NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.3008 8.4449 120.3646 55.8766 30.9846 172.6462 3 Y 4.5985 8.1444 120.8429 56.6558 38.8399 172.5281 4 E 4.2424 9.3689 122.2753 56.5683 31.1572 175.9585 5 E 4.6114 8.4776 119.7346 54.9982 33.7304 175.4627 6 G 3.8872 8.7292 105.7168 43.8232 0.0000 171.1348 7 P 4.2369 0.0000 0.0000 64.2690 31.3966 177.4883 8 G 3.8604 8.8667 110.1338 45.6762 0.0000 173.7294 9 K 4.4136 8.0211 117.4719 56.0146 33.7072 176.1969 10 N 4.9272 7.8592 116.1423 52.3175 37.9525 174.5854 11 I 4.4894 7.0959 110.2836 59.3506 40.5784 173.2155 12 P 4.3764 0.0000 0.0000 63.6322 31.7122 175.7893 13 F 4.9654 6.9420 113.2405 54.8823 40.6998 174.2215 14 S 4.5515 8.5162 115.9576 57.5835 63.1872 174.2047 15 V 4.5030 7.9545 119.3397 61.1301 32.4733 176.7764 16 E 3.9740 8.1166 123.3609 58.4703 29.6986 177.0486 17 N 4.9343 7.8615 117.4031 51.1378 41.5107 174.9367 18 K 3.7442 8.3882 127.8030 59.2386 32.6559 178.9195 19 W 4.4847 7.8114 119.9975 59.2138 29.2964 178.3385 20 R 3.9826 8.6863 119.0451 59.2589 29.4604 178.2845 21 L 3.9363 8.1926 120.4634 58.1068 42.0893 178.6625 22 L 3.9436 7.8916 120.0601 58.0754 42.0143 178.8499 23 A 4.0468 8.1876 120.6942 55.3504 18.2620 179.3589 24 M 3.9753 8.2448 117.3157 59.1120 32.1460 179.0477 25 M 4.0750 8.3319 118.8375 58.6441 32.0786 179.1201 26 T 4.0395 8.0852 116.1092 66.4991 68.5946 176.9181 27 L 4.0147 8.0644 120.9449 58.2497 41.5840 178.5980 28 F 4.0433 8.5415 120.7692 61.8546 39.1412 177.1004 29 F 4.3061 8.8363 117.2690 60.3308 38.9351 178.2358 30 G 3.7321 8.4120 105.9566 47.7228 0.0000 175.9436 31 S 4.2578 8.5174 117.4756 61.0896 62.7274 176.8702 32 G 3.5132 7.5381 108.3940 47.5516 0.0000 175.2129 33 F 4.3549 8.2481 121.9989 60.7851 39.7956 176.7501 34 A 4.4823 8.5734 120.4486 54.6121 18.2381 179.1059 35 A 4.0246 8.0054 119.6958 55.3665 18.3539 178.1107 36 P 4.0890 0.0000 0.0000 65.6710 31.3334 178.8747 37 F 3.9425 7.9249 116.0808 60.6040 38.8170 177.5687 38 F 4.0372 8.5155 116.9202 60.1172 38.6333 178.0053 39 I 3.8208 7.9748 120.0554 64.1082 36.8829 178.4784 40 V 3.5223 7.9416 119.3056 65.8951 31.3778 177.9917 41 R 3.8176 8.0471 118.4581 59.6362 29.6769 177.7037 42 H 4.1279 8.2199 117.0222 59.7313 29.8848 176.9137 43 Q 4.0683 8.3255 119.6784 58.8835 26.9134 178.7369 44 L 4.1220 8.1619 120.1335 57.2549 41.4793 178.6611 45 L 3.8676 7.7180 116.6459 55.7902 41.8942 178.6528 46 K 4.1220 7.5379 117.5149 56.8038 32.1767 176.7025 47 K 3.9397 7.0442 122.6700 57.1795 34.1128 173.7212 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 2 H 8.44 4.30 0.00 3.02 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.14 4.60 0.00 3.17 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.37 4.24 0.00 1.96 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 2.27 0.00 5 E 8.48 4.61 0.00 1.86 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 6 G 8.73 3.89 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 0.00 0.00 0.00 7 P 0.00 4.24 0.00 2.02 2.01 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 8 G 8.87 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 0.00 0.00 0.00 9 K 8.02 4.41 0.00 1.70 1.78 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.63 7.81 10 N 7.86 4.93 0.00 2.77 2.84 0.00 0.00 5.83 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.10 4.49 0.74 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.29 0.65 0.00 0.00 12 P 0.00 4.38 0.00 2.21 2.16 0.00 3.56 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 13 F 6.94 4.97 0.00 3.04 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 14 S 8.52 4.55 0.00 3.84 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 4.50 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 0.87 0.00 0.00 0.86 0.00 0.00 16 E 8.12 3.97 0.00 1.84 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 2.29 0.00 17 N 7.86 4.93 0.00 2.78 2.66 0.00 0.00 6.91 7.28 0.00 0.00 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 K 8.39 3.74 0.00 1.51 1.72 0.00 0.83 0.00 0.00 1.10 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.74 0.21 7.81 19 W 7.81 4.48 0.00 3.63 3.29 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 20 R 8.69 3.98 0.00 2.06 1.96 0.00 3.30 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 21 L 8.19 3.94 0.00 1.86 1.67 1.08 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.89 3.94 0.00 1.98 2.01 0.98 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.19 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 M 8.24 3.98 0.00 1.92 2.22 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.95 0.00 25 M 8.33 4.08 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.43 0.00 26 T 8.09 4.04 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 27 L 8.06 4.01 0.00 1.89 1.74 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.54 4.04 0.00 2.93 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.84 4.31 0.00 3.35 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.41 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.52 4.26 0.00 3.96 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.54 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.25 4.35 0.00 3.22 3.24 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 0.00 0.00 0.00 0.00 34 A 8.57 4.48 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.09 0.00 1.58 1.81 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.04 0.00 37 F 7.92 3.94 0.00 3.26 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 38 F 8.52 4.04 0.00 3.24 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.97 3.82 1.97 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 1.41 0.80 0.91 0.00 0.00 40 V 7.94 3.52 2.17 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 0.95 0.00 0.00 0.82 0.00 0.00 41 R 8.05 3.82 0.00 1.77 2.04 0.00 2.99 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 42 H 8.22 4.13 0.00 3.24 3.52 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.33 4.07 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 44 L 8.16 4.12 0.00 1.80 1.69 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.72 3.87 0.00 1.74 1.70 0.94 0.76 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 46 K 7.54 4.12 0.00 1.84 1.81 0.00 1.51 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.44 7.81 47 K 7.04 3.94 0.00 1.78 1.70 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.20 1.10 7.81