NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8328 8.3249 122.8244 58.1272 40.7054 175.8084 2 V 3.6593 6.9217 121.5684 59.5516 32.0885 177.3219 3 N 4.3199 8.7056 120.4104 56.2623 37.6382 175.5810 4 Q 4.0109 7.9972 119.8665 58.8568 28.7810 177.9289 5 H 4.1283 8.1566 118.7209 59.3237 29.7908 177.1729 6 L 3.8949 7.8962 120.6459 57.8477 41.4032 178.7451 7 C 4.1420 8.6750 119.1930 62.7321 31.3982 175.9868 8 G 3.6403 8.3848 107.2928 47.8459 0.0000 175.5289 9 S 3.9722 7.7959 115.2055 61.4687 62.2583 176.1071 10 H 4.1052 7.9998 119.0642 58.4749 28.4372 177.0931 11 L 3.8822 8.1784 122.5923 58.6992 41.7669 179.6074 12 V 3.3829 7.6981 111.8401 64.3108 31.4509 178.5188 13 E 3.9600 7.8849 118.1606 59.3232 29.2751 179.2587 14 A 3.9814 8.1391 121.0308 55.0643 18.3564 179.6723 15 L 3.6306 8.2889 117.8271 57.7855 41.6538 178.8245 16 Y 4.2994 7.9344 119.7539 61.0466 38.4672 178.5295 17 L 3.8336 7.6517 118.0377 57.6324 41.7788 179.4242 18 V 3.6729 7.6046 117.2631 66.2502 31.5209 177.5901 19 C 4.3097 8.5847 116.7202 60.3164 28.5537 175.1649 20 G 3.7477 8.2295 109.8218 46.6173 0.0000 176.1193 21 E 4.2174 8.7622 121.0608 57.7570 30.0222 178.2688 22 R 3.8947 7.6651 119.1653 57.7499 30.2936 178.0576 23 G 3.9770 8.7178 105.5891 45.5672 0.0000 171.8713 24 F 4.9376 7.6555 111.0229 56.3949 39.9789 172.8500 25 F 4.6751 9.1389 120.0174 55.7547 40.9135 174.7211 26 Y 4.9038 8.6796 125.3458 56.0923 40.6112 175.3745 27 T 4.3509 7.6952 116.9632 58.6358 69.1647 172.4143 28 P 3.9796 0.0000 0.0000 64.8268 31.6871 177.2112 29 K 4.1122 7.4473 123.6734 56.7387 31.9772 176.4924 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 F 8.32 4.83 0.00 2.97 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 2 V 6.92 3.66 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.36 0.00 0.00 3 N 8.71 4.32 0.00 3.16 3.55 0.00 0.00 6.13 7.44 0.00 0.00 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 Q 8.00 4.01 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 5 H 8.16 4.13 0.00 3.19 3.42 0.00 5.87 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 6 L 7.90 3.89 0.00 1.87 1.73 0.92 0.59 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 7 C 8.68 4.14 0.00 3.02 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 8 G 8.38 3.64 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 0.00 0.00 0.00 9 S 7.80 3.97 0.00 3.72 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.00 4.11 0.00 3.32 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.18 3.88 0.00 1.92 1.61 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.70 3.38 2.05 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 -0.03 0.00 0.00 0.87 0.00 0.00 13 E 7.88 3.96 0.00 2.06 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 2.43 2.39 0.00 14 A 8.14 3.98 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 15 L 8.29 3.63 0.00 0.86 0.36 0.74 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.93 4.30 0.00 3.26 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 17 L 7.65 3.83 0.00 1.82 1.69 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.60 3.67 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 0.80 0.00 0.00 0.94 0.00 0.00 19 C 8.58 4.31 0.00 3.19 3.23 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 0.00 20 G 8.23 3.75 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 0.00 0.00 0.00 21 E 8.76 4.22 0.00 2.10 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 2.27 2.33 0.00 22 R 7.67 3.89 0.00 2.04 2.10 0.00 3.28 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 23 G 8.72 3.98 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 0.00 0.00 0.00 24 F 7.66 4.94 0.00 3.27 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 25 F 9.14 4.68 0.00 3.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.68 4.90 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.70 4.35 4.20 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.98 0.00 2.15 2.15 0.00 3.60 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 29 K 7.45 4.11 0.00 1.69 1.73 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81