NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1699 8.2644 123.5824 51.9564 20.6570 174.9895 2 R 3.9060 8.0308 117.5073 56.9198 31.0902 174.0342 3 Q 3.2839 10.0582 122.6091 57.1868 26.9046 173.1744 4 E 3.8343 8.2729 117.4874 56.0864 28.9777 175.5186 5 N 4.8757 8.0954 116.3808 51.4930 39.4804 170.4924 6 P 4.2842 0.0000 0.0000 62.6950 32.0606 176.4949 7 C 4.9646 8.5620 118.9369 55.2752 44.3473 173.9861 8 G 3.9462 8.2612 109.4825 42.7272 0.0000 170.9595 9 P 4.4509 0.0000 0.0000 61.9913 32.0614 177.7958 10 C 4.3479 8.7160 120.4941 60.0900 40.4290 174.8250 11 S 4.1712 7.0997 112.0319 57.4357 62.5999 172.7416 12 E 3.9044 7.8112 120.1682 58.4776 29.6608 177.7104 13 R 4.3937 7.4949 118.9895 58.1736 34.0118 177.1707 14 R 4.3329 7.7051 116.1489 55.4637 29.0962 176.6135 15 K 4.5269 7.3854 112.2258 57.2578 33.7779 179.4750 16 H 4.2147 8.5172 118.4357 60.1080 29.2341 176.6168 17 L 4.7361 7.9135 118.6085 54.8517 41.8199 176.3292 18 F 5.3896 8.0863 114.6550 56.1617 43.6128 175.1677 19 V 4.7205 9.0684 112.8757 59.9932 36.1433 174.4452 20 Q 4.8899 8.3694 122.4736 54.2849 32.9345 173.2941 21 D 4.6918 9.0871 127.0713 53.0736 42.2696 174.7267 22 P 5.0125 0.0000 0.0000 62.9565 31.8910 176.4272 23 Q 4.4599 8.1015 116.7719 58.6403 32.1161 176.6707 24 T 4.2483 8.5960 106.3634 61.0951 69.7398 174.9195 25 C 4.2723 8.2464 118.2470 57.7664 39.3263 172.8779 26 K 4.3675 7.4318 120.1064 56.6142 32.6534 175.5244 27 C 5.2988 8.7720 121.9465 55.9071 41.5444 173.3034 28 S 4.9113 8.9933 117.3981 56.8641 67.3238 172.8969 29 C 4.2266 8.6726 120.5473 56.6213 40.0724 173.8795 30 K 3.8503 8.4376 125.0747 58.7547 32.6011 176.2712 31 N 4.6578 7.9194 118.7916 52.0329 39.5853 173.9115 32 T 4.5018 7.9487 115.8326 59.8998 71.2164 175.1940 33 D 4.3499 8.4615 121.0297 57.3314 41.0958 178.4777 34 S 4.1181 8.0931 115.5416 61.7556 62.7120 176.7603 35 R 3.9186 7.8062 119.9635 59.3651 29.7320 178.3878 36 C 4.2333 8.1231 115.8199 59.9919 41.3636 175.9022 37 K 3.8943 8.4654 121.2629 59.5848 31.5510 178.6371 38 A 4.0401 7.9841 119.7205 54.3774 18.2659 178.7434 39 R 4.3175 7.3428 114.3184 54.9618 31.2859 176.2192 40 Q 3.4813 8.1422 116.4598 56.9643 26.3346 171.7784 41 L 4.9436 8.1050 115.8507 53.4671 46.9084 176.8339 42 E 4.9071 8.9616 117.9609 54.5087 33.7984 175.2762 43 L 4.5179 8.8765 124.7716 54.8031 43.2238 176.1852 44 N 4.6942 9.0282 125.9173 52.3531 38.7311 175.4022 45 E 4.0466 8.8637 126.3908 58.5605 30.0331 179.2838 46 R 4.1096 8.0158 118.0941 59.2270 30.2604 177.6619 47 T 4.2197 7.8696 108.8740 61.6491 68.5229 174.5440 48 C 4.2303 8.2589 118.0238 58.7863 38.7203 172.2823 49 R 4.8532 7.1785 117.1356 54.4558 34.8858 176.9046 50 C 5.0998 8.7135 118.8771 56.3110 42.5125 172.7073 51 D 5.0545 8.9518 122.9827 50.6475 42.9498 175.3923 52 K 4.1209 8.6444 117.9647 56.1040 31.7706 175.0844 53 P 4.3591 0.0000 0.0000 64.4022 32.3257 177.1594 54 R 4.7218 7.1965 119.5597 54.4639 31.1982 175.3952 55 R 4.2187 7.5770 120.8475 56.3079 31.1417 175.6210 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 A 8.26 4.17 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 3.91 0.00 2.05 1.99 0.00 3.39 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 3 Q 10.06 3.28 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 5.84 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 4 E 8.27 3.83 0.00 2.12 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 2.20 2.22 0.00 5 N 8.10 4.88 0.00 2.64 2.69 0.00 0.00 6.92 7.88 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 6 P 0.00 4.28 0.00 2.07 1.99 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 7 C 8.56 4.96 0.00 2.88 2.93 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 8 G 8.26 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 9 P 0.00 4.45 0.00 1.95 1.93 0.00 3.69 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 10 C 8.72 4.35 0.00 2.86 3.09 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 0.00 0.00 0.00 11 S 7.10 4.17 0.00 3.40 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 12 E 7.81 3.90 0.00 1.93 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 2.27 2.26 0.00 13 R 7.49 4.39 0.00 1.71 1.86 0.00 3.19 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 14 R 7.71 4.33 0.00 1.86 2.05 0.00 3.23 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 15 K 7.39 4.53 0.00 1.70 1.75 0.00 1.45 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.42 7.81 16 H 8.52 4.21 0.00 3.20 3.47 0.00 5.88 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.91 4.74 0.00 1.50 1.52 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.09 5.39 0.00 2.96 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 19 V 9.07 4.72 2.11 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 0.79 0.00 0.00 0.99 0.00 0.00 20 Q 8.37 4.89 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.08 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 21 D 9.09 4.69 0.00 2.86 2.55 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 22 P 0.00 5.01 0.00 2.22 2.11 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 23 Q 8.10 4.46 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 24 T 8.60 4.25 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 1.21 0.00 0.00 25 C 8.25 4.27 0.00 3.17 3.23 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 0.00 0.00 0.00 0.00 26 K 7.43 4.37 0.00 1.87 1.74 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.43 7.81 27 C 8.77 5.30 0.00 2.93 3.13 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 0.00 0.00 0.00 28 S 8.99 4.91 0.00 3.73 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.67 4.23 0.00 2.65 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 3.85 0.00 1.80 1.77 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.38 7.81 31 N 7.92 4.66 0.00 2.62 2.73 0.00 0.00 7.11 7.67 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 32 T 7.95 4.50 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 33 D 8.46 4.35 0.00 2.79 2.69 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 34 S 8.09 4.12 0.00 3.89 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 35 R 7.81 3.92 0.00 1.93 1.95 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 36 C 8.12 4.23 0.00 3.10 3.19 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 0.00 0.00 0.00 0.00 37 K 8.47 3.89 0.00 1.85 1.96 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 38 A 7.98 4.04 1.38 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 0.00 0.00 39 R 7.34 4.32 0.00 1.85 1.95 0.00 3.31 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 40 Q 8.14 3.48 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 41 L 8.10 4.94 0.00 1.56 1.68 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.96 4.91 0.00 1.86 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 43 L 8.88 4.52 0.00 1.60 1.54 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 44 N 9.03 4.69 0.00 2.97 2.82 0.00 0.00 6.91 8.17 0.00 0.00 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 E 8.86 4.05 0.00 2.01 2.01 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 2.30 2.33 0.00 46 R 8.02 4.11 0.00 1.88 2.02 0.00 3.16 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 47 T 7.87 4.22 4.27 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 1.25 0.00 0.00 48 C 8.26 4.23 0.00 2.77 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.18 4.85 0.00 1.70 1.75 0.00 3.11 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 50 C 8.71 5.10 0.00 2.84 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 51 D 8.95 5.05 0.00 2.64 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.64 4.12 0.00 1.76 1.80 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.44 7.81 53 P 0.00 4.36 0.00 2.17 2.06 0.00 3.77 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 1.98 2.07 0.00 54 R 7.20 4.72 0.00 1.74 1.82 0.00 3.34 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 1.51 1.59 0.00 55 R 7.58 4.22 0.00 1.77 1.73 0.00 3.45 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00