NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3909 8.3049 120.3480 54.6253 34.2701 175.8006 2 K 4.6894 7.8518 116.6208 53.7700 32.8693 172.4372 3 V 3.1549 7.8641 119.3751 63.1466 32.6002 170.8146 4 R 4.4111 8.4097 115.6688 57.6636 33.1796 175.2847 5 A 3.8639 8.4458 118.7683 52.9172 16.7971 178.9585 6 S 4.3430 8.8851 112.8850 57.3504 65.1027 173.9717 7 V 4.3875 8.4304 122.2213 61.2267 32.9109 177.6704 8 K 4.1483 8.3191 122.8784 56.9102 30.0212 177.3992 9 K 4.4915 8.8749 122.6973 57.3311 38.5787 176.3076 10 L 3.3690 8.7045 116.8615 56.3878 40.9131 173.5570 11 C 3.9726 8.3202 115.8182 60.6867 27.1850 172.0522 12 R 4.4236 8.1559 114.3171 58.7442 31.3353 178.0117 13 N 4.6714 8.0350 110.6148 53.8996 38.4137 175.1354 14 C 4.2831 7.3628 116.6902 59.4381 28.9922 173.8094 15 K 4.0271 8.4258 120.1635 56.6117 32.1635 178.0485 16 I 3.6959 8.3353 120.1801 61.9260 37.9001 177.2405 17 V 3.6449 7.5105 116.5826 62.1509 30.6386 171.8300 18 K 4.5694 8.4638 119.3483 54.9647 34.2954 176.0238 19 R 4.8037 7.4899 123.1116 56.5905 30.9941 176.6458 20 D 4.6826 8.3097 123.5480 54.6997 40.3947 176.6053 21 G 3.6187 7.8402 108.0490 45.8077 0.0000 171.9134 22 V 4.1984 7.3193 119.1287 61.1423 32.9769 175.0835 23 I 3.6987 8.0360 122.4632 58.9707 37.6470 177.3931 24 R 3.3460 8.2148 122.9812 56.0654 27.3523 176.4924 25 V 4.3296 8.0164 123.9090 61.6878 31.6873 174.2967 26 I 3.7633 7.9370 127.8807 61.0031 43.0966 174.0388 27 C 3.8474 8.2118 125.6691 59.5959 28.9321 172.8813 28 S 4.1828 7.9308 118.9188 58.3824 62.7885 172.7025 29 A 3.7783 8.5329 120.0423 53.5259 15.6307 178.7113 30 E 4.6517 7.5896 118.2334 55.4267 30.5973 175.7663 31 P 4.0556 0.0000 0.0000 64.3268 32.4034 176.3402 32 K 4.3212 7.7795 116.8125 58.0185 33.6455 175.9928 33 H 4.2072 7.9858 114.3615 56.6415 28.9366 176.1428 34 K 4.4040 8.1098 119.0616 56.6376 33.8922 172.7201 35 Q 4.3486 8.1980 124.5344 55.8317 29.4982 175.1507 36 R 4.4848 7.9583 119.7809 55.3661 31.7027 173.7421 37 Q 4.3561 8.6380 115.6948 57.4195 28.8397 176.7497 38 G 3.7223 8.3504 108.0448 46.2663 0.0000 172.7689 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 4.39 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 K 7.85 4.69 0.00 1.84 1.91 0.00 1.89 0.00 0.00 2.33 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.53 7.81 3 V 7.86 3.15 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 0.73 0.00 0.00 0.93 0.00 0.00 4 R 8.41 4.41 0.00 1.75 1.85 0.00 3.28 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 5 A 8.45 3.86 1.19 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 0.00 0.00 6 S 8.89 4.34 0.00 3.78 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.39 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 0.79 0.00 0.00 0.93 0.00 0.00 8 K 8.32 4.15 0.00 1.77 1.33 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.36 7.81 9 K 8.87 4.49 0.00 1.86 1.98 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.39 7.81 10 L 8.70 3.37 0.00 1.73 1.70 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.32 3.97 0.00 3.10 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 12 R 8.16 4.42 0.00 1.81 1.92 0.00 3.29 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 13 N 8.04 4.67 0.00 2.87 2.85 0.00 0.00 6.90 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.36 4.28 0.00 2.95 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.03 0.00 1.88 1.75 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.45 7.81 16 I 8.34 3.70 1.87 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 1.47 1.35 0.95 0.00 0.00 17 V 7.51 3.64 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 0.80 0.00 0.00 0.98 0.00 0.00 18 K 8.46 4.57 0.00 1.78 1.73 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.38 1.54 7.81 19 R 7.49 4.80 0.00 1.94 1.52 0.00 3.25 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.37 0.00 20 D 8.31 4.68 0.00 2.64 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.84 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.32 4.20 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 1.05 0.00 0.00 0.93 0.00 0.00 23 I 8.04 3.70 2.03 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 1.41 0.60 0.96 0.00 0.00 24 R 8.21 3.35 0.00 1.88 2.15 0.00 3.26 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 25 V 8.02 4.33 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 26 I 7.94 3.76 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.92 1.03 0.00 0.00 27 C 8.21 3.85 0.00 3.05 3.30 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 28 S 7.93 4.18 0.00 3.87 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.53 3.78 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.59 4.65 0.00 2.18 1.98 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 2.36 2.32 0.00 31 P 0.00 4.06 0.00 2.03 2.06 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 32 K 7.78 4.32 0.00 1.68 1.76 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.53 7.81 33 H 7.99 4.21 0.00 3.16 3.25 0.00 5.79 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 34 K 8.11 4.40 0.00 1.82 1.78 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.36 7.81 35 Q 8.20 4.35 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 36 R 7.96 4.48 0.00 1.98 2.02 0.00 3.03 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 37 Q 8.64 4.36 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 38 G 8.35 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00