NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4368 8.1576 122.0559 56.3687 34.1065 174.1483 2 S 4.8702 8.5711 119.3937 57.3765 64.7933 173.2809 3 C 5.0456 9.8791 120.8589 55.8231 38.1019 173.3507 4 C 5.2790 9.2656 122.0709 54.1098 42.9509 173.9895 5 P 4.5212 0.0000 0.0000 65.6582 31.2684 176.3140 6 N 4.9977 7.6626 114.7044 50.3534 41.4135 175.1545 7 T 3.8775 8.4554 116.9106 67.1911 68.4828 176.9750 8 T 3.9870 8.0549 117.2859 66.4811 68.4270 176.8691 9 G 3.5843 8.6426 107.8706 47.7235 0.0000 175.5789 10 R 4.0490 8.2045 121.4591 59.4040 29.9254 178.3785 11 N 4.3448 8.4025 116.2972 56.3247 38.5044 177.3366 12 I 3.6811 7.8877 120.0246 64.1479 38.1335 176.9532 13 Y 4.3065 8.4052 120.8759 61.2200 38.4500 178.2216 14 N 4.1732 8.5865 117.0750 56.0690 38.6424 177.3229 15 A 3.9416 8.1787 122.4695 55.1351 18.4675 178.7089 16 C 4.2013 8.2845 118.5135 59.3285 44.5761 175.8903 17 R 3.9319 7.7164 119.3908 59.4652 29.4457 179.0534 18 L 4.0491 7.8968 117.7238 57.6500 41.7998 178.6374 19 T 4.3865 8.0836 109.0650 61.7812 69.3212 175.4977 20 G 3.8276 7.7393 107.0824 47.2521 0.0000 174.0882 21 A 4.5778 7.4613 121.3486 49.6862 20.5711 177.1391 22 P 4.5082 0.0000 0.0000 62.2407 33.6868 177.5039 23 R 3.9362 8.6330 118.8069 59.3410 30.0804 177.2760 24 P 4.2770 0.0000 0.0000 66.3451 31.1969 178.3879 25 T 3.8523 7.8732 115.1683 66.5434 68.4193 177.1942 26 C 4.3727 8.3330 118.1762 59.9521 41.4062 175.9697 27 A 3.7450 8.7510 122.8929 54.8931 17.7239 179.4361 28 K 4.0723 7.8294 115.2968 58.1543 32.5558 178.6992 29 L 4.1109 7.9594 120.8080 58.1130 42.0634 178.6850 30 S 4.4279 8.2460 113.0386 58.9111 63.4122 175.4210 31 G 3.7572 8.0252 108.6598 45.4680 0.0000 172.4623 32 C 4.6073 7.6350 117.7553 56.3923 42.9777 171.9889 33 K 4.3510 8.1798 118.0450 56.6051 35.9861 174.4418 34 I 5.0763 8.1453 120.2942 59.4624 40.1815 175.1715 35 I 4.5690 8.2870 119.3091 58.9184 40.1305 176.0703 36 S 4.2437 8.8147 118.5064 61.2891 62.9534 175.9815 37 G 3.8289 7.8855 107.7242 45.5908 0.0000 173.5737 38 S 4.2552 8.8121 118.5959 60.6547 63.1655 174.9668 39 T 4.5994 7.5626 108.7847 59.7274 70.4825 174.8033 40 C 4.6093 8.5475 122.4562 55.5134 36.5135 171.3629 41 P 4.5734 0.0000 0.0000 62.3936 31.6205 177.5515 42 S 4.2107 8.3907 114.2898 60.9657 62.9715 175.7538 43 D 4.0885 7.9548 119.5025 56.7251 41.5099 175.9320 44 Y 5.1205 7.2716 113.3371 56.1917 38.1370 173.9838 45 P 4.4047 0.0000 0.0000 65.3184 32.7640 177.3864 46 K 4.1804 7.9995 122.8993 56.5727 31.9195 176.5394 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 K 8.16 4.44 0.00 1.87 1.88 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.46 7.81 2 S 8.57 4.87 0.00 4.11 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 3 C 9.88 5.05 0.00 2.90 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.27 5.28 0.00 2.88 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 5 P 0.00 4.52 0.00 2.25 2.40 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 6 N 7.66 5.00 0.00 2.98 2.94 0.00 0.00 6.26 7.25 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 7 T 8.46 3.88 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 1.23 0.00 0.00 8 T 8.05 3.99 4.38 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 1.23 0.00 0.00 9 G 8.64 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 4.05 0.00 1.98 2.21 0.00 3.26 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 11 N 8.40 4.34 0.00 2.97 2.87 0.00 0.00 6.69 8.13 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 12 I 7.89 3.68 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.91 1.04 0.00 0.00 13 Y 8.41 4.31 0.00 3.05 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 14 N 8.59 4.17 0.00 3.01 2.82 0.00 0.00 7.01 8.59 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 15 A 8.18 3.94 1.38 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 16 C 8.28 4.20 0.00 3.08 3.27 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 17 R 7.72 3.93 0.00 1.81 1.78 0.00 2.92 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.08 0.00 18 L 7.90 4.05 0.00 1.72 1.71 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.08 4.39 4.23 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 1.24 0.00 0.00 20 G 7.74 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 21 A 7.46 4.58 1.28 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 0.00 0.00 0.00 22 P 0.00 4.51 0.00 2.28 2.18 0.00 3.73 0.00 0.00 3.76 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 R 8.63 3.94 0.00 1.91 2.14 0.00 3.15 0.00 0.00 3.43 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 24 P 0.00 4.28 0.00 2.27 2.32 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 25 T 7.87 3.85 4.38 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 1.22 0.00 0.00 26 C 8.33 4.37 0.00 3.22 3.22 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 0.00 27 A 8.75 3.75 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 28 K 7.83 4.07 0.00 1.77 1.86 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.62 1.56 7.81 29 L 7.96 4.11 0.00 1.72 1.93 0.93 0.90 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 30 S 8.25 4.43 0.00 4.19 4.08 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 31 G 8.03 3.76 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 0.00 0.00 0.00 32 C 7.64 4.61 0.00 1.99 2.50 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 33 K 8.18 4.35 0.00 1.63 1.64 0.00 0.61 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.18 1.21 7.81 34 I 8.15 5.08 1.87 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 1.40 1.01 0.93 0.00 0.00 35 I 8.29 4.57 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 1.38 0.91 0.91 0.00 0.00 36 S 8.81 4.24 0.00 3.89 3.97 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 37 G 7.89 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 38 S 8.81 4.26 0.00 3.88 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.56 4.60 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 1.22 0.00 0.00 40 C 8.55 4.61 0.00 3.04 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 41 P 0.00 4.57 0.00 2.17 2.20 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 42 S 8.39 4.21 0.00 3.82 3.92 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 43 D 7.95 4.09 0.00 2.25 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 0.00 0.00 0.00 44 Y 7.27 5.12 0.00 3.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.40 0.00 2.18 2.18 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 46 K 8.00 4.18 0.00 2.08 1.78 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.45 7.81