NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4911 8.1633 120.3262 55.1656 33.9713 175.9581 2 T 3.7034 8.3460 115.4605 65.2801 68.2457 175.3513 3 I 3.7499 8.5340 115.9088 64.1495 37.8993 177.5432 4 D 4.3904 8.0624 120.1290 57.1738 40.5450 178.3796 5 E 3.9615 8.1284 119.1808 59.3379 29.3310 179.5764 6 I 3.7407 7.6017 119.4255 64.3397 37.1733 178.2526 7 I 3.6711 8.0412 121.0174 64.7776 36.8042 178.1961 8 E 4.2316 8.4717 118.9835 58.8263 29.2113 179.2065 9 A 4.1491 7.7405 120.9118 54.9666 18.4398 179.8494 10 I 3.7433 7.9766 118.8815 64.4538 36.9293 178.3426 11 E 4.1454 8.5430 117.2370 58.1165 29.5940 178.6722 12 K 4.1796 7.4898 117.4914 58.2487 32.6132 177.5936 13 L 4.2699 7.5323 118.5352 54.9569 42.0922 177.5208 14 T 4.3605 10.7500 112.4856 60.8164 71.5179 176.1721 15 V 3.5718 8.1326 119.4407 66.1444 31.3147 177.9574 16 S 4.1582 7.9772 114.6622 61.4734 62.7142 176.2939 17 E 3.9766 8.1280 121.1010 59.2300 29.1746 179.0559 18 L 3.9169 8.2569 120.4750 58.1985 42.1892 178.9254 19 A 3.9874 8.0554 120.6366 54.9870 18.2973 179.0933 20 E 3.9999 7.8992 118.0582 58.7891 29.7610 178.5679 21 L 3.9519 8.0136 120.7606 58.1062 42.1391 179.1770 22 V 3.6247 8.0088 118.5486 65.5951 31.3664 178.0473 23 K 3.9409 7.9962 118.5297 60.0385 32.4104 178.9410 24 K 4.0693 7.8112 120.0119 58.9723 31.5279 179.0593 25 L 4.1390 7.9835 118.7174 58.2123 41.6191 179.6861 26 E 4.1443 8.4733 118.3971 59.1348 29.1218 179.0202 27 D 4.2952 8.9548 119.5228 57.2459 41.2499 177.9347 28 K 4.1270 8.6467 117.5585 57.7030 32.1898 176.7191 29 F 4.5077 7.5168 116.1777 57.5337 40.0496 175.0306 30 G 3.9871 7.6001 106.0467 46.5187 0.0000 174.8892 31 V 3.9844 8.2740 120.0190 62.9095 32.7798 176.3835 32 T 4.2680 8.2055 116.7154 61.0411 69.4334 173.1380 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 8.16 4.49 0.00 2.09 2.13 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 2.75 2.57 0.00 2 T 8.35 3.70 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 3 I 8.53 3.75 1.86 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 1.63 1.18 0.90 0.00 0.00 4 D 8.06 4.39 0.00 2.95 2.76 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 5 E 8.13 3.96 0.00 2.19 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 2.58 2.50 0.00 6 I 7.60 3.74 2.02 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 1.52 0.84 0.91 0.00 0.00 7 I 8.04 3.67 2.01 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 1.51 0.78 0.91 0.00 0.00 8 E 8.47 4.23 0.00 1.92 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 0.00 2.35 2.33 0.00 9 A 7.74 4.15 1.39 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 0.00 0.00 10 I 7.98 3.74 2.01 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 1.57 0.92 0.91 0.00 0.00 11 E 8.54 4.15 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 12 K 7.49 4.18 0.00 2.03 1.90 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.55 7.81 13 L 7.53 4.27 0.00 1.73 1.61 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 14 T 10.75 4.36 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 15 V 8.13 3.57 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 1.06 0.00 0.00 0.93 0.00 0.00 16 S 7.98 4.16 0.00 3.91 3.89 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 17 E 8.13 3.98 0.00 2.30 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 2.33 2.31 0.00 18 L 8.26 3.92 0.00 1.76 1.89 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.06 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.90 4.00 0.00 2.01 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 2.31 2.31 0.00 21 L 8.01 3.95 0.00 1.80 1.87 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.01 3.62 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 1.08 0.00 0.00 0.96 0.00 0.00 23 K 8.00 3.94 0.00 2.06 2.14 0.00 1.40 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.57 7.81 24 K 7.81 4.07 0.00 2.08 1.95 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.48 1.73 7.81 25 L 7.98 4.14 0.00 1.94 1.73 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.47 4.14 0.00 2.27 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 0.00 2.35 2.46 0.00 27 D 8.95 4.30 0.00 2.90 2.82 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 0.00 0.00 0.00 0.00 28 K 8.65 4.13 0.00 1.83 1.87 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.65 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.01 1.33 7.81 29 F 7.52 4.51 0.00 3.08 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.60 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.27 3.98 2.25 0.00 0.00 0.00 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 0.98 0.00 0.00 32 T 8.21 4.27 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00