NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 R 4.3276 8.2544 119.7063 55.8330 30.6247 173.6841 -1 K 4.4943 7.6570 122.5064 54.6521 36.6743 175.4749 0 L 3.4244 8.9850 125.4875 55.9128 41.4443 178.8480 1 C 4.4352 9.1317 126.1159 60.2866 39.8505 175.0043 2 S 4.0584 7.9178 114.5267 58.8905 63.0950 174.0089 3 L 4.2714 8.1519 123.9033 53.7579 41.4865 175.5109 4 D 4.4222 9.2331 129.5721 55.5982 39.8827 173.3790 5 N 4.2441 8.3526 110.0947 53.2101 37.8193 174.3239 6 G 3.6702 8.7088 101.4638 45.7421 0.0000 174.5943 7 D 4.5713 8.2902 116.1229 54.3475 40.4203 173.4395 8 C 4.6396 7.7576 114.3733 56.6623 41.1310 173.7576 9 D 4.5376 8.3605 122.9335 57.0860 41.8884 177.2648 10 Q 4.5610 7.1981 113.0181 55.3446 30.9426 179.4924 11 F 4.6043 7.4198 127.3710 59.0899 39.8570 172.0384 12 C 5.5146 8.9229 122.4482 55.1445 43.5113 172.5902 13 H 5.0516 9.3931 122.5921 54.0313 32.4660 172.2295 14 E 5.0984 8.8458 121.7396 54.9076 31.0088 175.3305 15 E 4.5909 9.3449 124.6396 55.7695 32.6387 176.3020 16 Q 3.5330 9.6393 122.5984 57.1371 26.4840 172.8492 17 N 4.2292 8.3707 108.5522 54.4838 37.7140 173.0978 18 S 4.6388 7.9657 108.6741 56.0607 65.9374 172.1660 19 V 4.5937 8.2675 125.5858 61.9731 32.5126 175.3635 20 V 4.4704 9.0468 127.5361 60.2532 33.7711 174.2787 21 C 5.4292 8.8757 122.8629 56.0550 40.6671 172.5796 22 S 4.7016 8.6089 114.6567 58.0000 66.6535 171.8183 23 C 4.6983 8.4342 116.2622 54.5769 38.6447 174.0073 24 A 4.4847 8.3626 122.9829 51.4637 18.7117 177.5052 25 R 4.1148 8.4563 118.9396 58.2006 30.6653 177.5792 26 G 4.0209 9.6926 109.8593 45.1545 0.0000 171.9747 27 Y 5.3007 7.6400 115.4994 56.2600 42.2260 174.9183 28 T 4.7412 8.9648 110.9975 59.5257 72.4218 173.0455 29 L 4.4821 8.6847 126.7478 55.1511 42.9157 176.4464 30 A 4.3116 9.2282 128.4926 51.5270 19.4230 177.8298 31 D 4.3008 8.8003 118.2905 57.0144 41.0314 176.5192 32 N 4.6320 8.3143 115.5547 52.0147 37.4618 175.4622 33 G 4.1124 8.1937 105.0837 46.6961 0.0000 173.6868 34 K 4.4949 8.0442 115.7607 57.6672 34.7188 176.7786 35 A 4.6721 8.6208 121.7318 52.2520 19.8135 175.1746 36 C 5.2482 8.9768 117.3078 55.2690 40.5994 173.6763 37 I 4.5411 9.0462 125.8904 58.8217 38.7260 173.6663 38 P 4.0157 0.0000 0.0000 63.2011 31.0648 176.9144 39 T 3.9882 8.7788 121.8060 66.3604 69.0694 174.7015 40 G 3.9340 7.2232 107.6479 44.3773 0.0000 170.2601 41 P 4.1864 0.0000 0.0000 63.3885 32.6256 175.6053 42 Y 3.5016 7.7187 117.5635 58.5442 34.7923 168.6684 43 P 4.3978 0.0000 0.0000 61.8522 33.1891 176.9534 44 C 4.1537 8.5681 114.9239 59.8336 29.8594 174.7878 45 G 3.9158 8.8438 108.0819 45.8333 0.0000 173.3578 46 K 4.6417 7.3852 118.2368 54.2392 34.0740 176.3988 47 Q 4.2407 8.4982 122.5178 55.7777 29.4471 175.8118 48 T 4.3199 8.3964 112.0014 61.4071 69.7033 174.5879 49 L 4.5107 8.1765 124.7094 54.6151 42.9848 176.2529 50 E 4.5755 7.9577 121.3743 57.0433 28.8409 175.7699 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 -2 R 8.25 4.33 0.00 1.82 1.98 0.00 3.11 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 -1 K 7.66 4.49 0.00 1.81 1.59 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.52 7.81 0 L 8.99 3.42 0.00 1.99 0.98 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 1 C 9.13 4.44 0.00 3.22 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 2 S 7.92 4.06 0.00 4.05 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.15 4.27 0.00 1.63 1.69 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.23 4.42 0.00 2.89 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.35 4.24 0.00 2.99 2.80 0.00 0.00 7.59 7.95 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 6 G 8.71 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.29 4.57 0.00 2.83 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 8 C 7.76 4.64 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.36 4.54 0.00 2.68 2.59 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 0.00 0.00 0.00 0.00 10 Q 7.20 4.56 0.00 1.51 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.90 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 11 F 7.42 4.60 0.00 3.12 2.88 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 0.00 0.00 0.00 12 C 8.92 5.51 0.00 2.97 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 H 9.39 5.05 0.00 3.27 3.14 0.00 5.84 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.85 5.10 0.00 1.84 1.89 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 2.24 2.32 0.00 15 E 9.34 4.59 0.00 1.94 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 16 Q 9.64 3.53 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 17 N 8.37 4.23 0.00 2.84 2.88 0.00 0.00 6.92 7.63 0.00 0.00 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 S 7.97 4.64 0.00 3.84 3.76 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 19 V 8.27 4.59 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 0.88 0.00 0.00 0.94 0.00 0.00 20 V 9.05 4.47 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 0.86 0.00 0.00 0.95 0.00 0.00 21 C 8.88 5.43 0.00 3.03 3.04 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 0.00 0.00 0.00 22 S 8.61 4.70 0.00 3.98 4.01 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 0.00 0.00 0.00 23 C 8.43 4.70 0.00 2.77 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.36 4.48 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.11 0.00 1.90 1.96 0.00 3.21 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 26 G 9.69 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.64 5.30 0.00 2.88 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 28 T 8.96 4.74 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 29 L 8.68 4.48 0.00 1.67 1.63 0.97 1.10 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 30 A 9.23 4.31 1.35 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 0.00 0.00 0.00 31 D 8.80 4.30 0.00 2.63 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.31 4.63 0.00 2.98 3.01 0.00 0.00 6.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.19 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 4.49 0.00 1.80 1.95 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.64 7.81 35 A 8.62 4.67 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.98 5.25 0.00 2.68 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 9.05 4.54 1.95 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 1.36 0.96 0.90 0.00 0.00 38 P 0.00 4.02 0.00 1.75 1.58 0.00 3.65 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 39 T 8.78 3.99 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 40 G 7.22 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.19 0.00 2.14 1.89 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 42 Y 7.72 3.50 0.00 3.14 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 43 P 0.00 4.40 0.00 1.64 1.60 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.75 0.00 44 C 8.57 4.15 0.00 3.22 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.84 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.39 4.64 0.00 2.04 1.76 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.59 7.81 47 Q 8.50 4.24 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 48 T 8.40 4.32 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 49 L 8.18 4.51 0.00 1.63 1.74 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.96 4.58 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00