NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3445 8.2649 123.5869 51.7306 20.2475 177.3621 3 R 3.8457 7.9734 120.8235 56.0800 31.0471 176.2179 4 K 3.7533 9.4568 126.3539 59.6661 33.2139 177.6328 5 A 3.9746 8.1705 119.7434 55.3426 18.1870 177.8010 6 L 4.5800 8.7798 114.5232 55.2701 41.4538 177.1187 7 I 4.4800 7.8004 119.3752 61.1539 37.3615 176.5654 8 E 4.1938 8.0887 119.1579 57.2623 30.4035 177.9073 9 K 3.1525 8.0893 120.7557 59.7176 31.6182 177.3591 10 A 4.0928 7.8944 118.7671 53.7903 18.6917 178.7347 11 K 3.8579 8.9990 118.6341 57.2721 31.7860 177.5956 12 R 3.7393 7.5873 116.1204 56.8779 29.2198 176.6903 13 T 4.3871 7.2924 109.4921 62.8046 70.5545 171.5703 14 P 4.3932 0.0000 0.0000 62.2339 32.3032 177.5478 15 K 4.5880 7.3676 129.6788 55.7672 33.9121 174.3458 16 F 4.9387 7.7961 114.7984 56.5258 42.5866 173.5164 17 K 3.8239 8.8569 124.3660 59.8767 32.0612 177.7966 18 V 3.9959 7.6302 118.7600 62.0707 30.8158 176.1413 19 R 5.4609 8.0877 133.5335 56.7087 32.2919 174.4372 20 A 4.4475 7.8557 121.4212 51.3991 19.0796 177.8900 21 Y 4.2189 8.5372 118.4612 58.9047 38.2129 176.3412 22 T 4.1853 8.5250 114.8721 60.8630 70.0212 174.0775 23 R 4.6957 8.0807 122.7712 53.9179 33.3196 174.9319 24 C 4.3839 8.4107 119.3417 59.5192 32.0665 173.5407 25 V 3.9533 7.7738 124.9698 63.2599 31.7914 176.8870 26 R 4.3725 7.9405 118.2452 56.2283 29.6491 175.5171 27 C 4.7356 7.2583 110.2754 56.3269 35.5902 172.0527 28 G 3.3812 7.8025 115.2542 44.5594 0.0000 173.8125 29 R 4.4215 7.6355 126.4200 56.8464 30.4513 177.7904 30 A 5.6137 8.0566 135.0000 53.8956 21.0268 177.6590 31 R 4.6518 7.9037 115.2296 58.5828 31.6676 175.5521 32 S 4.7235 7.9180 106.4561 59.0847 65.0396 175.1223 33 V 4.5826 8.0278 114.2621 62.4219 31.7495 176.0347 34 Y 4.4466 8.5823 123.2998 57.6690 39.9882 173.3629 35 R 4.5386 8.9028 114.1572 58.2985 32.7610 177.8303 36 F 4.0963 8.5418 119.8033 60.5555 39.8345 175.6416 37 F 4.7042 8.3154 115.7262 56.2368 40.7672 175.4946 38 G 4.2591 8.5478 108.3227 46.1921 0.0000 173.0693 39 L 4.8715 7.6952 121.6474 54.2252 41.2997 174.2227 40 C 5.1381 8.0345 117.7325 57.0042 32.4633 174.5843 41 R 3.6763 8.0435 114.0623 58.8188 28.9682 178.0260 42 I 3.9313 7.4968 120.5978 63.5937 37.5575 177.1581 43 C 4.1445 7.8875 118.0063 62.4110 28.0940 175.8021 44 L 3.7626 7.5135 121.1115 57.9999 41.3312 178.6707 45 R 3.6678 7.2295 117.4371 60.3503 29.8158 177.5560 46 E 4.0246 8.9159 118.3571 59.4933 29.2529 179.0670 47 L 4.0174 8.5393 118.5892 58.2065 41.7632 179.5990 48 A 4.0333 8.3051 120.0386 55.4955 18.2067 179.2950 49 H 4.3736 8.1782 114.3184 59.0946 28.9745 177.6268 50 K 4.1139 8.0397 118.5364 59.2286 32.2346 177.8141 51 G 4.1714 7.8769 104.9122 45.6317 0.0000 174.4577 52 Q 4.2978 7.9112 117.0470 55.8783 28.3412 176.7903 53 L 4.6177 7.8349 119.8967 52.1963 43.6164 173.9374 54 P 4.2789 0.0000 0.0000 63.9965 31.7637 177.9168 55 G 4.0997 8.8901 109.2708 46.0867 0.0000 174.4583 56 V 3.8718 7.2399 118.7430 62.5114 29.6958 175.7561 57 R 4.3070 7.8740 125.8749 54.7545 32.3454 175.0356 58 K 4.3232 8.3725 117.9077 54.4577 32.4745 176.0159 59 A 4.2413 8.6237 128.2468 52.3811 18.5273 176.6939 60 S 4.7959 8.4728 117.0670 56.5816 66.2035 174.1647 61 W 4.0433 8.3264 119.2616 57.5279 27.2180 174.1124 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 A 8.26 4.34 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 7.97 3.85 0.00 2.04 1.90 0.00 3.24 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 4 K 9.46 3.75 0.00 1.79 1.86 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.50 7.81 5 A 8.17 3.97 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 6 L 8.78 4.58 0.00 1.79 1.82 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.80 4.48 1.95 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 1.38 0.71 0.91 0.00 0.00 8 E 8.09 4.19 0.00 2.12 2.43 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 2.35 2.26 0.00 9 K 8.09 3.15 0.00 1.09 1.59 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.18 1.31 7.81 10 A 7.89 4.09 1.27 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 0.00 0.00 11 K 9.00 3.86 0.00 1.67 2.02 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.64 7.81 12 R 7.59 3.74 0.00 2.05 1.94 0.00 3.45 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 13 T 7.29 4.39 4.28 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 0.00 0.00 0.00 1.18 0.00 0.00 14 P 0.00 4.39 0.00 2.25 2.13 0.00 3.86 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.01 0.00 15 K 7.37 4.59 0.00 1.63 1.69 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.90 7.81 16 F 7.80 4.94 0.00 3.08 2.83 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 17 K 8.86 3.82 0.00 1.76 1.90 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.59 7.81 18 V 7.63 4.00 2.10 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 0.79 0.00 0.00 0.91 0.00 0.00 19 R 8.09 5.46 0.00 2.00 2.13 0.00 3.55 0.00 0.00 3.41 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 20 A 7.86 4.45 1.27 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 0.00 0.00 21 Y 8.54 4.22 0.00 3.14 2.98 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 22 T 8.52 4.19 4.27 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 1.29 0.00 0.00 23 R 8.08 4.70 0.00 1.79 1.97 0.00 3.21 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 24 C 8.41 4.38 0.00 2.96 2.94 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 0.00 0.00 0.00 25 V 7.77 3.95 2.10 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 0.75 0.00 0.00 0.94 0.00 0.00 26 R 7.94 4.37 0.00 1.82 1.98 0.00 3.25 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 27 C 7.26 4.74 0.00 3.07 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 28 G 7.80 3.38 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 0.00 29 R 7.64 4.42 0.00 1.85 1.83 0.00 3.34 0.00 0.00 3.24 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 30 A 8.06 5.61 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 31 R 7.90 4.65 0.00 1.76 1.87 0.00 3.29 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 32 S 7.92 4.72 0.00 3.95 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 4.58 2.18 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 1.00 0.00 0.00 1.10 0.00 0.00 34 Y 8.58 4.45 0.00 2.81 3.08 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 0.00 0.00 0.00 35 R 8.90 4.54 0.00 1.93 1.96 0.00 3.17 0.00 0.00 3.30 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 36 F 8.54 4.10 0.00 3.16 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.32 4.70 0.00 3.22 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.55 4.26 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 0.00 0.00 0.00 39 L 7.70 4.87 0.00 1.83 1.47 1.15 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.03 5.14 0.00 3.04 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 41 R 8.04 3.68 0.00 2.01 2.19 0.00 2.73 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 42 I 7.50 3.93 1.85 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 1.62 0.78 0.90 0.00 0.00 43 C 7.89 4.14 0.00 2.93 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.51 3.76 0.00 1.42 1.46 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.23 3.67 0.00 1.89 2.10 0.00 3.31 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 46 E 8.92 4.02 0.00 2.14 1.92 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 2.35 2.55 0.00 47 L 8.54 4.02 0.00 1.72 1.78 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.31 4.03 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.18 4.37 0.00 3.28 3.34 0.00 5.68 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 50 K 8.04 4.11 0.00 1.88 1.91 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.55 7.81 51 G 7.88 4.17 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 0.00 0.00 0.00 52 Q 7.91 4.30 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 53 L 7.83 4.62 0.00 1.72 1.81 1.25 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.28 0.00 2.24 2.21 0.00 3.77 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 2.09 1.98 0.00 55 G 8.89 4.10 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 0.00 0.00 0.00 56 V 7.24 3.87 2.32 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 0.75 0.00 0.00 1.21 0.00 0.00 57 R 7.87 4.31 0.00 1.83 1.87 0.00 3.46 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 58 K 8.37 4.32 0.00 1.80 1.79 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 59 A 8.62 4.24 1.51 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 60 S 8.47 4.80 0.00 3.99 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 61 W 8.33 4.04 0.00 3.38 3.15 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