NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 W 4.9934 8.1333 117.9407 56.2892 30.4930 177.1325 2 L 3.1975 7.3381 119.4128 56.8615 40.7479 177.4201 3 I 3.6004 7.8800 118.2860 64.7194 38.1853 176.3023 4 C 4.2088 8.1106 119.3408 62.2234 31.3715 174.7218 5 E 3.9776 8.7950 118.8653 60.5925 28.9115 178.6555 6 E 4.0469 7.8749 121.4753 57.4772 29.9513 176.9936 7 P 4.3439 0.0000 0.0000 66.4859 31.9957 178.7480 8 T 3.9320 7.6328 116.1796 65.9246 68.4249 176.8839 9 C 4.2157 8.6645 119.1103 62.4556 27.8840 176.0463 10 R 3.8856 7.4361 118.5450 59.5070 29.7987 178.0808 11 N 4.4557 8.0339 116.4906 56.0354 38.5126 177.5370 12 R 3.4093 7.9438 117.6941 59.2379 29.4813 179.0100 13 T 3.8891 7.9176 116.5131 66.4683 68.1189 176.5994 14 R 3.9974 7.4456 119.2394 59.2309 30.2362 178.3887 15 H 4.2700 7.9504 115.7974 58.3885 28.3415 177.4453 16 L 3.8807 7.6618 121.8545 57.5303 41.9572 176.0449 17 P 4.3380 0.0000 0.0000 65.2719 31.6242 177.2564 18 L 4.0642 7.9163 116.8527 57.4660 40.9851 177.4543 19 Q 3.5741 8.4555 117.5797 56.2203 28.0009 173.8982 20 F 4.5267 7.6731 113.0512 58.9275 38.6824 175.7576 21 S 4.6112 7.2444 115.5774 57.9129 62.3829 175.0974 22 R 4.0839 8.0890 118.4500 59.5033 29.8758 178.2089 23 T 3.8579 8.1665 107.8269 64.1794 69.0430 174.5094 24 G 3.9504 8.0236 111.3272 45.0321 0.0000 171.8269 25 P 4.6933 0.0000 0.0000 62.9827 29.5027 175.0629 26 L 4.6531 7.8479 118.9741 55.6074 44.5326 177.1652 27 C 4.7455 7.6778 110.5501 55.3857 32.4412 172.2646 28 P 4.1942 0.0000 0.0000 62.8562 30.1408 175.9202 29 A 3.6613 8.1766 130.7446 53.6382 15.7893 176.9893 30 C 4.5631 7.8689 119.0840 60.7599 32.7195 174.5422 31 M 4.2416 8.0420 118.9718 58.8076 31.7058 177.7259 32 K 3.7669 8.1435 118.4881 59.9686 32.4658 178.6159 33 A 4.3289 8.0813 122.6751 54.8291 18.2412 179.2340 34 T 3.8448 7.5756 113.7304 67.1963 68.3012 176.5648 35 L 4.0199 7.6182 119.5702 57.2672 41.3527 178.8428 36 Q 4.1760 7.7966 118.4898 58.7292 28.4574 177.6710 37 P 4.2252 0.0000 0.0000 65.4398 31.7147 175.9650 38 E 4.1056 8.2442 121.7849 56.3707 29.5562 176.0018 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 W 8.13 4.99 0.00 3.59 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 2 L 7.34 3.20 0.00 1.52 1.51 -0.11 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 3 I 7.88 3.60 1.83 0.00 0.00 0.83 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 1.21 0.91 0.00 0.00 4 C 8.11 4.21 0.00 3.16 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 3.98 0.00 2.37 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.29 0.00 6 E 7.87 4.05 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 7 P 0.00 4.34 0.00 2.29 2.26 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.02 0.00 8 T 7.63 3.93 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 9 C 8.66 4.22 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.44 3.89 0.00 1.98 2.15 0.00 3.41 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 11 N 8.03 4.46 0.00 2.86 2.83 0.00 0.00 7.10 8.19 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 12 R 7.94 3.41 0.00 1.72 2.01 0.00 2.77 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 13 T 7.92 3.89 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 14 R 7.45 4.00 0.00 1.91 1.99 0.00 3.36 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 15 H 7.95 4.27 0.00 3.20 3.12 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.66 3.88 0.00 1.62 1.83 0.91 0.76 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 17 P 0.00 4.34 0.00 2.05 2.12 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 18 L 7.92 4.06 0.00 1.59 1.73 -0.20 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.46 3.57 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 20 F 7.67 4.53 0.00 3.09 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.24 4.61 0.00 3.81 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.09 4.08 0.00 1.96 2.05 0.00 3.55 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 23 T 8.17 3.86 4.26 0.00 0.00 0.00 0.00 0.00 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 24 G 8.02 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.69 0.00 2.07 2.05 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 26 L 7.85 4.65 0.00 1.58 1.67 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 27 C 7.68 4.75 0.00 3.02 2.87 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 28 P 0.00 4.19 0.00 2.08 2.07 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 29 A 8.18 3.66 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.87 4.56 0.00 2.93 2.99 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 31 M 8.04 4.24 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 32 K 8.14 3.77 0.00 2.04 2.08 0.00 1.58 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.67 1.54 7.81 33 A 8.08 4.33 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.58 3.84 4.39 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 1.23 0.00 0.00 35 L 7.62 4.02 0.00 1.70 1.74 0.99 0.94 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 36 Q 7.80 4.18 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 37 P 0.00 4.23 0.00 2.07 2.08 0.00 3.84 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 38 E 8.24 4.11 0.00 1.98 1.82 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 2.32 2.25 0.00