NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 R 4.3346 8.2129 119.0731 56.1785 31.4510 177.8851 2 M 3.9599 8.9596 119.3744 59.3577 32.1600 178.3216 3 K 4.2556 8.7833 121.3307 58.9874 32.8891 178.5319 4 Q 3.9825 8.0952 118.1806 59.0276 28.6522 178.5813 5 I 3.7075 7.8925 120.7849 64.3861 37.1358 178.1516 6 E 3.9142 8.1724 120.0670 59.3860 29.5011 178.5490 7 D 4.3599 8.5736 119.4041 57.2158 40.7838 178.7589 8 K 3.9502 8.2054 120.1203 59.3877 32.1348 178.7752 9 L 3.9615 8.1192 119.4846 57.9705 41.5881 179.2248 10 E 3.9078 8.3482 119.1304 59.0308 29.5351 178.5399 11 E 3.9378 8.0720 119.4590 59.4029 29.7280 178.9129 12 I 3.7787 8.0064 120.0544 64.2908 37.0525 178.4200 13 L 4.0282 8.2817 120.4541 57.8376 41.5835 179.7403 14 S 4.1925 8.2092 114.2127 61.4197 62.8634 176.7875 15 K 4.1373 8.2684 122.1314 59.2389 31.8393 179.3439 16 L 4.1219 8.2091 119.4460 57.5887 41.4987 178.7386 17 Y 4.2310 8.3804 119.9889 61.1186 38.7117 177.9570 18 H 3.9944 8.1823 116.6858 58.6254 28.7667 177.9614 19 I 3.7233 7.8208 121.8340 64.5352 37.0021 178.6960 20 S 4.2915 8.6188 116.2939 61.5114 62.5801 176.5418 21 N 4.2348 8.1144 119.5381 56.2241 38.2703 177.2720 22 E 4.0144 8.0851 119.9881 59.0749 29.6038 179.2163 23 L 3.9983 8.5153 119.3527 57.6289 41.5834 179.3778 24 A 4.0609 8.1129 120.9099 55.0551 18.1943 179.6984 25 R 3.8411 8.0542 117.3651 59.3983 30.1291 178.9303 26 I 3.6958 7.5988 119.6739 64.2192 37.1627 178.1107 27 K 3.8713 8.4623 120.9317 59.3935 31.7440 178.7012 28 K 3.9110 8.1322 119.8743 59.5736 31.9668 178.9307 29 L 4.0216 7.9914 118.3054 57.7591 41.5892 179.2185 30 L 4.2526 7.9612 118.3801 57.4929 41.6501 179.3670 31 G 3.7193 7.8818 104.5709 46.7366 0.0000 173.9673 32 E 4.3462 7.8066 125.0533 56.5587 29.8107 175.9337 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *1 R 8.21 4.33 0.00 1.75 1.75 0.00 3.23 0.00 0.00 3.33 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 2 M 8.96 3.96 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.22 0.00 3 K 8.78 4.26 0.00 1.91 1.82 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.50 1.09 7.81 4 Q 8.10 3.98 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 5 I 7.89 3.71 2.07 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.91 0.00 0.00 6 E 8.17 3.91 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 7 D 8.57 4.36 0.00 2.91 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.21 3.95 0.00 1.98 1.95 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.53 7.81 9 L 8.12 3.96 0.00 1.87 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.35 3.91 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 11 E 8.07 3.94 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 12 I 8.01 3.78 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.50 0.93 0.00 0.00 13 L 8.28 4.03 0.00 1.82 1.72 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.21 4.19 0.00 4.12 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.27 4.14 0.00 2.05 1.93 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.62 7.81 16 L 8.21 4.12 0.00 1.86 1.75 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.38 4.23 0.00 3.14 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.18 3.99 0.00 3.41 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.82 3.72 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.69 0.90 0.00 0.00 20 S 8.62 4.29 0.00 3.91 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.11 4.23 0.00 2.57 2.67 0.00 0.00 6.96 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.09 4.01 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.56 0.00 23 L 8.52 4.00 0.00 1.61 1.70 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.11 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.05 3.84 0.00 1.87 2.12 0.00 3.08 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 26 I 7.60 3.70 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.90 0.00 0.00 27 K 8.46 3.87 0.00 1.85 1.97 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 28 K 8.13 3.91 0.00 2.01 1.91 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.52 7.81 29 L 7.99 4.02 0.00 1.77 1.71 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.96 4.25 0.00 1.75 1.72 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.88 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.81 4.35 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 * Residues marked with a * may have inaccurate shift predictions.