NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2884 8.1733 121.7887 56.4478 34.6401 177.9415 4 Q 3.8062 8.1201 118.0709 58.6214 28.6752 176.9957 5 I 3.7447 8.5179 121.5922 64.4911 37.7086 177.9643 6 E 4.0456 8.1062 118.9629 59.3437 29.3573 178.9462 7 D 4.3979 8.2145 119.1705 57.0730 40.8423 178.9238 8 K 4.0306 8.2424 119.2150 59.3141 32.1134 179.1988 9 G 3.8728 8.0344 106.0366 48.3770 0.0000 175.4961 10 E 4.0575 8.0807 121.0049 58.7220 29.5406 179.1849 11 E 3.9874 8.1471 119.6000 59.1477 29.7017 178.9518 12 I 3.7016 7.9230 119.9675 64.3500 37.2204 178.3550 13 L 3.8408 7.9590 120.0367 57.8290 41.5886 179.8432 14 S 4.4472 8.2653 114.1531 61.3943 62.8674 176.6834 15 K 4.0664 8.0571 121.8617 59.2696 31.7087 179.2971 16 L 3.9453 7.8880 119.3548 57.9055 41.4556 179.1070 17 Y 4.3422 7.9231 116.7963 61.2683 37.7404 178.1328 18 H 4.2137 8.2412 118.7881 59.3201 30.0071 177.3805 19 I 3.8009 8.0458 121.8088 64.5775 36.8949 178.3282 20 E 4.0012 8.6286 119.7764 59.4118 29.2107 179.1958 21 N 4.3452 8.4120 116.6608 56.3806 38.5914 177.3071 22 E 3.9403 8.2866 120.0368 59.3888 29.4268 179.4545 23 L 4.0305 8.1805 118.9089 57.4361 41.6908 179.2204 24 A 3.9828 8.2377 121.0394 55.3006 18.3311 179.8647 25 R 3.8973 8.1843 116.5494 59.3567 30.0880 179.3418 26 I 3.6868 7.7424 119.5982 64.3748 36.9318 178.4400 27 K 3.9467 8.0556 119.2674 59.1496 32.3566 178.5758 28 K 4.0808 8.1210 120.0069 59.5936 32.1194 178.3863 29 L 3.9404 7.8949 119.1369 58.2071 41.3925 179.4862 30 L 4.0585 8.0781 118.4736 57.7406 41.7151 179.3826 31 G 3.8161 7.6700 103.0836 45.8622 0.0000 173.5446 32 E 4.1993 8.2048 125.5992 56.6110 29.5952 176.2808 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 3 K 8.17 4.29 0.00 1.85 1.87 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.65 7.81 4 Q 8.12 3.81 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 5 I 8.52 3.74 1.87 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 1.64 0.87 0.91 0.00 0.00 6 E 8.11 4.05 0.00 2.01 2.00 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 2.40 2.40 0.00 7 D 8.21 4.40 0.00 2.99 2.71 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 8.24 4.03 0.00 2.07 1.85 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.60 7.81 9 G 8.03 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.08 4.06 0.00 2.18 2.04 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 2.35 2.48 0.00 11 E 8.15 3.99 0.00 2.20 2.08 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 2.35 0.00 12 I 7.92 3.70 2.07 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 1.51 0.73 0.88 0.00 0.00 13 L 7.96 3.84 0.00 1.83 1.70 0.94 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.27 4.45 0.00 4.15 4.29 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 8.06 4.07 0.00 2.01 1.92 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.57 7.81 16 L 7.89 3.95 0.00 1.63 1.52 0.82 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.92 4.34 0.00 3.25 2.90 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 18 H 8.24 4.21 0.00 3.33 3.53 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.05 3.80 2.01 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 1.53 0.64 0.90 0.00 0.00 20 E 8.63 4.00 0.00 2.20 2.04 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 2.33 2.62 0.00 21 N 8.41 4.35 0.00 2.88 2.87 0.00 0.00 7.00 7.24 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 8.29 3.94 0.00 2.10 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 2.23 2.30 0.00 23 L 8.18 4.03 0.00 1.83 1.70 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.24 3.98 1.38 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 8.18 3.90 0.00 2.15 1.99 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 26 I 7.74 3.69 2.01 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 1.40 0.74 0.91 0.00 0.00 27 K 8.06 3.95 0.00 1.82 2.01 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 28 K 8.12 4.08 0.00 2.02 1.94 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.48 7.81 29 L 7.89 3.94 0.00 1.88 1.70 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.08 4.06 0.00 1.61 1.76 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.67 3.82 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 8.20 4.20 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00