NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6936 8.2893 118.2130 55.1223 32.3155 174.3877 2 V 4.3375 7.3596 117.4763 58.8286 34.8671 174.0793 3 Y 4.2147 8.3056 119.7574 54.2478 42.4304 176.1439 4 D 4.3746 9.0308 127.7759 54.5113 40.4639 178.2533 5 K 3.8034 9.4038 128.6231 60.4653 32.5052 176.9502 6 I 3.6819 7.8013 117.7468 64.2036 37.8845 177.6745 7 A 3.9776 7.6730 120.1003 55.7530 17.7062 178.7641 8 A 3.6175 8.4766 118.1556 56.0237 18.4829 179.1730 9 Q 3.9527 8.5343 114.3685 57.3192 29.5168 178.4781 10 G 3.7739 7.6714 109.1110 48.1529 0.0000 175.5397 11 E 4.0434 8.5578 120.9972 58.4264 29.5488 178.9870 12 V 3.5156 7.1549 119.2824 66.2773 31.5330 178.2665 13 V 3.6118 7.6515 117.0824 65.9233 31.5028 177.9513 14 R 3.9377 7.8357 117.6786 59.3626 29.9110 178.9523 15 K 3.9889 8.6921 119.5134 59.2836 32.2878 178.7570 16 L 3.9535 7.9519 119.5584 57.8166 41.4269 179.6522 17 K 3.9744 8.4809 117.6108 59.8571 32.3769 178.7341 18 A 4.1458 7.5739 120.8358 55.0031 18.4705 178.6392 19 E 4.4623 8.2529 114.0084 55.1649 29.8300 173.4032 20 K 3.7222 7.9036 124.9339 55.9509 29.5905 174.7556 21 A 4.7576 7.9229 125.3784 48.6419 22.8762 173.7917 22 P 4.5224 0.0000 0.0000 62.6935 33.4737 177.5870 23 K 3.9745 8.6284 119.4624 59.4937 32.1666 179.2362 24 A 4.0463 8.0834 120.7060 55.2646 18.1036 179.7235 25 K 3.9357 7.8991 116.1411 59.3101 32.3897 179.3259 26 V 3.5630 7.5736 118.2432 66.5720 31.3909 178.0561 27 T 3.8261 8.3730 112.9307 64.9296 67.2361 175.6932 28 E 3.9408 8.0430 120.2074 59.6210 29.5179 179.3636 29 A 4.7840 8.1660 121.8791 54.8100 18.4309 179.4659 30 V 3.5615 7.8745 116.8650 66.4693 31.3247 178.2112 31 E 3.9308 8.3931 117.8516 59.8532 29.4651 179.0423 32 C 3.7822 8.0031 116.3023 62.7514 28.0903 176.5266 33 L 3.9881 8.2587 121.0648 57.8036 41.1877 179.2504 34 L 4.0179 7.9113 120.2490 58.1634 42.1218 179.1416 35 S 4.0935 8.9267 115.8706 61.5253 62.8551 176.2601 36 L 4.0130 8.3429 123.5241 58.0998 41.7983 178.9697 37 K 4.0531 8.2405 118.5122 60.2771 32.0857 178.7488 38 A 4.0260 7.6976 120.6626 54.9835 18.3412 179.1968 39 E 4.1129 7.9431 116.0088 59.2383 29.7194 178.2897 40 Y 3.9784 9.1464 117.0538 57.5535 39.2143 176.4923 41 K 3.7598 8.7302 120.2599 57.4383 30.9344 174.5124 42 E 3.9224 5.9000 121.3820 56.4742 30.4280 178.2613 43 K 4.4035 6.7687 117.2407 56.6426 32.9760 175.7259 44 T 4.5665 7.9603 114.9573 64.9838 71.6073 175.3515 45 G 3.5040 8.4451 110.3754 44.2905 0.0000 170.3644 46 K 3.5174 8.7297 123.5548 56.6284 29.9465 175.1282 47 E 4.4576 8.6783 124.5812 56.0339 26.3186 174.2542 48 Y 3.4638 7.9623 118.3156 57.6647 39.8864 176.0467 49 V 4.4333 6.7980 124.9995 59.9685 31.1206 173.8943 50 P 4.5099 0.0000 0.0000 63.1180 32.1771 176.5061 51 G 4.0198 7.5795 115.1083 45.3296 0.0000 173.6536 52 L 4.1448 6.8689 121.2673 51.8257 42.5465 176.4775 53 E 4.3592 8.9555 116.9111 57.7564 28.9890 173.6403 54 H 3.9850 8.3727 109.0308 56.5623 27.0167 174.0658 55 H 4.4676 7.6280 118.5709 56.2308 30.9405 174.4342 56 H 4.3743 8.3525 121.9048 55.9275 28.7794 174.8113 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 M 8.29 4.69 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 2 V 7.36 4.34 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.76 0.00 0.00 3 Y 8.31 4.21 0.00 2.24 1.43 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 4 D 9.03 4.37 0.00 2.67 2.21 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.40 3.80 0.00 1.80 1.91 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.54 7.81 6 I 7.80 3.68 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.92 0.00 0.00 7 A 7.67 3.98 0.43 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 0.00 0.00 8 A 8.48 3.62 1.26 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 9 Q 8.53 3.95 0.00 2.33 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 10 G 7.67 3.77 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 0.00 0.00 0.00 11 E 8.56 4.04 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.28 0.00 12 V 7.15 3.52 2.25 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 0.93 0.00 0.00 1.00 0.00 0.00 13 V 7.65 3.61 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 0.83 0.00 0.00 0.99 0.00 0.00 14 R 7.84 3.94 0.00 2.09 1.98 0.00 3.19 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 15 K 8.69 3.99 0.00 1.87 1.90 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.47 7.81 16 L 7.95 3.95 0.00 2.01 1.70 0.99 0.39 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 K 8.48 3.97 0.00 1.83 1.95 0.00 1.50 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.73 7.81 18 A 7.57 4.15 1.43 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 0.00 0.00 19 E 8.25 4.46 0.00 1.91 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 2.46 0.00 20 K 7.90 3.72 0.00 1.96 1.95 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.37 7.81 21 A 7.92 4.76 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.52 0.00 2.27 2.18 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 23 K 8.63 3.97 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.50 7.81 24 A 8.08 4.05 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 25 K 7.90 3.94 0.00 1.99 1.86 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.55 7.81 26 V 7.57 3.56 2.22 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 1.07 0.00 0.00 0.97 0.00 0.00 27 T 8.37 3.83 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 1.30 0.00 0.00 28 E 8.04 3.94 0.00 2.25 2.01 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 2.34 2.51 0.00 29 A 8.17 4.78 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.56 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.97 0.00 0.00 31 E 8.39 3.93 0.00 2.28 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 2.37 2.61 0.00 32 C 8.00 3.78 0.00 3.11 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 33 L 8.26 3.99 0.00 1.87 1.76 0.98 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.91 4.02 0.00 1.77 1.69 0.93 0.99 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 35 S 8.93 4.09 0.00 3.92 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 36 L 8.34 4.01 0.00 1.84 1.70 1.01 0.70 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 37 K 8.24 4.05 0.00 2.29 2.29 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.51 7.81 38 A 7.70 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.94 4.11 0.00 2.22 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 2.67 2.50 0.00 40 Y 9.15 3.98 0.00 2.94 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 41 K 8.73 3.76 0.00 1.82 1.87 0.00 1.95 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.41 7.81 42 E 5.90 3.92 0.00 1.38 1.70 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 2.15 1.94 0.00 43 K 6.77 4.40 0.00 1.79 1.77 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.19 1.38 7.81 44 T 7.96 4.57 4.77 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 1.48 0.00 0.00 45 G 8.45 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.73 3.52 0.00 1.90 1.87 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.36 7.81 47 E 8.68 4.46 0.00 2.12 2.02 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 2.25 2.26 0.00 48 Y 7.96 3.46 0.00 2.77 2.67 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 49 V 6.80 4.43 1.74 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 1.12 0.00 0.00 0.73 0.00 0.00 50 P 0.00 4.51 0.00 2.35 2.32 0.00 3.98 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 51 G 7.58 4.02 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 0.00 0.00 0.00 52 L 6.87 4.14 0.00 1.74 1.59 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.96 4.36 0.00 2.15 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 2.31 2.30 0.00 54 H 8.37 3.98 0.00 3.37 3.42 0.00 5.78 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 H 7.63 4.47 0.00 3.27 3.19 0.00 5.98 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 56 H 8.35 4.37 0.00 3.10 3.14 0.00 5.78 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