NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4302 8.1727 120.0287 57.0259 35.4268 177.3003 2 R 3.7986 7.8899 118.7782 57.9594 30.5346 177.5494 3 R 3.8825 8.8045 118.8422 58.9892 30.5678 178.2629 4 W 4.2695 8.1491 118.0908 59.9379 29.1585 178.4260 5 K 4.1874 8.2629 119.2437 59.2093 31.6557 178.6860 6 K 3.9843 8.6837 120.5626 59.7497 32.1282 178.5885 7 N 4.4185 8.4283 116.7110 56.1270 38.4244 177.2408 8 F 4.2435 8.4045 122.2412 61.4870 39.5389 177.3473 9 I 3.7563 8.1811 119.2724 63.9573 36.8343 178.3341 10 A 3.9847 7.9590 121.7779 55.1892 18.2709 179.9192 11 V 3.5322 7.7645 116.8282 66.0453 31.5092 178.3068 12 S 3.8819 8.1444 115.1778 61.3894 62.4739 176.6661 13 A 3.7377 7.8560 123.0641 54.9644 18.1910 179.1771 14 A 4.1929 8.1495 119.5041 55.8787 18.5012 179.6169 15 N 4.3159 8.2095 114.5540 56.5284 38.5628 177.9285 16 R 3.8557 8.0720 119.6095 59.2625 30.2609 179.1194 17 F 4.2569 8.2601 117.7985 60.4308 38.6132 177.6144 18 K 4.0126 8.3184 119.3795 59.3899 31.7421 178.8017 19 K 3.9790 7.6694 118.6799 59.4823 32.1672 178.6132 20 I 3.8988 7.5941 119.7146 64.2681 37.0811 178.2076 21 S 4.2871 7.9749 114.0073 60.7635 62.9028 175.0002 22 S 4.5116 7.6505 121.9530 58.3192 63.0474 173.7763 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 8.17 4.43 0.00 2.01 2.05 0.00 1.50 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.48 7.81 2 R 7.89 3.80 0.00 2.01 1.99 0.00 3.21 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 3 R 8.80 3.88 0.00 1.78 1.76 0.00 3.14 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 4 W 8.15 4.27 0.00 3.57 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 5 K 8.26 4.19 0.00 1.99 1.90 0.00 1.50 0.00 0.00 1.55 0.00 0.00 3.18 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.63 7.81 6 K 8.68 3.98 0.00 1.88 2.11 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.51 7.81 7 N 8.43 4.42 0.00 3.11 2.92 0.00 0.00 6.70 7.54 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 8 F 8.40 4.24 0.00 3.27 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.18 3.76 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.74 0.92 0.00 0.00 10 A 7.96 3.98 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 11 V 7.76 3.53 2.12 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 1.00 0.00 0.00 0.96 0.00 0.00 12 S 8.14 3.88 0.00 3.65 3.60 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 13 A 7.86 3.74 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 14 A 8.15 4.19 1.42 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 0.00 0.00 0.00 15 N 8.21 4.32 0.00 2.97 2.85 0.00 0.00 7.11 6.95 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 16 R 8.07 3.86 0.00 1.66 1.74 0.00 2.97 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 17 F 8.26 4.26 0.00 3.24 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.32 4.01 0.00 1.93 2.02 0.00 1.55 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.51 7.81 19 K 7.67 3.98 0.00 1.79 2.03 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.52 7.81 20 I 7.59 3.90 2.09 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 1.59 0.52 0.96 0.00 0.00 21 S 7.97 4.29 0.00 4.09 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.65 4.51 0.00 3.84 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00