NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6139 8.3049 118.3342 54.8722 32.8085 175.1511 2 K 4.0542 8.3933 120.9447 56.3121 32.9402 172.6116 3 V 3.7582 8.1774 114.9850 63.4122 33.7996 177.2102 4 R 3.1555 7.6898 109.6355 57.3272 30.1513 175.6789 5 A 4.2594 8.4051 121.9612 54.3355 19.3797 178.3974 6 S 4.5131 7.8158 109.1706 57.9182 64.1742 172.8393 7 V 4.2742 8.0519 114.0748 61.5488 33.7646 173.3747 8 K 3.7846 7.8547 124.0648 55.4331 31.7756 175.7619 9 K 4.4032 8.2691 120.5009 56.2044 33.1605 176.7435 10 L 4.4703 8.1943 116.6401 55.8516 45.0690 175.7649 11 C 4.7973 7.6252 112.1796 53.3576 43.9467 173.8501 12 R 3.8314 8.3716 114.3092 57.3888 29.3601 176.5443 13 N 4.7750 7.7790 114.6679 53.4501 39.8827 174.9919 14 C 4.9658 7.2341 115.3018 59.5692 28.6150 173.7082 15 K 4.4230 8.1702 118.8472 54.5890 34.0105 175.1504 16 I 3.3262 7.9947 119.5799 61.6191 36.2805 173.4205 17 V 4.2805 8.4828 122.8927 61.5065 34.7380 172.5464 18 K 4.7038 8.6237 128.6211 55.3080 32.6320 175.6282 19 R 4.6941 8.5263 125.6674 55.5339 33.8463 175.2223 20 D 4.2585 8.5636 122.0414 55.9252 39.8322 174.6779 21 G 4.1070 9.0499 114.2624 45.8044 0.0000 171.8122 22 V 4.4282 7.8745 120.2590 60.5807 34.1183 174.7597 23 I 4.5303 8.4082 128.8061 61.3189 37.8319 175.3147 24 R 4.9187 9.5656 125.6478 54.2904 35.0174 174.3451 25 V 4.5697 8.3926 119.0315 61.2825 34.7767 174.1147 26 I 4.4639 8.4337 128.3086 59.8316 39.4622 174.7215 27 C 5.0606 8.7600 127.9785 55.1513 44.3181 173.7556 28 S 4.1390 8.8044 119.9347 60.4026 63.7025 175.6365 29 A 4.0323 8.0747 123.2345 54.2863 18.6076 176.9055 30 E 4.5630 7.8709 117.8509 53.5932 31.7985 174.5295 31 P 4.2625 0.0000 0.0000 65.4952 31.5741 178.3548 32 K 4.2268 7.6462 114.6967 58.2055 31.8272 176.8926 33 H 4.9026 7.8809 115.2839 55.4645 29.9820 175.3403 34 K 4.3392 7.9498 121.4687 56.9877 32.9224 175.6796 35 Q 4.9737 8.9591 124.7746 54.7841 33.8092 173.9868 36 R 4.4403 8.2834 119.2713 57.3928 33.2188 174.5794 37 Q 3.0454 8.7842 108.0354 57.6858 26.6397 175.0941 38 G 3.7595 8.0137 110.3617 45.0521 0.0000 171.1880 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 4.61 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 2 K 8.39 4.05 0.00 1.85 1.77 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.49 7.81 3 V 8.18 3.76 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 0.75 0.00 0.00 0.93 0.00 0.00 4 R 7.69 3.16 0.00 1.99 2.05 0.00 3.03 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.88 0.00 5 A 8.41 4.26 1.30 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 0.00 0.00 6 S 7.82 4.51 0.00 3.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.27 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 0.99 0.00 0.00 0.93 0.00 0.00 8 K 7.85 3.78 0.00 1.90 1.79 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.44 7.81 9 K 8.27 4.40 0.00 1.70 1.73 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.51 7.81 10 L 8.19 4.47 0.00 1.17 1.49 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.63 4.80 0.00 3.08 3.19 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 12 R 8.37 3.83 0.00 1.94 2.08 0.00 3.00 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 13 N 7.78 4.78 0.00 2.72 2.89 0.00 0.00 6.99 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 7.23 4.97 0.00 3.11 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.17 4.42 0.00 1.83 1.79 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.41 7.81 16 I 7.99 3.33 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 1.29 0.63 0.91 0.00 0.00 17 V 8.48 4.28 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 0.86 0.00 0.00 0.93 0.00 0.00 18 K 8.62 4.70 0.00 1.75 1.71 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.50 1.45 7.81 19 R 8.53 4.69 0.00 1.88 1.77 0.00 3.33 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 20 D 8.56 4.26 0.00 2.81 1.72 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 21 G 9.05 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.87 4.43 2.17 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 0.97 0.00 0.00 0.93 0.00 0.00 23 I 8.41 4.53 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 1.34 0.65 0.91 0.00 0.00 24 R 9.57 4.92 0.00 1.76 1.86 0.00 3.06 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 25 V 8.39 4.57 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 0.98 0.00 0.00 0.98 0.00 0.00 26 I 8.43 4.46 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 1.23 1.10 0.91 0.00 0.00 27 C 8.76 5.06 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 28 S 8.80 4.14 0.00 4.02 3.97 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 0.00 0.00 0.00 29 A 8.07 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.56 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 31 P 0.00 4.26 0.00 2.20 2.08 0.00 3.63 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 32 K 7.65 4.23 0.00 1.77 1.78 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.57 7.81 33 H 7.88 4.90 0.00 3.22 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.95 4.34 0.00 1.84 1.78 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 35 Q 8.96 4.97 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.24 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 36 R 8.28 4.44 0.00 1.78 1.78 0.00 3.37 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 37 Q 8.78 3.05 0.00 2.12 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 38 G 8.01 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00