NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4898 8.3049 120.3270 55.2257 33.0246 173.0280 2 K 4.4829 7.9005 119.1616 55.2870 35.4637 171.2883 3 V 4.4524 7.4984 124.0252 61.4467 34.1033 173.1402 4 R 4.7775 8.2764 123.2026 54.4175 33.3663 175.3044 5 A 4.3437 8.5482 119.8194 51.7234 18.6939 177.5592 6 S 4.3694 7.5924 110.4468 56.5552 63.6914 172.8099 7 V 4.1297 8.1882 127.4385 61.4502 32.3310 175.2047 8 K 4.7056 8.2170 124.8283 54.9792 36.7505 176.3785 9 R 4.4180 8.1285 118.8575 55.6788 29.2973 176.1719 10 I 4.2081 7.1169 120.5857 60.7084 38.3733 175.6828 11 C 4.4528 7.8717 120.4713 57.0748 27.3947 174.1963 12 D 4.6613 8.8604 115.5717 54.7516 40.5705 177.6112 13 K 4.2223 8.0141 114.9563 56.6466 32.6390 175.6357 14 C 5.6283 8.7035 118.6920 58.3370 29.9635 172.8877 15 K 4.7325 8.3466 119.1750 54.4455 36.1741 175.8479 16 V 4.5406 8.0595 118.7671 62.6289 31.9676 175.9323 17 I 3.8716 8.1474 118.6138 61.7009 38.1671 175.0334 18 R 4.9598 8.3622 124.1489 54.2348 33.1822 174.1206 19 R 4.2580 8.7598 118.0001 56.8986 32.0468 175.8573 20 H 4.3927 9.7878 115.7777 57.1146 27.8796 175.1535 21 G 3.7049 8.4129 105.5678 45.0844 0.0000 173.6730 22 R 4.6941 7.9178 118.9759 54.0691 33.8981 174.3317 23 V 4.4194 7.7444 121.0592 62.4090 32.3434 175.2803 24 Y 4.9890 8.0275 128.0630 58.0526 40.8111 175.9204 25 V 4.3187 8.2156 117.1057 63.6590 33.7852 173.5200 26 I 4.2976 8.0631 128.9040 61.3591 39.1947 174.7578 27 C 5.2661 7.8507 122.2320 60.4087 33.8550 172.8721 28 E 4.0320 9.1193 119.4806 58.8749 29.2280 176.6007 29 N 4.8508 7.6786 116.4463 50.3019 39.1236 174.1657 30 P 3.9533 0.0000 0.0000 65.5229 31.4445 178.0664 31 K 4.2288 7.3758 115.9625 58.1494 31.6549 176.7074 32 H 4.8847 8.1645 114.5680 54.8724 30.3833 173.3612 33 K 4.1186 7.8837 120.4714 56.8861 31.2019 175.2939 34 Q 4.5034 8.4461 124.7390 55.1026 30.3181 176.2866 35 R 3.9070 7.7942 119.0847 54.6987 31.9006 173.7136 36 Q 3.1747 8.1918 115.1574 57.2583 28.6464 173.6839 37 G 3.7519 8.9772 112.5948 46.5386 0.0000 172.5770 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 M 8.30 4.49 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 2 K 7.90 4.48 0.00 1.69 1.75 0.00 1.88 0.00 0.00 1.95 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.27 7.81 3 V 7.50 4.45 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.87 0.00 0.00 4 R 8.28 4.78 0.00 1.84 1.94 0.00 2.99 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 5 A 8.55 4.34 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 6 S 7.59 4.37 0.00 3.77 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.19 4.13 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 0.87 0.00 0.00 0.92 0.00 0.00 8 K 8.22 4.71 0.00 1.70 1.63 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.36 7.81 9 R 8.13 4.42 0.00 1.86 1.90 0.00 3.18 0.00 0.00 3.34 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 10 I 7.12 4.21 1.55 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.27 0.77 0.00 0.00 11 C 7.87 4.45 0.00 3.19 2.37 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 12 D 8.86 4.66 0.00 2.79 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.01 4.22 0.00 1.75 1.87 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.50 7.81 14 C 8.70 5.63 0.00 2.81 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 15 K 8.35 4.73 0.00 1.59 1.71 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.41 7.81 16 V 8.06 4.54 2.10 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 0.84 0.00 0.00 0.94 0.00 0.00 17 I 8.15 3.87 1.87 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 1.23 1.06 0.84 0.00 0.00 18 R 8.36 4.96 0.00 1.81 1.78 0.00 3.34 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 19 R 8.76 4.26 0.00 1.99 1.88 0.00 2.21 0.00 0.00 2.88 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.00 0.00 20 H 9.79 4.39 0.00 3.35 3.56 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.41 3.70 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 0.00 0.00 0.00 22 R 7.92 4.69 0.00 1.97 1.81 0.00 3.21 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 23 V 7.74 4.42 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 0.82 0.00 0.00 1.04 0.00 0.00 24 Y 8.03 4.99 0.00 2.73 2.98 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 25 V 8.22 4.32 2.11 0.00 0.00 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 1.00 0.00 0.00 26 I 8.06 4.30 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.43 0.93 0.00 0.00 27 C 7.85 5.27 0.00 3.00 2.83 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 28 E 9.12 4.03 0.00 1.97 1.93 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 2.28 2.24 0.00 29 N 7.68 4.85 0.00 2.86 2.85 0.00 0.00 5.85 7.76 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 30 P 0.00 3.95 0.00 2.23 2.35 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 31 K 7.38 4.23 0.00 1.59 1.99 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.42 7.81 32 H 8.16 4.88 0.00 3.06 3.26 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.88 4.12 0.00 1.83 1.82 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.47 7.81 34 Q 8.45 4.50 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 35 R 7.79 3.91 0.00 1.46 1.55 0.00 3.16 0.00 0.00 2.85 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 36 Q 8.19 3.17 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 37 G 8.98 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