NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.3164 8.3449 119.6892 55.3509 30.9666 175.3318 5 L 4.5107 7.6873 116.8962 51.7570 43.0097 175.4974 6 S 4.5746 9.7528 119.9701 57.5698 66.6031 174.8044 7 D 4.3878 8.6441 122.6369 57.7396 40.6280 179.1124 8 E 4.0543 8.1284 117.5050 59.4671 29.7049 179.1016 9 Q 4.0626 7.9516 118.6061 58.5311 28.7107 178.6005 10 K 4.2931 8.4938 120.0482 59.3693 32.0686 178.9742 11 E 3.9708 8.3014 119.5802 59.6156 29.5622 178.9189 12 T 3.8613 7.8062 115.4344 66.7971 68.5666 176.6377 13 I 3.5662 7.7316 121.5512 64.2704 37.0440 178.2712 14 L 4.0443 8.2843 121.3843 57.9807 41.8499 178.9440 15 K 3.9221 8.5913 119.8452 59.3957 32.1844 178.5888 16 A 3.9913 8.3474 121.4647 55.1526 18.3105 179.6398 17 L 3.9104 7.9598 117.3384 58.1275 41.7371 179.5460 18 N 4.4079 8.3500 116.4639 56.4504 38.4079 177.2962 19 D 4.3820 8.6260 120.5685 57.2019 40.8869 178.6455 20 A 4.1194 8.2232 121.3820 55.2598 18.1750 179.7957 21 I 3.9815 7.7746 117.3873 64.5852 37.2643 178.0341 22 E 4.1518 8.3450 119.4574 58.7061 29.6546 178.2039 23 K 4.3534 8.1520 116.5584 56.7345 33.5480 177.2990 24 G 2.8583 7.3027 109.3763 44.6555 0.0000 170.8607 25 P 4.3395 0.0000 0.0000 62.4644 32.0497 177.6293 26 W 4.9187 7.0490 117.4965 59.6855 29.1182 177.1146 27 D 4.9268 7.8283 116.6253 53.9561 41.3659 176.6581 28 K 4.2326 8.1193 119.5966 57.8030 32.7391 177.1845 29 S 4.6320 7.3968 112.1001 56.4820 66.4038 175.9680 30 N 4.4090 8.5639 120.0479 56.3301 38.2358 177.5698 31 F 4.2826 8.2172 121.5983 61.4884 39.7273 177.2254 32 L 3.9798 8.1833 118.3359 57.3881 41.2835 179.5745 33 R 4.7846 7.9802 120.5733 58.8563 30.1294 178.6104 34 V 3.5111 7.4650 117.5887 66.0888 31.4976 178.0530 35 I 3.5325 7.4440 119.6186 64.0784 36.8245 178.4938 36 G 3.0186 8.2534 106.8971 47.7344 0.0000 175.8566 37 K 3.8848 8.0096 121.2003 58.7956 31.9896 179.4350 38 K 3.8268 7.6619 119.8206 59.2153 32.0703 178.6900 39 L 3.7507 7.6606 120.7583 58.0449 41.8337 179.0200 40 I 3.6159 7.7270 119.6469 64.2944 37.0380 178.2485 41 A 3.9560 8.0963 121.6783 55.1460 18.2564 179.7917 42 I 3.6473 7.6542 118.3654 64.4095 37.1786 178.6099 43 R 3.9304 8.0714 119.5438 59.6497 29.9582 178.2961 44 D 4.3956 8.4057 118.9886 57.3449 40.7718 178.7835 45 R 3.8942 8.1850 119.2849 59.3843 30.0825 178.3792 46 F 4.2380 8.2619 120.2720 61.1320 39.2739 177.0629 47 L 3.8200 8.0674 118.7092 57.7626 41.3809 179.6763 48 K 3.9157 7.9540 118.2853 59.4519 31.7365 179.4863 49 R 3.9034 7.7645 117.6278 59.0517 30.0651 178.2236 50 I 4.0072 6.9679 109.6454 60.9850 38.1382 176.4707 51 G 3.9020 8.2711 109.5257 45.4003 0.0000 175.5212 52 A 4.0007 8.0531 123.5062 53.9171 18.5950 178.1228 53 A 4.3009 7.3735 121.9706 52.3331 19.2136 175.7539 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 4 Q 8.34 4.32 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 5 L 7.69 4.51 0.00 1.76 1.66 1.10 0.61 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 6 S 9.75 4.57 0.00 4.20 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.64 4.39 0.00 2.75 2.78 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 0.00 0.00 0.00 8 E 8.13 4.05 0.00 2.17 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 0.00 2.37 2.35 0.00 9 Q 7.95 4.06 0.00 2.43 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 10 K 8.49 4.29 0.00 2.01 1.94 0.00 1.67 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.67 7.81 11 E 8.30 3.97 0.00 2.13 2.15 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 2.33 2.42 0.00 12 T 7.81 3.86 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 1.21 0.00 0.00 13 I 7.73 3.57 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.93 0.09 0.00 0.00 14 L 8.28 4.04 0.00 2.11 1.98 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.59 3.92 0.00 2.05 1.87 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.61 7.81 16 A 8.35 3.99 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 17 L 7.96 3.91 0.00 1.86 1.70 0.74 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.35 4.41 0.00 2.94 2.89 0.00 0.00 7.10 7.61 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 19 D 8.63 4.38 0.00 2.86 2.74 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 0.00 0.00 0.00 0.00 20 A 8.22 4.12 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.77 3.98 2.09 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 1.31 0.70 0.99 0.00 0.00 22 E 8.34 4.15 0.00 2.06 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 2.34 2.34 0.00 23 K 8.15 4.35 0.00 1.90 1.90 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.66 1.41 7.81 24 G 7.30 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 0.00 0.00 0.00 25 P 0.00 4.34 0.00 2.00 1.97 0.00 2.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 26 W 7.05 4.92 0.00 3.39 3.16 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 0.00 0.00 0.00 0.00 27 D 7.83 4.93 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.23 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.43 7.81 29 S 7.40 4.63 0.00 4.07 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 30 N 8.56 4.41 0.00 2.84 2.98 0.00 0.00 6.45 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 31 F 8.22 4.28 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 32 L 8.18 3.98 0.00 1.84 1.98 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.98 4.78 0.00 2.23 2.10 0.00 3.23 0.00 0.00 3.50 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 34 V 7.47 3.51 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.04 0.00 0.00 35 I 7.44 3.53 1.89 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.30 0.61 0.00 0.00 36 G 8.25 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 0.00 0.00 0.00 37 K 8.01 3.88 0.00 1.92 1.80 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.45 7.81 38 K 7.66 3.83 0.00 1.78 1.79 0.00 1.45 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.36 7.81 39 L 7.66 3.75 0.00 1.20 1.27 0.77 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.73 3.62 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.59 0.88 0.00 0.00 41 A 8.10 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.65 3.65 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.25 0.87 0.00 0.00 43 R 8.07 3.93 0.00 1.83 2.10 0.00 3.32 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.95 0.00 44 D 8.41 4.40 0.00 2.89 2.70 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 0.00 0.00 0.00 45 R 8.19 3.89 0.00 1.90 2.11 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 46 F 8.26 4.24 0.00 3.17 3.25 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 0.00 47 L 8.07 3.82 0.00 1.93 1.67 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.95 3.92 0.00 1.95 1.82 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.60 7.81 49 R 7.76 3.90 0.00 1.68 1.92 0.00 3.30 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 50 I 6.97 4.01 1.65 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.36 0.18 0.00 0.00 51 G 8.27 3.90 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 0.00 0.00 0.00 52 A 8.05 4.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.37 4.30 1.22 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 0.00 0.00