NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2764 8.1693 120.6242 53.6615 43.0497 176.4817 2 P 4.2363 0.0000 0.0000 62.0554 31.8570 175.8433 3 A 4.0957 9.2526 123.4763 54.4827 19.6044 179.2163 4 S 4.8054 7.4157 110.6741 57.1421 67.0618 173.2914 5 F 4.7618 8.4122 123.4251 57.2855 42.2408 173.4489 6 D 4.3006 7.3862 125.9903 51.7519 43.1665 175.6156 7 A 4.0142 8.5888 129.5719 55.0875 18.1560 179.1129 8 R 3.9897 8.2432 116.1184 58.8020 30.0765 178.3448 9 E 4.1911 7.5768 117.5512 58.6895 30.1178 178.0841 10 Q 3.7425 7.4956 117.7349 57.4713 30.5501 176.2853 11 W 5.6940 8.2702 118.4119 53.0749 29.4922 174.0523 12 P 4.3921 0.0000 0.0000 65.1474 31.7579 178.4348 13 Q 4.1642 8.2311 116.0446 57.4436 28.8789 175.9315 14 C 4.7525 8.1516 117.8450 54.1926 35.1725 172.2952 15 P 4.1881 0.0000 0.0000 65.7402 31.0953 178.1104 16 T 4.0680 7.9821 107.8800 64.9318 68.1609 176.2642 17 I 3.8609 7.4154 122.2165 63.8538 37.1750 177.2552 18 K 4.1991 7.8139 117.1905 58.2227 33.1698 177.1146 19 E 4.1172 7.8233 120.4689 56.2022 29.7681 176.0474 20 I 4.4497 8.2532 124.3207 59.5972 39.2695 175.2840 21 R 4.6301 8.3952 122.9390 54.4139 32.7212 174.7212 22 D 4.5821 8.3541 117.3167 52.4440 42.9745 175.2249 23 Q 2.8796 8.1655 125.3987 56.6546 29.2618 177.7021 24 G 3.7378 7.9938 106.9835 45.2234 0.0000 173.9641 25 S 4.4540 8.1933 111.2866 56.0806 61.4205 172.1512 26 C 4.5594 7.4204 118.4140 58.4426 35.0051 174.5990 27 G 3.9834 8.7203 118.2404 45.2626 0.0000 174.2654 28 S 4.4227 7.5893 111.1612 58.2130 64.0153 174.9670 29 C 4.1062 8.1611 120.4249 61.8618 27.2521 175.8900 30 W 4.2945 8.3172 118.3159 59.2280 27.7347 177.6683 31 A 4.0972 7.2829 121.3433 53.6483 18.3293 179.5980 32 F 3.6359 7.9568 116.2897 60.6955 39.1011 177.6559 33 G 3.8331 8.1468 105.0249 48.0052 0.0000 175.3378 34 A 3.9713 7.5072 121.2080 55.2792 18.5502 180.2955 35 V 3.5766 7.7962 110.3845 63.9852 31.4826 178.9917 36 E 3.8318 7.9789 118.2322 59.4522 29.4409 179.1744 37 A 4.0589 7.7873 120.1936 54.9107 18.4801 179.6589 38 I 3.7765 7.7526 118.7111 64.2042 36.9392 178.7304 39 S 4.0702 8.0019 116.2132 61.6225 62.6222 176.0298 40 D 4.3442 7.9541 121.4914 57.7862 40.6391 179.2462 41 R 3.8101 7.9252 118.1028 59.3219 29.5191 179.3451 42 I 3.6872 7.5880 119.4002 64.2961 37.0795 177.6729 43 C 4.0849 7.8240 119.0895 59.8154 43.3394 175.4986 44 I 3.3218 7.4061 120.0531 64.2203 36.5975 177.1269 45 H 4.6845 7.6630 113.9243 55.9381 28.7826 174.7629 46 T 3.8914 7.6805 122.9577 61.4571 73.3194 172.5575 47 N 4.5424 8.1685 124.9676 52.9429 37.5615 175.1645 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 L 8.17 4.28 0.00 1.63 1.62 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.24 0.00 2.52 2.20 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 3 A 9.25 4.10 1.32 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 4 S 7.42 4.81 0.00 3.83 3.74 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 5 F 8.41 4.76 0.00 2.88 2.92 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 6 D 7.39 4.30 0.00 2.56 2.27 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 7 A 8.59 4.01 1.67 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 8 R 8.24 3.99 0.00 1.91 2.00 0.00 3.16 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 9 E 7.58 4.19 0.00 1.90 1.82 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 2.22 2.23 0.00 10 Q 7.50 3.74 0.00 1.12 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.34 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.00 11 W 8.27 5.69 0.00 3.58 2.89 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 12 P 0.00 4.39 0.00 2.19 2.19 0.00 3.80 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 13 Q 8.23 4.16 0.00 2.27 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.90 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 14 C 8.15 4.75 0.00 3.14 3.02 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 P 0.00 4.19 0.00 2.15 2.12 0.00 3.61 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 16 T 7.98 4.07 4.22 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 1.24 0.00 0.00 17 I 7.42 3.86 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.68 0.96 0.00 0.00 18 K 7.81 4.20 0.00 1.91 1.95 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.70 1.41 7.81 19 E 7.82 4.12 0.00 2.21 1.94 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 2.47 0.00 20 I 8.25 4.45 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 0.92 0.00 0.00 21 R 8.40 4.63 0.00 2.14 2.20 0.00 3.06 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 22 D 8.35 4.58 0.00 2.54 2.49 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 23 Q 8.17 2.88 0.00 1.51 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 24 G 7.99 3.74 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 25 S 8.19 4.45 0.00 3.85 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 26 C 7.42 4.56 0.00 2.86 2.87 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 27 G 8.72 3.98 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 28 S 7.59 4.42 0.00 3.92 4.04 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 0.00 0.00 0.00 29 C 8.16 4.11 0.00 3.19 3.26 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 30 W 8.32 4.29 0.00 3.69 3.43 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 31 A 7.28 4.10 0.15 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 0.00 0.00 32 F 7.96 3.64 0.00 3.04 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 33 G 8.15 3.83 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 34 A 7.51 3.97 1.39 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 35 V 7.80 3.58 1.90 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 0.58 0.00 0.00 0.60 0.00 0.00 36 E 7.98 3.83 0.00 2.04 1.98 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 2.43 0.00 37 A 7.79 4.06 1.30 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 38 I 7.75 3.78 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.22 0.87 0.00 0.00 39 S 8.00 4.07 0.00 4.00 3.86 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 0.00 0.00 0.00 40 D 7.95 4.34 0.00 2.78 2.59 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 41 R 7.93 3.81 0.00 1.80 1.92 0.00 3.08 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.84 0.00 42 I 7.59 3.69 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.07 0.88 0.00 0.00 43 C 7.82 4.08 0.00 2.93 3.17 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 44 I 7.41 3.32 1.45 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.35 0.08 0.00 0.00 45 H 7.66 4.68 0.00 3.14 3.31 0.00 5.90 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.68 3.89 4.25 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 1.32 0.00 0.00 47 N 8.17 4.54 0.00 2.73 2.77 0.00 0.00 7.00 7.44 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