NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3319 8.3149 120.1360 55.5622 33.5288 176.3181 2 R 4.3484 8.6419 122.6382 55.7392 31.6484 176.1772 3 R 4.3496 8.5905 119.9575 55.3595 30.5400 177.4345 4 W 4.3541 9.0613 122.8541 58.2264 28.8590 177.9550 5 K 4.3599 8.2371 119.8753 58.8403 31.4804 178.7604 6 K 3.6035 8.1721 118.1429 59.9799 32.1803 178.8194 7 N 4.2857 8.1102 116.4692 56.5929 39.0476 176.6141 8 F 4.2004 8.8963 122.4130 61.3895 39.5143 176.7189 9 I 3.1796 8.8028 120.3789 64.4918 36.8631 177.6664 10 A 3.9255 7.8493 120.9932 55.7254 18.1397 179.8560 11 V 3.5065 7.7068 115.8738 66.0695 31.4131 178.2144 12 S 3.7936 8.1177 113.1426 60.9573 61.8557 175.8072 13 A 3.9794 7.8568 122.6204 55.1939 18.5093 179.1589 14 A 4.2044 7.7924 118.8442 55.4505 18.6511 179.1298 15 N 4.2242 8.7849 115.9619 57.1335 38.8097 176.9657 16 R 3.8546 8.3859 120.2835 59.2322 29.9427 178.2034 17 F 3.9494 7.9860 116.1052 59.1923 38.9827 176.8900 18 K 4.2236 7.8529 118.5228 58.5950 32.3925 177.9724 19 K 4.2053 7.7584 117.0490 58.3600 32.2848 178.5342 20 I 3.9397 7.7848 120.3746 63.4126 37.5906 175.3440 21 S 4.1886 7.9514 113.7977 58.1329 61.1827 172.5232 22 S 3.8650 8.5510 121.9741 60.0489 60.7054 173.4887 23 S 3.4395 8.2348 112.5248 58.9614 59.7168 172.0322 24 G 4.1198 8.5655 120.4030 46.1315 0.0000 173.4796 25 A 4.0687 7.7824 126.0219 54.3271 18.6340 178.8050 26 L 4.3722 7.6254 118.7346 55.0136 42.6533 176.2978 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 K 8.31 4.33 0.00 1.79 1.70 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.48 7.81 2 R 8.64 4.35 0.00 1.97 1.99 0.00 3.32 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 3 R 8.59 4.35 0.00 1.89 1.98 0.00 3.32 0.00 0.00 3.39 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 4 W 9.06 4.35 0.00 3.30 3.40 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 5 K 8.24 4.36 0.00 1.90 1.91 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.59 7.81 6 K 8.17 3.60 0.00 1.80 1.91 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.71 7.81 7 N 8.11 4.29 0.00 2.75 2.88 0.00 0.00 6.68 7.59 0.00 0.00 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 F 8.90 4.20 0.00 3.23 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.80 3.18 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.79 0.89 0.00 0.00 10 A 7.85 3.93 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 11 V 7.71 3.51 2.16 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 0.94 0.00 0.00 1.00 0.00 0.00 12 S 8.12 3.79 0.00 2.91 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.86 3.98 1.41 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 0.00 0.00 0.00 14 A 7.79 4.20 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.78 4.22 0.00 2.80 2.93 0.00 0.00 6.91 8.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.39 3.85 0.00 1.95 1.80 0.00 3.09 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.46 0.00 17 F 7.99 3.95 0.00 3.27 3.10 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 0.00 0.00 0.00 18 K 7.85 4.22 0.00 1.79 1.95 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.55 7.81 19 K 7.76 4.21 0.00 1.90 1.81 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 20 I 7.78 3.94 1.83 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.27 0.91 0.00 0.00 21 S 7.95 4.19 0.00 3.98 3.96 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 22 S 8.55 3.87 0.00 3.84 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 23 S 8.23 3.44 0.00 3.97 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.57 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 4.07 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 26 L 7.63 4.37 0.00 1.57 1.51 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00