NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3445 8.0433 120.6287 54.4772 42.9111 181.1570 2 C 4.3547 8.0260 132.1529 59.8344 40.0708 173.7074 3 S 3.8715 8.1609 114.6668 59.6208 63.9724 173.3410 4 L 4.3017 8.4487 123.6062 53.6545 41.7410 175.5832 5 D 4.3602 9.3929 128.9604 55.5756 39.8220 172.9946 6 N 4.4460 8.2723 109.2875 53.3745 37.6439 174.1855 7 G 4.0488 9.1302 101.3554 45.8068 0.0000 174.3965 8 D 4.4696 8.2383 115.4628 54.7036 40.2143 173.2569 9 C 4.6503 7.9326 114.2559 56.1323 41.1760 173.8481 10 D 4.5331 8.5708 122.9487 57.0827 42.0824 177.3548 11 Q 4.4338 7.4337 112.0018 55.6050 30.6908 179.4942 12 F 4.6723 6.4950 126.2560 58.7769 40.2785 172.6140 13 C 5.4649 8.8069 121.4865 55.3549 41.3335 172.5385 14 H 4.9990 10.0006 123.1896 54.1089 32.9671 172.7128 15 E 5.3060 8.6140 118.2497 53.6861 31.0268 174.5187 16 E 4.3146 8.7118 123.3346 55.8286 30.5007 176.7571 17 Q 3.2490 9.4400 124.4446 56.8767 26.3684 173.5615 18 N 4.1258 8.7323 116.1538 53.4666 39.7454 170.2860 19 S 4.1797 8.7864 118.6966 57.4151 63.9935 169.2777 20 V 4.1684 8.2090 126.4229 63.1804 32.3019 175.2682 21 V 4.4402 9.3067 126.8028 61.5582 34.3858 173.4891 22 C 5.4537 8.9663 125.2278 55.7326 41.9351 172.7850 23 S 4.8664 8.8616 115.2991 57.3517 66.8552 171.7006 24 C 4.7612 8.5731 115.6225 54.6611 38.6945 174.1519 25 A 4.5577 8.5725 124.3072 51.5319 18.8070 177.5257 26 R 4.1460 8.3907 118.8727 58.0203 30.5865 177.7806 27 G 4.0323 9.4095 109.7424 45.0843 0.0000 172.2135 28 Y 5.2545 7.6360 116.0080 56.1784 41.7513 175.0435 29 T 4.7570 8.7533 111.5397 59.5585 72.0397 173.0782 30 L 4.5969 8.5495 126.0480 55.0122 43.0291 176.4185 31 A 4.3040 9.1392 128.2692 51.4907 19.4544 178.1692 32 D 4.3610 8.7978 119.0180 57.6038 40.8755 178.0070 33 N 4.4710 8.1997 113.4717 52.8618 37.5558 175.0615 34 G 4.0336 8.3708 107.2367 46.8093 0.0000 174.4052 35 K 4.4874 8.7004 117.9409 57.5533 35.4199 176.9744 36 A 4.8123 8.2571 120.9155 52.0398 19.9494 176.6974 37 C 5.2953 9.0703 118.0429 55.3151 42.4130 173.5718 38 I 4.5398 8.8623 125.7574 58.8437 38.5898 173.7451 39 P 3.9736 0.0000 0.0000 63.4388 31.2293 176.4488 40 T 4.2291 8.4602 119.5390 64.3765 68.6139 174.4510 41 G 4.1814 7.4274 108.5254 42.8943 0.0000 171.1043 42 P 4.1033 0.0000 0.0000 64.8028 31.6898 176.8266 43 Y 4.6972 6.9029 114.6239 55.2519 37.8700 173.2522 44 P 4.3021 0.0000 0.0000 61.9943 32.6684 176.9132 45 C 4.1836 8.4719 115.1603 59.7369 29.9636 174.4003 46 G 3.9641 8.8717 108.7643 45.6603 0.0000 173.2664 47 K 4.5687 7.4474 118.5599 54.2085 33.5995 176.5600 48 Q 4.1972 8.6348 123.2538 56.1583 29.3579 175.8846 49 T 4.5538 8.3036 111.3998 60.8255 70.1468 174.4593 50 L 4.7765 8.1554 123.3696 55.4888 41.3730 175.9436 51 E 4.0822 8.4123 125.3072 57.1569 29.4795 176.7393 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 8.04 4.34 0.00 1.92 0.92 0.92 0.70 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 2 C 8.03 4.35 0.00 3.12 3.13 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 3 S 8.16 3.87 0.00 3.86 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 4 L 8.45 4.30 0.00 1.66 1.78 0.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 5 D 9.39 4.36 0.00 2.87 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.27 4.45 0.00 2.98 2.79 0.00 0.00 7.56 7.90 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 7 G 9.13 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.24 4.47 0.00 2.81 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 9 C 7.93 4.65 0.00 3.07 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.57 4.53 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.43 4.43 0.00 1.50 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.95 0.00 0.00 0.00 0.00 0.00 1.85 1.96 0.00 12 F 6.50 4.67 0.00 3.05 2.86 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 13 C 8.81 5.46 0.00 3.04 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 H 10.00 5.00 0.00 3.19 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.61 5.31 0.00 1.81 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 2.20 2.14 0.00 16 E 8.71 4.31 0.00 1.96 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 0.00 2.27 2.32 0.00 17 Q 9.44 3.25 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.09 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 18 N 8.73 4.13 0.00 2.85 2.83 0.00 0.00 7.26 7.63 0.00 0.00 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 S 8.79 4.18 0.00 4.06 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 20 V 8.21 4.17 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 0.81 0.00 0.00 0.94 0.00 0.00 21 V 9.31 4.44 2.13 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 0.94 0.00 0.00 1.00 0.00 0.00 22 C 8.97 5.45 0.00 3.02 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 23 S 8.86 4.87 0.00 4.05 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 24 C 8.57 4.76 0.00 2.81 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 25 A 8.57 4.56 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 26 R 8.39 4.15 0.00 1.90 1.95 0.00 3.22 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 27 G 9.41 4.03 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 0.00 0.00 0.00 28 Y 7.64 5.25 0.00 2.82 2.81 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 29 T 8.75 4.76 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 1.22 0.00 0.00 30 L 8.55 4.60 0.00 1.68 1.63 1.01 1.09 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 31 A 9.14 4.30 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.80 4.36 0.00 2.68 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.20 4.47 0.00 2.81 2.93 0.00 0.00 5.97 7.00 0.00 0.00 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 G 8.37 4.03 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 0.00 0.00 0.00 35 K 8.70 4.49 0.00 1.77 1.93 0.00 1.66 0.00 0.00 1.92 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.56 7.81 36 A 8.26 4.81 1.24 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 0.00 0.00 37 C 9.07 5.30 0.00 2.64 2.86 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 38 I 8.86 4.54 1.90 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 1.26 1.07 0.90 0.00 0.00 39 P 0.00 3.97 0.00 1.77 1.66 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 40 T 8.46 4.23 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 1.17 0.00 0.00 41 G 7.43 4.18 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 0.00 0.00 0.00 42 P 0.00 4.10 0.00 1.71 1.82 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 43 Y 6.90 4.70 0.00 3.05 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 44 P 0.00 4.30 0.00 1.68 1.64 0.00 3.59 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.78 0.00 45 C 8.47 4.18 0.00 3.20 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 46 G 8.87 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.45 4.57 0.00 1.95 1.78 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.60 7.81 48 Q 8.63 4.20 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 49 T 8.30 4.55 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 50 L 8.16 4.78 0.00 1.71 1.73 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.41 4.08 0.00 2.17 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 2.38 2.51 0.00