NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2387 8.2644 123.5825 51.9450 19.8805 175.7731 2 V 4.1597 8.2509 119.5757 60.6647 33.1189 169.9601 3 V 4.5196 8.4560 120.2398 59.2279 35.7475 174.3622 4 K 4.4850 8.5185 123.2347 54.4602 34.1700 175.2999 5 V 4.2961 8.2174 125.9129 60.1868 32.7924 173.4470 6 P 4.4868 0.0000 0.0000 62.5785 32.0610 175.5084 7 L 4.9108 8.2424 119.7753 52.9866 44.5415 175.8931 8 K 4.6096 8.3642 118.9243 54.4059 35.7269 175.6640 9 K 4.4244 8.1421 122.0099 55.2929 33.2008 175.6382 10 F 4.8021 8.3745 122.9305 55.2872 43.1603 174.2085 11 K 4.3800 8.6018 120.9883 56.3954 32.5438 178.2289 12 S 4.5037 8.7446 118.1279 57.7576 65.3464 175.5973 13 I 3.5872 8.1514 123.2798 64.5709 36.7690 178.5813 14 R 3.7861 7.8655 118.9580 59.3670 29.9399 178.3179 15 E 3.9204 8.1953 118.2663 59.7690 29.5384 179.4126 16 T 3.8631 8.0790 115.9358 67.0206 68.5199 176.6442 17 M 4.0293 8.3374 120.9378 58.0086 31.7915 178.7291 18 K 3.8944 8.1941 119.9527 59.6917 32.2001 178.7846 19 E 3.9727 8.0747 117.4167 58.8108 29.4137 178.5026 20 K 4.4157 7.8419 115.9247 55.2926 32.4197 176.7777 21 G 3.9250 8.1247 107.3782 47.2225 0.0000 175.2517 22 L 4.5952 8.1927 118.9855 54.0041 42.4538 177.5151 23 L 4.0207 8.0246 121.2954 58.1947 41.9850 178.5067 24 G 4.3839 8.1298 105.0577 48.2277 0.0000 174.9604 25 E 4.2225 8.1107 118.4721 57.9969 30.4376 178.1116 26 F 4.3189 7.9714 121.7957 61.0083 39.2090 177.0868 27 L 4.2961 8.9964 119.3066 57.3982 41.4618 178.7720 28 R 4.6063 7.7270 115.0166 56.1200 30.5239 176.9793 29 T 4.5197 7.6533 113.6949 63.2604 70.2498 173.7301 30 H 4.7375 7.9836 118.3679 53.5308 31.6317 172.5725 31 K 4.7307 8.6418 124.8418 54.8232 34.3587 174.4541 32 Y 4.6220 8.1289 124.3375 55.9634 42.0381 173.2740 33 D 4.0886 6.0500 124.8775 51.0420 43.0234 174.8962 34 P 4.0700 0.0000 0.0000 65.4939 31.4066 178.0132 35 A 4.4085 8.2473 118.8865 53.8366 18.1767 179.1624 36 W 4.4932 7.9659 118.0533 58.8721 28.8072 178.1966 37 K 4.0565 7.5898 119.1766 58.5845 30.9515 176.7487 38 Y 4.8847 7.1981 114.9903 57.7250 38.1928 177.4996 39 R 4.2280 7.9755 122.1423 59.3274 30.2707 177.7968 40 F 4.4613 8.0788 115.6262 57.6024 39.3449 175.1792 41 G 4.0822 8.6234 110.0787 45.5805 0.0000 173.2471 42 D 4.7407 8.1202 118.8937 52.8074 40.7386 176.2838 43 L 4.3479 8.2106 117.9691 54.9627 42.2536 176.7567 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 A 8.26 4.24 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 2 V 8.25 4.16 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 0.85 0.00 0.00 0.93 0.00 0.00 3 V 8.46 4.52 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 0.77 0.00 0.00 0.93 0.00 0.00 4 K 8.52 4.49 0.00 1.68 1.66 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.38 7.81 5 V 8.22 4.30 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 0.92 0.00 0.00 0.94 0.00 0.00 6 P 0.00 4.49 0.00 2.23 2.04 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 7 L 8.24 4.91 0.00 1.65 1.64 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.36 4.61 0.00 1.63 1.22 0.00 1.75 0.00 0.00 1.45 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.39 7.81 9 K 8.14 4.42 0.00 1.65 1.59 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.49 7.81 10 F 8.37 4.80 0.00 2.98 2.95 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 11 K 8.60 4.38 0.00 1.80 1.76 0.00 1.76 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.39 7.81 12 S 8.74 4.50 0.00 4.05 3.99 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 13 I 8.15 3.59 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.59 0.72 0.00 0.00 14 R 7.87 3.79 0.00 1.82 1.89 0.00 3.17 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 15 E 8.20 3.92 0.00 2.22 1.97 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 2.32 2.34 0.00 16 T 8.08 3.86 4.34 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 1.18 0.00 0.00 17 M 8.34 4.03 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 18 K 8.19 3.89 0.00 1.90 2.01 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 19 E 8.07 3.97 0.00 2.18 1.99 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 2.34 2.34 0.00 20 K 7.84 4.42 0.00 1.72 1.82 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.70 1.56 7.81 21 G 8.12 3.93 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 0.00 0.00 0.00 22 L 8.19 4.60 0.00 1.60 1.71 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.02 4.02 0.00 1.78 1.66 0.85 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.13 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 0.00 0.00 0.00 0.00 25 E 8.11 4.22 0.00 2.18 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 0.00 2.34 2.45 0.00 26 F 7.97 4.32 0.00 3.19 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 27 L 9.00 4.30 0.00 1.82 1.81 0.97 1.04 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 28 R 7.73 4.61 0.00 1.82 1.95 0.00 3.12 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 29 T 7.65 4.52 4.42 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 1.07 0.00 0.00 30 H 7.98 4.74 0.00 2.90 3.06 0.00 5.85 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 31 K 8.64 4.73 0.00 1.76 1.83 0.00 2.00 0.00 0.00 1.47 0.00 0.00 2.50 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.38 7.81 32 Y 8.13 4.62 0.00 2.97 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 6.05 4.09 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.07 0.00 2.15 2.13 0.00 3.34 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 35 A 8.25 4.41 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 36 W 7.97 4.49 0.00 3.28 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 37 K 7.59 4.06 0.00 1.53 0.81 0.00 1.73 0.00 0.00 1.54 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.09 1.36 7.81 38 Y 7.20 4.88 0.00 3.19 2.96 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 39 R 7.98 4.23 0.00 1.32 1.78 0.00 3.23 0.00 0.00 3.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 40 F 8.08 4.46 0.00 3.16 3.17 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 41 G 8.62 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 0.00 0.00 0.00 42 D 8.12 4.74 0.00 2.82 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 43 L 8.21 4.35 0.00 1.62 1.57 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00