 Q CB 0.693 29.297 28.738 -0.222 0.000 1.025 209 Q HN 0.352 8.622 8.270 0.000 0.000 0.511 210 V N 2.749 122.661 119.914 -0.003 0.000 2.649 210 V HA 0.046 4.134 4.120 -0.052 0.000 0.292 210 V C 0.458 176.569 176.094 0.027 0.000 1.055 210 V CA -0.653 61.676 62.300 0.048 0.000 1.023 210 V CB 1.177 33.048 31.823 0.079 0.000 0.992 210 V HN 0.168 8.358 8.190 0.000 0.000 0.480 211 N N 2.939 121.647 118.700 0.012 0.000 2.555 211 N HA 0.096 4.804 4.740 -0.052 0.000 0.244 211 N C 1.039 176.581 175.510 0.053 0.000 1.114 211 N CA 0.290 53.356 53.050 0.026 0.000 0.963 211 N CB 0.972 39.464 38.487 0.008 0.000 1.276 211 N HN 0.646 9.026 8.380 0.000 0.000 0.510 212 S N 2.056 117.788 115.700 0.053 0.000 2.402 212 S HA -0.086 4.353 4.470 -0.052 0.000 0.229 212 S C 0.963 175.623 174.600 0.100 0.000 1.021 212 S CA 0.706 58.928 58.200 0.037 0.000 0.974 212 S CB 0.133 63.321 63.200 -0.020 0.000 0.800 212 S HN 0.579 8.889 8.310 0.000 0.000 0.484 213 D N 1.072 121.581 120.400 0.182 0.000 2.117 213 D HA -0.016 4.593 4.640 -0.052 0.000 0.198 213 D C 1.862 178.415 176.300 0.421 0.000 0.982 213 D CA 0.547 54.787 54.000 0.399 0.000 0.828 213 D CB -0.312 40.668 40.800 0.300 0.000 0.967 213 D HN 0.223 8.593 8.370 0.000 0.000 0.464 214 L N 0.445 121.823 121.223 0.259 0.000 2.044 214 L HA -0.033 4.276 4.340 -0.052 0.000 0.205 214 L C 2.051 179.105 176.870 0.306 0.000 1.075 214 L CA 1.183 56.184 54.840 0.268 0.000 0.747 214 L CB -0.674 41.464 42.059 0.132 0.000 0.903 214 L HN -0.012 8.218 8.230 0.000 0.000 0.435 215 L N -0.158 121.173 121.223 0.181 0.000 2.056 215 L HA 0.047 4.356 4.340 -0.052 0.000 0.207 215 L C 2.308 179.337 176.870 0.264 0.000 1.078 215 L CA 2.028 56.952 54.840 0.141 0.000 0.749 215 L CB -1.483 40.605 42.059 0.049 0.000 0.901 215 L HN 0.298 8.528 8.230 0.000 0.000 0.433 216 G N -1.115 107.871 108.800 0.310 0.000 2.440 216 G HA2 -0.378 3.550 3.960 -0.052 0.000 0.218 216 G HA3 -0.378 3.550 3.960 -0.052 0.000 0.218 216 G C 1.347 176.632 174.900 0.641 0.000 1.154 216 G CA 0.862 46.205 45.100 0.405 0.000 0.767 216 G HN 0.623 8.913 8.290 0.000 0.000 0.552 217 W N 0.262 121.815 121.300 0.422 0.000 2.379 217 W HA -0.002 4.630 4.660 -0.046 0.000 0.307 217 W C 2.301 178.894 176.519 0.122 0.000 1.200 217 W CA 1.050 58.488 57.345 0.154 0.000 1.297 217 W CB -0.797 28.685 29.460 0.036 0.000 1.140 217 W HN 0.224 8.404 8.180 0.000 0.000 0.507 218 W N 0.832 121.979 121.300 -0.255 0.000 2.338 218 W HA -0.242 4.385 4.660 -0.055 0.000 0.304 218 W C 2.226 178.546 176.519 -0.332 0.000 1.212 218 W CA 2.864 59.922 57.345 -0.478 0.000 1.264 218 W CB -0.550 28.725 29.460 -0.309 0.000 1.142 218 W HN -0.141 8.039 8.180 0.000 0.000 0.512 219 L N 0.025 121.352 121.223 0.172 0.000 2.027 219 L HA -0.244 4.065 4.340 -0.052 0.000 0.206 219 L C 2.784 179.591 176.870 -0.105 0.000 1.074 219 L CA 1.526 56.406 54.840 0.067 0.000 0.745 219 L CB -1.446 40.708 42.059 0.159 0.000 0.898 219 L HN 0.271 8.501 8.230 0.000 0.000 0.433 220 C N -1.079 118.204 119.300 -0.028 0.000 2.432 220 C HA -0.030 4.399 4.460 -0.052 0.000 0.280 220 C C 2.201 177.072 174.990 -0.199 0.000 1.353 220 C CA -0.079 58.913 59.018 -0.043 0.000 1.766 220 C CB -0.758 27.050 27.740 0.114 0.000 1.924 220 C HN 0.437 8.667 8.230 0.000 0.000 0.509 221 E N 0.941 120.909 120.200 -0.387 0.000 2.516 221 E HA -0.032 4.287 4.350 -0.052 0.000 0.199 221 E C 1.945 178.244 176.600 -0.501 0.000 1.069 221 E CA 0.261 56.371 56.400 -0.483 0.000 0.876 221 E CB -0.370 28.875 29.700 -0.757 0.000 0.843 221 E HN 0.672 9.032 8.360 0.000 0.000 0.530 222 R N 0.535 120.736 120.500 -0.497 0.000 2.235 222 R HA -0.016 4.293 4.340 -0.052 0.000 0.213 222 R C 1.103 177.210 176.300 -0.322 0.000 1.059 222 R CA 0.217 56.038 56.100 -0.465 0.000 0.997 222 R CB -0.423 29.613 30.300 -0.441 0.000 0.884 222 R HN 0.289 8.559 8.270 0.000 0.000 0.462 223 Q N 1.175 120.824 119.800 -0.251 0.000 2.295 223 Q HA 0.228 4.537 4.340 -0.052 0.000 0.259 223 Q C -0.661 175.226 176.000 -0.189 0.000 0.976 223 Q CA -0.103 55.579 55.803 -0.202 0.000 0.923 223 Q CB 0.569 29.224 28.738 -0.138 0.000 1.185 223 Q HN 0.091 8.361 8.270 0.000 0.000 0.410 224 L N 5.569 126.673 121.223 -0.198 0.000 2.416 224 L HA 0.312 4.621 4.340 -0.052 0.000 0.262 224 L C -1.572 175.233 176.870 -0.107 0.000 1.093 224 L CA -2.198 52.549 54.840 -0.154 0.000 0.801 224 L CB 0.560 42.524 42.059 -0.159 0.000 1.191 224 L HN 0.590 8.820 8.230 0.000 0.000 0.459 225 P HA -0.206 4.214 4.420 0.000 0.000 0.217 225 P C 1.525 178.818 177.300 -0.011 0.000 1.151 225 P CA 1.504 64.582 63.100 -0.036 0.000 0.849 225 P CB 0.091 31.776 31.700 -0.024 0.000 0.787 226 S N -2.021 113.679 115.700 -0.001 0.000 2.465 226 S HA -0.022 4.416 4.470 -0.052 0.000 0.241 226 S C 1.866 176.515 174.600 0.082 0.000 1.000 226 S CA 1.293 59.536 58.200 0.072 0.000 0.964 226 S CB -1.384 61.903 63.200 0.144 0.000 0.763 226 S HN 0.336 8.646 8.310 0.000 0.000 0.512 227 G N 0.263 109.039 108.800 -0.039 0.000 2.232 227 G HA2 -0.094 3.834 3.960 -0.052 0.000 0.226 227 G HA3 -0.094 3.834 3.960 -0.052 0.000 0.226 227 G C 0.422 175.172 174.900 -0.251 0.000 0.996 227 G CA -0.068 45.003 45.100 -0.048 0.000 0.626 227 G HN 1.134 9.424 8.290 0.000 0.000 0.509 228 G N -0.081 108.281 108.800 -0.729 0.000 2.539 228 G HA2 0.605 4.534 3.960 -0.052 0.000 0.258 228 G HA3 0.605 4.534 3.960 -0.052 0.000 0.258 228 G C 0.037 174.556 174.900 -0.634 0.000 1.202 228 G CA -0.411 43.822 45.100 -1.445 0.000 0.851 228 G HN 0.757 9.047 8.290 0.000 0.000 0.556 229 L N 1.115 122.081 121.223 -0.428 0.000 2.334 229 L HA 0.395 4.703 4.340 -0.052 0.000 0.276 229 L C -0.134 176.642 176.870 -0.157 0.000 1.014 229 L CA -1.259 53.445 54.840 -0.226 0.000 0.815 229 L CB 1.815 43.810 42.059 -0.106 0.000 1.268 229 L HN 0.702 8.932 8.230 0.000 0.000 0.428 230 N N 0.786 119.306 118.700 -0.300 0.000 2.530 230 N HA 0.348 5.057 4.740 -0.052 0.000 0.283 230 N C 0.589 175.510 175.510 -0.981 0.000 1.238 230 N CA -0.534 52.245 53.050 -0.451 0.000 0.971 230 N CB 1.021 39.315 38.487 -0.321 0.000 1.195 230 N HN 0.568 8.948 8.380 0.000 0.000 0.583 231 G N -1.963 106.021 108.800 -1.360 0.000 2.887 231 G HA2 0.184 4.112 3.960 -0.052 0.000 0.211 231 G HA3 0.184 4.112 3.960 -0.052 0.000 0.211 231 G C 0.058 174.552 174.900 -0.677 0.000 1.152 231 G CA -0.114 44.147 45.100 -1.399 0.000 0.769 231 G HN 0.866 9.156 8.290 0.000 0.000 0.541 232 R N -2.010 118.188 120.500 -0.503 0.000 2.774 232 R HA 0.350 4.658 4.340 -0.052 0.000 0.279 232 R C -3.517 172.588 176.300 -0.325 0.000 1.022 232 R CA -1.662 54.248 56.100 -0.317 0.000 0.855 232 R CB -0.097 30.198 30.300 -0.009 0.000 1.279 232 R HN -0.245 8.025 8.270 0.000 0.000 0.485 233 P HA -0.033 4.387 4.420 0.000 0.000 0.264 233 P C -0.622 176.589 177.300 -0.149 0.000 1.183 233 P CA 0.739 63.690 63.100 -0.249 0.000 0.763 233 P CB 0.266 31.872 31.700 -0.157 0.000 0.807 234 E N -0.711 119.399 120.200 -0.149 0.000 2.957 234 E HA -0.184 4.135 4.350 -0.052 0.000 0.287 234 E C -0.136 176.423 176.600 -0.070 0.000 0.976 234 E CA 1.047 57.392 56.400 -0.092 0.000 0.907 234 E CB -1.338 28.329 29.700 -0.055 0.000 1.456 234 E HN 0.493 8.853 8.360 0.000 0.000 0.421 235 K N 0.037 120.379 120.400 -0.096 0.000 2.306 235 K HA 0.569 4.858 4.320 -0.052 0.000 0.236 235 K C 0.868 177.437 176.600 -0.051 0.000 1.013 235 K CA -0.965 55.289 56.287 -0.055 0.000 0.857 235 K CB 1.261 33.729 32.500 -0.053 0.000 1.214 235 K HN -0.049 8.201 8.250 0.000 0.000 0.449 236 L N 3.310 124.538 121.223 0.008 0.000 2.452 236 L HA 0.182 4.490 4.340 -0.052 0.000 0.267 236 L C -1.725 175.176 176.870 0.053 0.000 1.188 236 L CA -1.558 53.303 54.840 0.034 0.000 0.821 236 L CB 0.356 42.462 42.059 0.077 0.000 1.102 236 L HN 0.333 8.563 8.230 0.000 0.000 0.470 237 P HA 0.095 4.515 4.420 0.000 0.000 0.272 237 P C -1.363 176.079 177.300 0.237 0.000 1.230 237 P CA -0.113 62.999 63.100 0.019 0.000 0.788 237 P CB 1.099 32.656 31.700 -0.239 0.000 0.949 238 D N 0.329 120.931 120.400 0.337 0.000 2.886 238 D HA 0.021 4.630 4.640 -0.052 0.000 0.216 238 D C 0.573 177.086 176.300 0.355 0.000 1.256 238 D CA -0.703 53.517 54.000 0.367 0.000 0.844 238 D CB 1.935 42.943 40.800 0.346 0.000 1.669 238 D HN -0.039 8.331 8.370 0.000 0.000 0.513 239 V N 2.748 122.882 119.914 0.366 0.000 2.469 239 V HA -0.251 3.838 4.120 -0.052 0.000 0.251 239 V C 2.462 178.645 176.094 0.148 0.000 1.064 239 V CA 2.372 64.867 62.300 0.324 0.000 1.066 239 V CB -0.453 31.520 31.823 0.251 0.000 0.667 239 V HN 0.848 9.038 8.190 0.000 0.000 0.461 240 C N -1.474 117.898 119.300 0.121 0.000 2.449 240 C HA -0.098 4.331 4.460 -0.052 0.000 0.283 240 C C 2.303 176.980 174.990 -0.521 0.000 1.453 240 C CA 0.182 59.040 59.018 -0.266 0.000 1.779 240 C CB -2.065 25.560 27.740 -0.191 0.000 1.779 240 C HN 0.630 8.860 8.230 0.000 0.000 0.546 241 Y N 2.059 122.409 120.300 0.083 0.000 2.439 241 Y HA -0.063 4.459 4.550 -0.048 0.000 0.292 241 Y C 2.799 178.654 175.900 -0.076 0.000 1.130 241 Y CA 1.004 59.138 58.100 0.056 0.000 1.254 241 Y CB -0.466 38.045 38.460 0.086 0.000 1.000 241 Y HN 0.283 8.563 8.280 0.000 0.000 0.554 242 S N -0.227 115.504 115.700 0.051 0.000 2.423 242 S HA -0.241 4.198 4.470 -0.052 0.000 0.238 242 S C 1.536 176.106 174.600 -0.051 0.000 1.028 242 S CA 1.425 59.632 58.200 0.011 0.000 1.000 242 S CB -0.393 62.836 63.200 0.047 0.000 0.797 242 S HN 0.698 9.008 8.310 0.000 0.000 0.487 243 W N 0.388 121.422 121.300 -0.443 0.000 2.674 243 W HA 0.009 4.640 4.660 -0.049 0.000 0.298 243 W C 1.416 177.619 176.519 -0.527 0.000 1.115 243 W CA 0.035 56.996 57.345 -0.640 0.000 1.532 243 W CB -0.575 28.185 29.460 -1.167 0.000 1.142 243 W HN 0.331 8.511 8.180 0.000 0.000 0.528 244 W N 1.012 122.061 121.300 -0.417 0.000 2.358 244 W HA -0.183 4.444 4.660 -0.055 0.000 0.303 244 W C 2.261 178.630 176.519 -0.250 0.000 1.208 244 W CA 1.048 58.151 57.345 -0.403 0.000 1.274 244 W CB -1.070 28.372 29.460 -0.031 0.000 1.138 244 W HN -0.334 7.846 8.180 0.000 0.000 0.515 245 V N -0.065 119.897 119.914 0.081 0.000 2.407 245 V HA -0.216 3.873 4.120 -0.052 0.000 0.245 245 V C 2.018 178.065 176.094 -0.078 0.000 1.041 245 V CA 1.163 63.486 62.300 0.038 0.000 1.040 245 V CB -0.863 30.980 31.823 0.034 0.000 0.671 245 V HN 0.054 8.244 8.190 0.000 0.000 0.455 246 L N 0.546 121.672 121.223 -0.163 0.000 2.056 246 L HA -0.004 4.305 4.340 -0.052 0.000 0.207 246 L C 2.535 179.236 176.870 -0.281 0.000 1.078 246 L CA 2.163 56.897 54.840 -0.177 0.000 0.749 246 L CB -0.993 40.978 42.059 -0.147 0.000 0.901 246 L HN 0.259 8.489 8.230 0.000 0.000 0.433 247 A N -1.699 120.778 122.820 -0.571 0.000 1.908 247 A HA -0.213 4.076 4.320 -0.052 0.000 0.218 247 A C 2.436 179.875 177.584 -0.242 0.000 1.181 247 A CA 2.106 53.768 52.037 -0.624 0.000 0.627 247 A CB -0.854 17.354 19.000 -1.321 0.000 0.818 247 A HN 0.467 8.617 8.150 0.000 0.000 0.445 248 S N -0.101 115.516 115.700 -0.138 0.000 2.356 248 S HA -0.108 4.330 4.470 -0.052 0.000 0.223 248 S C 1.846 176.413 174.600 -0.054 0.000 1.032 248 S CA 1.450 59.626 58.200 -0.040 0.000 1.005 248 S CB -0.504 62.713 63.200 0.029 0.000 0.867 248 S HN 0.501 8.811 8.310 0.000 0.000 0.449 249 L N 1.067 122.253 121.223 -0.062 0.000 2.042 249 L HA -0.186 4.122 4.340 -0.052 0.000 0.210 249 L C 2.569 179.385 176.870 -0.089 0.000 1.076 249 L CA 1.343 56.141 54.840 -0.071 0.000 0.749 249 L CB -0.436 41.589 42.059 -0.057 0.000 0.893 249 L HN 0.218 8.448 8.230 0.000 0.000 0.432 250 K N 0.938 121.287 120.400 -0.085 0.000 2.057 250 K HA -0.150 4.139 4.320 -0.052 0.000 0.207 250 K C 1.822 178.392 176.600 -0.049 0.000 1.049 250 K CA 1.593 57.843 56.287 -0.061 0.000 0.931 250 K CB -0.416 32.048 32.500 -0.059 0.000 0.714 250 K HN 0.189 8.439 8.250 0.000 0.000 0.440 251 I N 1.059 121.597 120.570 -0.053 0.000 2.208 251 I HA -0.242 3.897 4.170 -0.052 0.000 0.245 251 I C 1.896 177.990 176.117 -0.039 0.000 1.097 251 I CA 1.491 62.768 61.300 -0.038 0.000 1.363 251 I CB -0.309 37.661 38.000 -0.051 0.000 1.051 251 I HN 0.257 8.467 8.210 0.000 0.000 0.413 252 I N -1.924 118.613 120.570 -0.055 0.000 3.875 252 I HA 0.408 4.546 4.170 -0.052 0.000 0.329 252 I C 1.241 177.295 176.117 -0.105 0.000 1.295 252 I CA 0.390 61.653 61.300 -0.062 0.000 1.129 252 I CB -0.201 37.768 38.000 -0.051 0.000 1.008 252 I HN 0.231 8.441 8.210 0.000 0.000 0.413 253 G N 2.524 111.264 108.800 -0.099 0.000 2.160 253 G HA2 -0.241 3.688 3.960 -0.052 0.000 0.244 253 G HA3 -0.241 3.688 3.960 -0.052 0.000 0.244 253 G C 0.425 175.219 174.900 -0.177 0.000 1.022 253 G CA -0.046 44.992 45.100 -0.103 0.000 0.741 253 G HN 0.461 8.751 8.290 0.000 0.000 0.508 254 R N -0.812 119.520 120.500 -0.281 0.000 2.659 254 R HA 0.292 4.601 4.340 -0.052 0.000 0.418 254 R C 1.761 177.835 176.300 -0.376 0.000 1.076 254 R CA -0.163 55.552 56.100 -0.641 0.000 1.093 254 R CB -0.244 29.445 30.300 -1.019 0.000 1.400 254 R HN 0.406 8.676 8.270 0.000 0.000 0.583 255 L N 2.212 123.383 121.223 -0.087 0.000 2.131 255 L HA -0.150 4.158 4.340 -0.052 0.000 0.210 255 L C 2.188 179.099 176.870 0.068 0.000 1.092 255 L CA 1.967 56.805 54.840 -0.004 0.000 0.759 255 L CB -0.440 41.632 42.059 0.022 0.000 0.903 255 L HN 0.324 8.554 8.230 0.000 0.000 0.435 256 H N -3.656 115.416 119.070 0.002 0.000 2.561 256 H HA -0.170 4.357 4.556 -0.048 0.000 0.278 256 H C 1.254 176.747 175.328 0.275 0.000 1.014 256 H CA 0.770 56.881 56.048 0.105 0.000 1.211 256 H CB -1.008 28.812 29.762 0.097 0.000 1.365 256 H HN 0.426 8.706 8.280 0.000 0.000 0.594 257 W N 0.936 122.021 121.300 -0.359 0.000 2.937 257 W HA 0.221 4.871 4.660 -0.017 0.000 0.245 257 W C 0.390 176.848 176.519 -0.101 0.000 1.306 257 W CA -0.731 56.469 57.345 -0.242 0.000 1.470 257 W CB -0.406 28.920 29.460 -0.223 0.000 1.132 257 W HN 0.073 8.253 8.180 0.000 0.000 0.675 258 I N 0.885 121.533 120.570 0.131 0.000 2.577 258 I HA 0.013 4.151 4.170 -0.052 0.000 0.300 258 I C 0.319 176.473 176.117 0.061 0.000 0.990 258 I CA -0.828 60.510 61.300 0.063 0.000 1.283 258 I CB 0.866 38.887 38.000 0.035 0.000 1.411 258 I HN -0.303 7.907 8.210 0.000 0.000 0.515 259 D N 5.680 126.100 120.400 0.034 0.000 2.402 259 D HA 0.053 4.662 4.640 -0.052 0.000 0.235 259 D C 1.246 177.572 176.300 0.043 0.000 1.226 259 D CA -0.017 54.006 54.000 0.038 0.000 0.918 259 D CB 0.462 41.274 40.800 0.021 0.000 1.043 259 D HN 0.531 8.901 8.370 0.000 0.000 0.506 260 R N 3.481 124.015 120.500 0.056 0.000 2.081 260 R HA -0.147 4.161 4.340 -0.052 0.000 0.235 260 R C 0.973 177.308 176.300 0.059 0.000 1.131 260 R CA 1.116 57.251 56.100 0.058 0.000 0.960 260 R CB 0.207 30.545 30.300 0.064 0.000 0.856 260 R HN 0.306 8.576 8.270 0.000 0.000 0.436 261 E N 1.040 121.273 120.200 0.056 0.000 2.072 261 E HA -0.134 4.185 4.350 -0.052 0.000 0.191 261 E C 1.886 178.524 176.600 0.064 0.000 0.985 261 E CA 1.186 57.620 56.400 0.057 0.000 0.801 261 E CB -0.101 29.628 29.700 0.048 0.000 0.750 261 E HN 0.437 8.797 8.360 0.000 0.000 0.452 262 K N 0.424 120.859 120.400 0.058 0.000 2.097 262 K HA -0.101 4.187 4.320 -0.052 0.000 0.205 262 K C 2.176 178.836 176.600 0.100 0.000 1.050 262 K CA 0.647 56.975 56.287 0.067 0.000 0.938 262 K CB -0.183 32.342 32.500 0.041 0.000 0.718 262 K HN 0.003 8.253 8.250 0.000 0.000 0.442 263 L N 1.619 122.890 121.223 0.080 0.000 2.056 263 L HA -0.114 4.195 4.340 -0.052 0.000 0.207 263 L C 2.382 179.353 176.870 0.168 0.000 1.078 263 L CA 1.536 56.440 54.840 0.106 0.000 0.749 263 L CB -0.424 41.667 42.059 0.053 0.000 0.901 263 L HN 0.025 8.255 8.230 0.000 0.000 0.433 264 R N -0.965 119.608 120.500 0.122 0.000 2.083 264 R HA -0.151 4.158 4.340 -0.052 0.000 0.237 264 R C 2.169 178.547 176.300 0.131 0.000 1.137 264 R CA 1.789 57.960 56.100 0.118 0.000 0.951 264 R CB -0.275 30.077 30.300 0.087 0.000 0.851 264 R HN 0.449 8.719 8.270 0.000 0.000 0.434 265 S N 0.336 116.109 115.700 0.122 0.000 2.382 265 S HA -0.167 4.272 4.470 -0.052 0.000 0.228 265 S C 1.439 176.116 174.600 0.129 0.000 1.027 265 S CA 1.414 59.678 58.200 0.106 0.000 0.991 265 S CB -0.418 62.837 63.200 0.091 0.000 0.823 265 S HN 0.430 8.740 8.310 0.000 0.000 0.469 266 F N 2.117 122.094 119.950 0.046 0.000 2.113 266 F HA -0.054 4.444 4.527 -0.048 0.000 0.297 266 F C 1.855 177.702 175.800 0.078 0.000 1.103 266 F CA 1.172 59.202 58.000 0.050 0.000 1.248 266 F CB -0.302 38.724 39.000 0.043 0.000 0.999 266 F HN 0.093 8.393 8.300 0.000 0.000 0.475 267 I N 0.296 121.013 120.570 0.245 0.000 2.179 267 I HA -0.340 3.799 4.170 -0.052 0.000 0.242 267 I C 2.327 178.553 176.117 0.182 0.000 1.088 267 I CA 1.427 62.850 61.300 0.205 0.000 1.357 267 I CB -0.644 37.485 38.000 0.214 0.000 1.051 267 I HN 0.177 8.387 8.210 0.000 0.000 0.409 268 L N 0.539 121.846 121.223 0.140 0.000 2.187 268 L HA -0.196 4.113 4.340 -0.052 0.000 0.213 268 L C 2.701 179.536 176.870 -0.058 0.000 1.100 268 L CA 1.106 55.992 54.840 0.077 0.000 0.765 268 L CB -0.725 41.373 42.059 0.064 0.000 0.904 268 L HN 0.262 8.492 8.230 0.000 0.000 0.437 269 A N -1.311 121.444 122.820 -0.109 0.000 2.119 269 A HA -0.152 4.137 4.320 -0.052 0.000 0.217 269 A C 2.191 179.638 177.584 -0.228 0.000 1.153 269 A CA 1.180 53.112 52.037 -0.175 0.000 0.692 269 A CB -0.810 18.067 19.000 -0.205 0.000 0.799 269 A HN 0.550 8.700 8.150 0.000 0.000 0.458 270 C N 0.008 119.167 119.300 -0.234 0.000 2.562 270 C HA 0.113 4.542 4.460 -0.052 0.000 0.266 270 C C 1.092 175.946 174.990 -0.227 0.000 1.382 270 C CA -0.487 58.419 59.018 -0.186 0.000 1.742 270 C CB -1.528 26.171 27.740 -0.069 0.000 1.812 270 C HN 0.590 8.820 8.230 0.000 0.000 0.559 271 Q N 1.627 121.184 119.800 -0.405 0.000 2.364 271 Q HA 0.112 4.421 4.340 -0.052 0.000 0.267 271 Q C -0.168 175.651 176.000 -0.301 0.000 0.999 271 Q CA 0.372 55.829 55.803 -0.575 0.000 0.886 271 Q CB 0.493 28.904 28.738 -0.545 0.000 1.243 271 Q HN 0.310 8.580 8.270 0.000 0.000 0.415 272 D N 2.240 122.480 120.400 -0.265 0.000 2.347 272 D HA 0.013 4.622 4.640 -0.052 0.000 0.235 272 D C 0.131 176.323 176.300 -0.180 0.000 1.149 272 D CA 0.075 53.962 54.000 -0.189 0.000 0.850 272 D CB 0.856 41.551 40.800 -0.175 0.000 1.061 272 D HN 0.544 8.914 8.370 0.000 0.000 0.487 273 E N 2.233 122.343 120.200 -0.150 0.000 2.268 273 E HA -0.183 4.136 4.350 -0.052 0.000 0.195 273 E C 1.577 178.108 176.600 -0.114 0.000 0.995 273 E CA 1.167 57.484 56.400 -0.138 0.000 0.836 273 E CB 0.470 30.105 29.700 -0.108 0.000 0.763 273 E HN 0.729 9.089 8.360 0.000 0.000 0.491 274 E N 0.551 120.694 120.200 -0.094 0.000 2.045 274 E HA -0.100 4.219 4.350 -0.052 0.000 0.190 274 E C 2.015 178.580 176.600 -0.057 0.000 0.968 274 E CA 1.276 57.637 56.400 -0.065 0.000 0.813 274 E CB -1.097 28.576 29.700 -0.046 0.000 0.780 274 E HN 0.344 8.704 8.360 0.000 0.000 0.455 275 T N -3.163 111.353 114.554 -0.063 0.000 2.985 275 T HA 0.377 4.696 4.350 -0.052 0.000 0.266 275 T C 1.593 176.262 174.700 -0.051 0.000 1.076 275 T CA 1.209 63.292 62.100 -0.029 0.000 1.135 275 T CB -0.454 68.392 68.868 -0.038 0.000 0.890 275 T HN 1.674 9.914 8.240 0.000 0.000 0.480 276 G N 0.433 109.147 108.800 -0.143 0.000 2.782 276 G HA2 0.357 4.286 3.960 -0.052 0.000 0.228 276 G HA3 0.357 4.286 3.960 -0.052 0.000 0.228 276 G C 0.275 174.990 174.900 -0.307 0.000 1.372 276 G CA -0.324 44.678 45.100 -0.164 0.000 0.862 276 G HN 2.010 10.300 8.290 0.000 0.000 0.547 277 G N -2.371 106.423 108.800 -0.010 0.000 2.814 277 G HA2 0.326 4.255 3.960 -0.052 0.000 0.677 277 G HA3 0.326 4.255 3.960 -0.052 0.000 0.677 277 G C -0.414 174.342 174.900 -0.239 0.000 1.429 277 G CA 0.261 45.213 45.100 -0.248 0.000 0.868 277 G HN 1.765 10.055 8.290 0.000 0.000 0.553 278 F N 0.412 120.231 119.950 -0.219 0.000 2.522 278 F HA 0.796 5.292 4.527 -0.053 0.000 0.324 278 F C 0.915 176.662 175.800 -0.088 0.000 1.077 278 F CA 0.115 58.025 58.000 -0.149 0.000 0.944 278 F CB 2.098 41.007 39.000 -0.152 0.000 1.175 278 F HN 0.930 9.230 8.300 0.000 0.000 0.468 279 A N 0.997 123.853 122.820 0.060 0.000 2.288 279 A HA 0.458 4.746 4.320 -0.052 0.000 0.328 279 A C 0.692 178.182 177.584 -0.157 0.000 1.123 279 A CA -0.375 51.634 52.037 -0.047 0.000 0.861 279 A CB 0.439 19.393 19.000 -0.077 0.000 1.272 279 A HN 0.762 8.912 8.150 0.000 0.000 0.490 280 D N -0.099 120.027 120.400 -0.455 0.000 2.149 280 D HA -0.131 4.478 4.640 -0.052 0.000 0.198 280 D C 0.630 176.897 176.300 -0.054 0.000 0.990 280 D CA 1.584 55.321 54.000 -0.438 0.000 0.839 280 D CB -0.122 40.407 40.800 -0.452 0.000 0.948 280 D HN 0.677 9.047 8.370 0.000 0.000 0.460 281 R N -1.236 119.230 120.500 -0.057 0.000 2.799 281 R HA 0.594 4.902 4.340 -0.052 0.000 0.270 281 R C -3.199 173.035 176.300 -0.110 0.000 1.010 281 R CA -2.103 53.974 56.100 -0.037 0.000 0.916 281 R CB 0.465 30.816 30.300 0.085 0.000 1.228 281 R HN -0.270 8.000 8.270 0.000 0.000 0.469 282 P HA -0.008 4.412 4.420 0.000 0.000 0.261 282 P C 0.557 177.803 177.300 -0.091 0.000 1.173 282 P CA 1.835 64.839 63.100 -0.160 0.000 0.760 282 P CB 0.482 32.079 31.700 -0.172 0.000 0.783 283 G N 1.580 110.328 108.800 -0.087 0.000 2.162 283 G HA2 -0.225 3.704 3.960 -0.052 0.000 0.260 283 G HA3 -0.225 3.704 3.960 -0.052 0.000 0.260 283 G C 0.159 175.034 174.900 -0.043 0.000 0.976 283 G CA 0.008 45.072 45.100 -0.059 0.000 0.655 283 G HN 0.486 8.776 8.290 0.000 0.000 0.533 284 D N -0.161 120.211 120.400 -0.046 0.000 2.423 284 D HA 0.595 5.204 4.640 -0.052 0.000 0.255 284 D C 1.342 177.625 176.300 -0.029 0.000 1.174 284 D CA -0.419 53.563 54.000 -0.029 0.000 1.008 284 D CB 0.321 41.100 40.800 -0.034 0.000 1.101 284 D HN 0.234 8.604 8.370 0.000 0.000 0.516 285 M N 0.611 120.210 119.600 -0.002 0.000 2.228 285 M HA 0.146 4.594 4.480 -0.052 0.000 0.351 285 M C -0.122 176.192 176.300 0.023 0.000 1.233 285 M CA -0.414 54.897 55.300 0.019 0.000 1.129 285 M CB 1.032 33.669 32.600 0.061 0.000 1.604 285 M HN -0.020 8.270 8.290 0.000 0.000 0.457 286 V N 2.920 122.836 119.914 0.003 0.000 2.881 286 V HA 0.152 4.241 4.120 -0.052 0.000 0.303 286 V C -0.300 175.869 176.094 0.124 0.000 1.070 286 V CA 0.287 62.573 62.300 -0.023 0.000 1.074 286 V CB 1.531 33.208 31.823 -0.244 0.000 1.012 286 V HN 1.019 9.209 8.190 0.000 0.000 0.482 287 D N 2.596 123.112 120.400 0.194 0.000 2.599 287 D HA 0.429 5.038 4.640 -0.052 0.000 0.252 287 D C -2.611 173.831 176.300 0.237 0.000 1.232 287 D CA -1.437 52.737 54.000 0.291 0.000 0.819 287 D CB 1.637 42.612 40.800 0.291 0.000 1.401 287 D HN 0.142 8.512 8.370 0.000 0.000 0.429 288 P HA 0.002 4.422 4.420 0.000 0.000 0.221 288 P C 0.973 178.200 177.300 -0.121 0.000 1.150 288 P CA 0.490 63.578 63.100 -0.020 0.000 0.800 288 P CB 0.003 31.550 31.700 -0.256 0.000 0.787 289 F N 0.320 120.058 119.950 -0.354 0.000 2.051 289 F HA -0.238 4.257 4.527 -0.053 0.000 0.296 289 F C 2.094 177.430 175.800 -0.775 0.000 1.122 289 F CA 1.886 59.325 58.000 -0.935 0.000 1.201 289 F CB -0.718 37.683 39.000 -0.998 0.000 0.978 289 F HN -0.020 8.280 8.300 0.000 0.000 0.472 290 H N -1.166 117.861 119.070 -0.073 0.000 2.495 290 H HA -0.054 4.470 4.556 -0.053 0.000 0.287 290 H C 2.137 177.297 175.328 -0.280 0.000 1.033 290 H CA 1.603 57.588 56.048 -0.104 0.000 1.307 290 H CB -0.402 29.423 29.762 0.105 0.000 1.401 290 H HN 0.235 8.515 8.280 0.000 0.000 0.555 291 T N 0.868 115.332 114.554 -0.150 0.000 2.737 291 T HA -0.130 4.189 4.350 -0.052 0.000 0.265 291 T C 2.018 176.402 174.700 -0.527 0.000 1.038 291 T CA 1.097 63.079 62.100 -0.196 0.000 1.144 291 T CB -0.303 68.594 68.868 0.049 0.000 0.866 291 T HN 0.143 8.383 8.240 0.000 0.000 0.434 292 L N 0.688 121.519 121.223 -0.653 0.000 1.989 292 L HA -0.010 4.298 4.340 -0.052 0.000 0.211 292 L C 1.902 178.195 176.870 -0.963 0.000 1.071 292 L CA 1.898 56.212 54.840 -0.876 0.000 0.749 292 L CB -0.964 40.374 42.059 -1.203 0.000 0.890 292 L HN 0.144 8.374 8.230 0.000 0.000 0.431 293 F N 0.148 119.595 119.950 -0.840 0.000 2.259 293 F HA 0.093 4.589 4.527 -0.051 0.000 0.298 293 F C 2.484 177.936 175.800 -0.581 0.000 1.088 293 F CA 0.806 58.318 58.000 -0.813 0.000 1.358 293 F CB -1.636 36.779 39.000 -0.976 0.000 1.040 293 F HN 0.180 8.480 8.300 0.000 0.000 0.505 294 G N 0.755 109.222 108.800 -0.554 0.000 2.433 294 G HA2 -0.201 3.728 3.960 -0.052 0.000 0.216 294 G HA3 -0.201 3.728 3.960 -0.052 0.000 0.216 294 G C 1.769 176.226 174.900 -0.739 0.000 1.186 294 G CA 0.838 45.450 45.100 -0.814 0.000 0.779 294 G HN 0.195 8.485 8.290 0.000 0.000 0.543 295 I N 1.771 121.863 120.570 -0.797 0.000 2.252 295 I HA -0.120 4.019 4.170 -0.052 0.000 0.245 295 I C 3.280 179.237 176.117 -0.266 0.000 1.102 295 I CA 1.286 62.319 61.300 -0.445 0.000 1.385 295 I CB -1.202 36.579 38.000 -0.365 0.000 1.064 295 I HN 0.268 8.478 8.210 0.000 0.000 0.414 296 A N 1.054 123.686 122.820 -0.314 0.000 1.902 296 A HA -0.106 4.183 4.320 -0.052 0.000 0.217 296 A C 2.503 180.138 177.584 0.086 0.000 1.181 296 A CA 1.860 53.786 52.037 -0.185 0.000 0.623 296 A CB -1.306 17.374 19.000 -0.534 0.000 0.818 296 A HN 0.429 8.579 8.150 0.000 0.000 0.443 297 G N -0.138 108.704 108.800 0.071 0.000 2.418 297 G HA2 -0.177 3.752 3.960 -0.052 0.000 0.217 297 G HA3 -0.177 3.752 3.960 -0.052 0.000 0.217 297 G C 1.555 176.484 174.900 0.048 0.000 1.158 297 G CA 1.046 46.205 45.100 0.098 0.000 0.771 297 G HN 0.435 8.725 8.290 0.000 0.000 0.545 298 L N 0.656 121.877 121.223 -0.004 0.000 2.042 298 L HA -0.109 4.199 4.340 -0.052 0.000 0.210 298 L C 3.130 180.020 176.870 0.034 0.000 1.076 298 L CA 1.356 56.208 54.840 0.020 0.000 0.749 298 L CB -0.425 41.641 42.059 0.012 0.000 0.893 298 L HN 0.378 8.608 8.230 0.000 0.000 0.432 299 S N 0.165 115.881 115.700 0.028 0.000 2.356 299 S HA -0.159 4.280 4.470 -0.052 0.000 0.223 299 S C 2.032 176.673 174.600 0.069 0.000 1.032 299 S CA 1.131 59.357 58.200 0.044 0.000 1.005 299 S CB -0.236 62.986 63.200 0.035 0.000 0.867 299 S HN 0.317 8.627 8.310 0.000 0.000 0.449 300 L N 0.842 122.124 121.223 0.099 0.000 2.127 300 L HA -0.069 4.239 4.340 -0.052 0.000 0.211 300 L C 2.128 179.032 176.870 0.057 0.000 1.089 300 L CA 1.068 55.961 54.840 0.088 0.000 0.757 300 L CB -0.409 41.701 42.059 0.084 0.000 0.899 300 L HN 0.381 8.611 8.230 0.000 0.000 0.434 301 L N -0.678 120.577 121.223 0.054 0.000 2.552 301 L HA 0.070 4.379 4.340 -0.052 0.000 0.227 301 L C 1.169 178.068 176.870 0.049 0.000 1.146 301 L CA 0.592 55.462 54.840 0.050 0.000 0.858 301 L CB -0.303 41.787 42.059 0.053 0.000 0.969 301 L HN 0.487 8.717 8.230 0.000 0.000 0.451 302 G N 0.708 109.537 108.800 0.048 0.000 2.173 302 G HA2 -0.225 3.703 3.960 -0.052 0.000 0.174 302 G HA3 -0.225 3.703 3.960 -0.052 0.000 0.174 302 G C -0.125 174.800 174.900 0.042 0.000 1.025 302 G CA -0.405 44.721 45.100 0.044 0.000 0.706 302 G HN 0.272 8.562 8.290 0.000 0.000 0.499 303 E N 0.410 120.636 120.200 0.044 0.000 2.217 303 E HA 0.580 4.899 4.350 -0.052 0.000 0.279 303 E C 1.469 178.093 176.600 0.040 0.000 1.068 303 E CA 1.048 57.474 56.400 0.044 0.000 0.882 303 E CB 0.474 30.203 29.700 0.048 0.000 1.039 303 E HN 0.639 8.999 8.360 0.000 0.000 0.418 304 E N 3.769 123.991 120.200 0.038 0.000 2.150 304 E HA -0.227 4.091 4.350 -0.052 0.000 0.193 304 E C 1.353 177.973 176.600 0.034 0.000 0.985 304 E CA 1.709 58.130 56.400 0.034 0.000 0.814 304 E CB -0.622 29.096 29.700 0.031 0.000 0.752 304 E HN 0.766 9.126 8.360 0.000 0.000 0.466 305 Q N -0.875 118.947 119.800 0.037 0.000 2.482 305 Q HA 0.278 4.587 4.340 -0.052 0.000 0.209 305 Q C 0.064 176.086 176.000 0.037 0.000 0.961 305 Q CA 0.072 55.898 55.803 0.038 0.000 0.945 305 Q CB 0.105 28.870 28.738 0.045 0.000 1.012 305 Q HN 0.545 8.815 8.270 0.000 0.000 0.515 306 I N 0.851 121.441 120.570 0.033 0.000 2.474 306 I HA 0.222 4.360 4.170 -0.052 0.000 0.294 306 I C -0.220 175.910 176.117 0.021 0.000 1.005 306 I CA -1.016 60.297 61.300 0.022 0.000 1.113 306 I CB 1.791 39.799 38.000 0.013 0.000 1.289 306 I HN -0.135 8.075 8.210 0.000 0.000 0.436 307 K N 5.567 125.975 120.400 0.014 0.000 2.414 307 K HA 0.171 4.459 4.320 -0.052 0.000 0.272 307 K C -2.366 174.250 176.600 0.027 0.000 0.993 307 K CA -1.272 55.027 56.287 0.020 0.000 0.964 307 K CB -0.072 32.437 32.500 0.015 0.000 0.925 307 K HN 0.227 8.477 8.250 0.000 0.000 0.487 308 P HA -0.066 4.354 4.420 0.000 0.000 0.264 308 P C -0.785 176.557 177.300 0.071 0.000 1.193 308 P CA -0.039 63.095 63.100 0.056 0.000 0.763 308 P CB 0.605 32.338 31.700 0.056 0.000 0.810 309 V N 3.395 123.369 119.914 0.101 0.000 2.483 309 V HA 0.355 4.444 4.120 -0.052 0.000 0.295 309 V C 0.094 176.320 176.094 0.221 0.000 1.035 309 V CA -0.580 61.803 62.300 0.138 0.000 0.896 309 V CB 1.760 33.658 31.823 0.125 0.000 0.986 309 V HN 0.585 8.774 8.190 0.000 0.000 0.447 310 S N 8.158 124.015 115.700 0.260 0.000 2.510 310 S HA 0.324 4.763 4.470 -0.052 0.000 0.279 310 S C -1.184 173.695 174.600 0.465 0.000 1.284 310 S CA -0.671 57.726 58.200 0.328 0.000 1.059 310 S CB 1.150 64.584 63.200 0.389 0.000 0.901 310 S HN 0.776 9.086 8.310 0.000 0.000 0.491 311 P HA -0.028 4.392 4.420 0.000 0.000 0.226 311 P C 1.302 178.810 177.300 0.347 0.000 1.153 311 P CA 0.503 63.756 63.100 0.255 0.000 0.777 311 P CB 0.065 31.790 31.700 0.042 0.000 0.794 312 V N -1.253 118.842 119.914 0.302 0.000 2.331 312 V HA -0.052 4.036 4.120 -0.052 0.000 0.242 312 V C 2.100 178.353 176.094 0.265 0.000 1.034 312 V CA 1.601 63.984 62.300 0.138 0.000 1.027 312 V CB -1.142 30.608 31.823 -0.121 0.000 0.667 312 V HN -0.071 8.119 8.190 0.000 0.000 0.457 313 F N -1.171 119.072 119.950 0.488 0.000 2.749 313 F HA 0.299 4.795 4.527 -0.051 0.000 0.300 313 F C 1.375 177.457 175.800 0.470 0.000 1.103 313 F CA 0.167 58.447 58.000 0.467 0.000 1.342 313 F CB -0.172 38.985 39.000 0.262 0.000 1.098 313 F HN 0.166 8.466 8.300 0.000 0.000 0.586 314 C N 2.368 122.041 119.300 0.622 0.000 3.727 314 C HA -0.227 4.202 4.460 -0.052 0.000 0.293 314 C C -0.095 175.020 174.990 0.208 0.000 1.339 314 C CA 0.106 59.272 59.018 0.245 0.000 2.150 314 C CB -2.350 25.388 27.740 -0.003 0.000 1.383 314 C HN 0.459 8.689 8.230 0.000 0.000 0.614 315 M N 1.364 121.100 119.600 0.227 0.000 2.569 315 M HA 0.471 4.920 4.480 -0.052 0.000 0.279 315 M C -2.485 173.875 176.300 0.101 0.000 1.253 315 M CA -1.668 53.722 55.300 0.150 0.000 0.867 315 M CB 2.082 34.795 32.600 0.188 0.000 1.727 315 M HN -0.108 8.182 8.290 0.000 0.000 0.467 316 P HA -0.022 4.398 4.420 0.000 0.000 0.264 316 P C 0.026 177.364 177.300 0.062 0.000 1.193 316 P CA 0.265 63.389 63.100 0.040 0.000 0.763 316 P CB 0.446 32.153 31.700 0.012 0.000 0.810 317 E N 3.224 123.471 120.200 0.077 0.000 2.171 317 E HA -0.246 4.072 4.350 -0.052 0.000 0.197 317 E C 1.572 178.201 176.600 0.047 0.000 0.997 317 E CA 1.577 58.024 56.400 0.078 0.000 0.810 317 E CB -0.089 29.660 29.700 0.081 0.000 0.738 317 E HN 0.697 9.057 8.360 0.000 0.000 0.467 318 E N 0.480 120.702 120.200 0.036 0.000 2.153 318 E HA -0.118 4.201 4.350 -0.052 0.000 0.194 318 E C 2.127 178.735 176.600 0.013 0.000 0.988 318 E CA 1.164 57.578 56.400 0.024 0.000 0.811 318 E CB -0.302 29.412 29.700 0.023 0.000 0.746 318 E HN 0.005 8.365 8.360 0.000 0.000 0.466 319 V N 1.533 121.452 119.914 0.009 0.000 2.307 319 V HA -0.237 3.852 4.120 -0.052 0.000 0.245 319 V C 2.442 178.517 176.094 -0.031 0.000 1.045 319 V CA 1.620 63.915 62.300 -0.009 0.000 1.024 319 V CB -0.448 31.367 31.823 -0.013 0.000 0.651 319 V HN 0.267 8.457 8.190 0.000 0.000 0.449 320 L N -0.470 120.734 121.223 -0.032 0.000 2.093 320 L HA -0.203 4.106 4.340 -0.052 0.000 0.208 320 L C 2.605 179.454 176.870 -0.036 0.000 1.085 320 L CA 1.618 56.415 54.840 -0.071 0.000 0.755 320 L CB -0.587 41.444 42.059 -0.047 0.000 0.904 320 L HN 0.375 8.605 8.230 0.000 0.000 0.435 321 Q N 0.225 120.023 119.800 -0.003 0.000 2.096 321 Q HA -0.264 4.044 4.340 -0.052 0.000 0.204 321 Q C 2.460 178.458 176.000 -0.004 0.000 0.982 321 Q CA 1.525 57.331 55.803 0.005 0.000 0.850 321 Q CB -0.062 28.686 28.738 0.017 0.000 0.901 321 Q HN 0.291 8.561 8.270 0.000 0.000 0.422 322 R N 0.251 120.747 120.500 -0.007 0.000 2.083 322 R HA -0.145 4.164 4.340 -0.052 0.000 0.237 322 R C 1.950 178.240 176.300 -0.016 0.000 1.137 322 R CA 1.904 58.000 56.100 -0.007 0.000 0.951 322 R CB -0.318 29.980 30.300 -0.004 0.000 0.851 322 R HN 0.386 8.656 8.270 0.000 0.000 0.434 323 V N -1.274 118.617 119.914 -0.037 0.000 3.623 323 V HA 0.092 4.181 4.120 -0.052 0.000 0.271 323 V C 0.313 176.380 176.094 -0.045 0.000 1.248 323 V CA 0.690 62.960 62.300 -0.049 0.000 1.156 323 V CB -0.961 30.811 31.823 -0.086 0.000 0.870 323 V HN 0.445 8.635 8.190 0.000 0.000 0.453 324 N N -0.347 118.335 118.700 -0.031 0.000 2.740 324 N HA -0.196 4.513 4.740 -0.052 0.000 0.248 324 N C -0.499 174.999 175.510 -0.020 0.000 1.062 324 N CA 1.006 54.047 53.050 -0.016 0.000 0.704 324 N CB -1.283 37.200 38.487 -0.007 0.000 0.968 324 N HN 0.718 9.098 8.380 0.000 0.000 0.547 325 V N 1.049 120.938 119.914 -0.043 0.000 2.327 325 V HA 0.440 4.528 4.120 -0.052 0.000 0.272 325 V C -0.762 175.352 176.094 0.032 0.000 1.019 325 V CA -0.235 62.046 62.300 -0.032 0.000 0.814 325 V CB 1.019 32.756 31.823 -0.143 0.000 1.040 325 V HN 0.262 8.452 8.190 0.000 0.000 0.440 326 Q N 6.676 126.527 119.800 0.084 0.000 2.695 326 Q HA 0.422 4.730 4.340 -0.052 0.000 0.246 326 Q C -2.595 173.480 176.000 0.125 0.000 0.961 326 Q CA -1.613 54.266 55.803 0.128 0.000 0.708 326 Q CB 1.849 30.638 28.738 0.085 0.000 1.282 326 Q HN 0.583 8.853 8.270 0.000 0.000 0.482 327 P HA -0.040 4.380 4.420 0.000 0.000 0.265 327 P C -0.479 176.866 177.300 0.075 0.000 1.193 327 P CA 0.052 63.214 63.100 0.104 0.000 0.765 327 P CB 0.686 32.443 31.700 0.094 0.000 0.823 328 E N 1.493 121.724 120.200 0.052 0.000 2.384 328 E HA 0.166 4.485 4.350 -0.052 0.000 0.266 328 E C -0.030 176.592 176.600 0.035 0.000 1.012 328 E CA -0.173 56.252 56.400 0.042 0.000 0.901 328 E CB 0.340 30.060 29.700 0.034 0.000 0.967 328 E HN 0.345 8.705 8.360 0.000 0.000 0.435 329 L N 1.625 122.866 121.223 0.030 0.000 2.397 329 L HA 0.426 4.735 4.340 -0.052 0.000 0.266 329 L C -0.050 176.828 176.870 0.013 0.000 1.040 329 L CA -1.327 53.524 54.840 0.018 0.000 0.800 329 L CB 0.736 42.805 42.059 0.015 0.000 1.324 329 L HN 0.246 8.476 8.230 0.000 0.000 0.469 330 V N 0.493 120.409 119.914 0.002 0.000 2.555 330 V HA 0.089 4.177 4.120 -0.052 0.000 0.286 330 V C 0.565 176.652 176.094 -0.012 0.000 1.044 330 V CA -0.032 62.268 62.300 -0.001 0.000 1.026 330 V CB 1.082 32.898 31.823 -0.012 0.000 0.981 330 V HN 0.771 8.961 8.190 0.000 0.000 0.480 331 S N 0.000 115.696 115.700 -0.007 0.000 2.498 331 S HA 0.000 4.439 4.470 -0.052 0.000 0.327 331 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 331 S CB 0.000 63.196 63.200 -0.006 0.000 0.593 331 S HN 0.000 8.310 8.310 0.000 0.000 0.517