NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2588 8.1727 121.7887 56.5715 34.3361 177.5937 4 Q 3.8250 7.9980 119.1483 58.7820 28.7832 176.7540 5 I 3.7756 8.4174 121.7364 64.3528 37.7621 177.6215 6 E 3.9805 8.0938 118.9853 59.4042 29.3446 179.0136 7 D 4.3575 7.9193 118.6295 57.3943 40.8669 179.0156 8 K 4.1861 8.0648 118.9693 59.2919 31.9342 179.5046 9 L 4.0008 8.2664 119.7804 57.8763 41.5800 179.4209 10 E 3.9988 8.2538 118.5662 59.2575 29.2926 179.1963 11 E 3.9759 8.3148 118.6643 59.4489 29.4773 179.2524 12 I 3.6663 8.0585 120.1527 64.4330 37.1596 178.2464 13 L 3.8304 8.0570 120.9131 58.2522 41.9911 178.7654 14 S 4.2424 8.2165 113.0688 61.4645 62.1431 176.1979 15 K 3.9944 8.3717 121.3149 59.5317 31.7072 179.2105 16 L 3.9475 8.2349 119.4178 58.0376 41.5110 179.0676 17 Y 4.3132 8.1263 116.8014 61.4600 37.6784 178.4230 18 H 4.2230 8.4797 119.1207 59.1841 30.0322 177.4434 19 I 4.1291 8.0207 123.2430 64.0439 36.8594 177.9536 20 E 3.9807 8.3874 119.6314 59.8774 29.3127 179.4630 21 N 4.3972 8.2793 116.0924 56.0332 38.6830 177.2222 22 E 3.8898 8.4115 120.4520 59.7086 29.6421 179.4017 23 L 3.9844 8.0131 118.3579 57.7559 41.5410 179.3495 24 A 4.1751 7.6850 120.4459 54.4298 18.8216 179.3542 25 R 3.7938 8.8062 117.8906 60.1003 30.2509 179.5645 26 S 3.9316 8.0253 114.6853 60.9800 62.5963 176.3303 27 K 3.7858 7.6728 121.3907 59.7685 31.9290 178.0484 28 K 4.0648 7.5812 117.5810 59.6159 32.2312 178.4737 29 L 4.1186 7.7896 117.9179 57.4170 41.6842 177.4039 30 L 4.2132 7.7546 123.6154 55.7189 42.1648 176.5016 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 3 K 8.17 4.26 0.00 1.81 1.86 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.44 7.81 4 Q 8.00 3.83 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 5 I 8.42 3.78 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 1.64 0.56 0.91 0.00 0.00 6 E 8.09 3.98 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 7 D 7.92 4.36 0.00 2.92 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 4.19 0.00 1.95 1.86 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.73 1.62 7.81 9 L 8.27 4.00 0.00 1.83 1.71 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.25 4.00 0.00 2.17 2.01 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 2.35 2.47 0.00 11 E 8.31 3.98 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.63 0.00 12 I 8.06 3.67 2.06 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.90 0.89 0.00 0.00 13 L 8.06 3.83 0.00 1.83 1.69 0.73 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.22 4.24 0.00 4.01 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 3.99 0.00 2.04 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.50 7.81 16 L 8.23 3.95 0.00 1.61 1.57 0.83 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.13 4.31 0.00 3.11 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 18 H 8.48 4.22 0.00 3.39 3.53 0.00 5.78 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 19 I 8.02 4.13 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.01 0.91 0.00 0.00 20 E 8.39 3.98 0.00 2.38 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 0.00 2.34 2.46 0.00 21 N 8.28 4.40 0.00 2.88 2.85 0.00 0.00 7.03 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.41 3.89 0.00 2.09 1.97 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 2.25 2.23 0.00 23 L 8.01 3.98 0.00 1.70 1.74 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.68 4.18 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 25 R 8.81 3.79 0.00 1.92 2.15 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 26 S 8.03 3.93 0.00 4.19 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.67 3.79 0.00 1.76 2.12 0.00 1.81 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 28 K 7.58 4.06 0.00 1.75 2.02 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.53 7.81 29 L 7.79 4.12 0.00 1.67 1.71 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.75 4.21 0.00 1.82 1.79 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00