NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4546 8.3049 120.3269 55.3529 34.4165 175.9115 2 T 4.1972 7.9572 115.7888 61.9977 70.9602 174.3560 3 I 3.6734 9.1409 126.4013 65.1202 37.6386 178.2135 4 D 4.3492 8.0360 118.7789 57.3728 40.6802 178.4988 5 E 4.0851 7.9943 118.5824 58.9516 29.5645 179.2643 6 I 3.7675 7.9432 120.4775 64.2782 37.2735 178.2930 7 I 3.6844 7.9956 120.9899 64.4331 36.7318 177.9819 8 E 4.0572 8.0156 118.5563 59.4178 29.3109 178.4995 9 A 4.1475 7.9092 120.3045 55.0362 18.3573 179.7469 10 I 3.6937 7.8794 118.5153 64.5865 36.9711 178.3103 11 E 3.9567 8.0989 118.3694 59.1646 29.3691 178.7967 12 K 4.3007 7.4005 115.2485 56.0205 32.7136 177.1598 13 L 4.4029 7.2255 119.9806 54.4859 42.4448 177.1453 14 T 4.4063 8.5547 111.9471 60.5578 71.5772 176.1783 15 V 3.5548 8.1676 120.2273 66.3691 31.4048 177.9757 16 S 4.1398 8.0804 114.2457 61.7851 62.6600 176.4797 17 E 3.9753 8.0462 120.6549 59.3444 29.1622 179.1771 18 L 3.9449 8.2960 120.4261 58.0114 42.1590 178.8944 19 A 3.9842 8.1855 120.9538 54.9816 18.2505 179.2928 20 E 3.8678 8.0540 117.6229 59.1782 29.6638 178.5997 21 L 3.9366 8.0667 120.5381 58.2418 42.0666 179.1000 22 V 3.5787 7.9593 118.1076 65.9253 31.4268 177.7496 23 K 3.9108 7.9729 119.1367 59.5694 31.9107 178.8953 24 K 3.9891 8.2662 118.6964 59.3415 31.8962 179.3530 25 L 4.1908 8.2728 119.5304 57.8960 41.3758 179.2619 26 E 4.1096 8.3042 117.4389 59.8803 29.5747 179.1520 27 D 4.4659 8.0891 117.1700 56.7587 40.8418 178.5316 28 K 3.8787 8.0468 119.8721 58.5097 32.4412 176.5498 29 F 4.4727 8.7058 121.8466 57.5319 39.2010 175.2929 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 4.45 0.00 2.01 2.33 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 2 T 7.96 4.20 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 3 I 9.14 3.67 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 1.62 0.71 0.90 0.00 0.00 4 D 8.04 4.35 0.00 2.71 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 5 E 7.99 4.09 0.00 2.17 1.99 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 2.40 2.39 0.00 6 I 7.94 3.77 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 0.97 0.91 0.00 0.00 7 I 8.00 3.68 1.87 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 1.04 0.96 0.00 0.00 8 E 8.02 4.06 0.00 2.24 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 0.00 2.32 2.33 0.00 9 A 7.91 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 7.88 3.69 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 0.67 0.91 0.00 0.00 11 E 8.10 3.96 0.00 2.13 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 2.60 0.00 12 K 7.40 4.30 0.00 1.86 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.57 7.81 13 L 7.23 4.40 0.00 1.72 1.60 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.55 4.41 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 15 V 8.17 3.55 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 8.08 4.14 0.00 3.90 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 3.98 0.00 2.28 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 2.32 0.00 18 L 8.30 3.94 0.00 1.74 1.84 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.19 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 3.87 0.00 2.03 2.13 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 2.31 2.32 0.00 21 L 8.07 3.94 0.00 1.81 1.85 0.95 0.75 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 22 V 7.96 3.58 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 1.05 0.00 0.00 1.04 0.00 0.00 23 K 7.97 3.91 0.00 2.08 1.88 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.64 7.81 24 K 8.27 3.99 0.00 2.05 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.63 7.81 25 L 8.27 4.19 0.00 1.90 1.85 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.30 4.11 0.00 2.11 2.05 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 2.38 2.53 0.00 27 D 8.09 4.47 0.00 2.63 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 28 K 8.05 3.88 0.00 1.56 1.81 0.00 1.58 0.00 0.00 1.30 0.00 0.00 2.80 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.76 7.81 29 F 8.71 4.47 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00