NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4685 8.2893 120.3300 54.6994 33.4302 174.7154 2 Q 3.8745 8.3394 118.1554 55.1770 28.9562 175.1171 3 K 4.1532 8.6361 120.9255 56.9355 32.0486 176.8669 4 G 4.0582 8.0145 123.0206 45.6900 0.0000 171.1490 5 N 4.9747 8.1932 118.5017 50.7453 39.0875 174.2661 6 F 4.7599 8.4098 114.1378 58.1978 40.8944 175.7823 7 R 4.0340 5.8400 121.0916 54.5748 28.1744 174.3264 8 N 4.1365 7.5608 115.9498 52.3181 37.7735 174.2402 9 Q 4.2583 7.3640 129.9608 57.1987 33.8597 174.9958 10 R 4.0133 7.6118 113.5469 56.3531 30.3895 176.4729 11 K 4.0883 8.1319 114.9769 56.8274 33.3060 176.9603 12 T 3.0740 8.7884 109.8184 63.9684 69.3766 171.8641 13 V 3.5054 8.2067 112.2543 62.5398 30.7522 171.5573 14 K 4.5079 7.6135 115.7752 55.7195 35.2866 174.7065 15 C 4.2233 8.4330 122.4043 58.7831 31.3614 173.5286 16 F 4.7801 8.6766 125.3420 57.7892 38.7512 175.6659 17 N 4.7608 8.2100 120.5113 54.7338 39.9470 175.1407 18 C 4.4755 8.2568 110.6019 58.3614 31.2303 174.6194 19 G 3.9102 8.3720 107.4598 44.9249 0.0000 172.4160 20 K 4.3938 7.8683 121.1094 53.7796 33.3513 175.2604 21 E 4.1947 8.4915 125.2604 55.7929 30.6384 174.8697 22 G 3.7348 7.7682 117.2021 43.1945 0.0000 172.8120 23 H 5.1405 7.6854 114.3707 53.0993 31.5524 172.0015 24 I 4.6772 7.9913 110.9501 57.5798 40.3174 176.3493 25 A 4.0097 8.5067 122.9943 55.1687 18.2916 179.8448 26 K 4.0816 8.1196 115.4088 58.6581 32.4623 176.9854 27 N 4.8346 7.9806 114.6177 52.9688 39.1390 173.9525 28 C 4.3376 8.0947 120.8472 59.2366 31.2855 174.1646 29 R 4.2842 8.5641 125.3418 56.9049 29.9023 177.0745 30 A 4.5477 7.2474 120.6873 49.2584 18.7454 174.2359 31 P 4.6043 0.0000 0.0000 62.2142 33.0135 176.0871 32 R 4.3532 8.5453 113.6849 55.8923 32.4256 178.4846 33 K 3.4909 10.2453 118.9997 57.2677 33.5012 175.6376 34 K 3.8895 9.3008 110.2474 57.1884 32.2123 175.1518 35 G 3.8056 7.9991 107.2822 44.8899 0.0000 173.3432 36 C 3.8396 8.6980 125.0165 60.1737 31.5170 173.6356 37 W 4.5523 8.9004 126.1896 56.6029 28.9354 176.6550 38 K 4.4437 8.1855 120.9059 57.5171 32.8867 176.6586 39 C 4.5053 8.2291 110.7219 57.6132 31.1666 174.6441 40 G 3.6209 8.0900 108.2791 44.5527 0.0000 172.7575 41 K 3.7263 7.7819 120.6138 56.7102 31.8699 176.1787 42 E 4.1948 8.3300 128.5703 53.9502 27.9157 174.9624 43 G 3.9907 7.1839 116.6351 47.2090 0.0000 172.1000 44 H 4.6583 7.9236 115.5667 54.1545 30.1247 173.5089 45 Q 4.8146 8.0999 117.9509 53.8494 32.3512 176.2086 46 M 4.0498 8.6422 117.0902 58.9123 32.2363 178.2035 47 K 4.0624 8.0918 118.1082 58.5510 32.5281 176.6695 48 D 4.7929 7.9975 116.6532 53.9331 41.9170 175.1599 49 C 4.1100 8.0194 121.8958 58.4787 30.9987 173.8880 50 T 4.2661 8.2532 116.7549 62.0897 68.8807 174.3678 51 E 4.4833 7.4148 121.0935 55.6526 30.7920 174.6238 52 R 4.3908 8.4804 119.7047 57.5392 32.7264 176.0815 53 Q 4.4468 7.4075 114.5289 54.8091 28.9331 173.5336 54 A 4.0248 7.8416 128.1649 52.8638 17.7936 177.9965 55 N 4.4071 8.1123 115.3212 53.8878 38.5900 175.0480 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 8.29 4.47 0.00 2.03 2.11 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 2.52 2.61 0.00 2 Q 8.34 3.87 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 7.18 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 3 K 8.64 4.15 0.00 1.73 1.82 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.51 7.81 4 G 8.01 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 0.00 0.00 0.00 5 N 8.19 4.97 0.00 2.80 2.84 0.00 0.00 5.78 7.46 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 6 F 8.41 4.76 0.00 3.11 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 R 5.84 4.03 0.00 0.67 1.49 0.00 3.48 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.73 0.00 8 N 7.56 4.14 0.00 2.73 2.66 0.00 0.00 6.99 7.66 0.00 0.00 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 Q 7.36 4.26 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 10 R 7.61 4.01 0.00 1.93 1.93 0.00 3.08 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 11 K 8.13 4.09 0.00 1.84 1.96 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.38 7.81 12 T 8.79 3.07 4.31 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 1.26 0.00 0.00 13 V 8.21 3.51 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 0.87 0.00 0.00 1.05 0.00 0.00 14 K 7.61 4.51 0.00 1.62 1.62 0.00 0.61 0.00 0.00 1.01 0.00 0.00 2.82 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.86 0.53 7.81 15 C 8.43 4.22 0.00 2.18 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 16 F 8.68 4.78 0.00 3.08 2.95 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 17 N 8.21 4.76 0.00 2.71 2.86 0.00 0.00 7.03 7.72 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 18 C 8.26 4.48 0.00 3.12 3.05 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 0.00 0.00 0.00 19 G 8.37 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 0.00 0.00 0.00 20 K 7.87 4.39 0.00 1.87 1.76 0.00 1.61 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.46 7.81 21 E 8.49 4.19 0.00 2.06 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 2.24 2.28 0.00 22 G 7.77 3.73 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 0.00 23 H 7.69 5.14 0.00 3.22 3.26 0.00 5.48 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.99 4.68 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.29 0.93 0.00 0.00 25 A 8.51 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.08 0.00 1.75 1.89 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.55 7.81 27 N 7.98 4.83 0.00 2.75 2.83 0.00 0.00 6.93 7.19 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 28 C 8.09 4.34 0.00 3.08 2.92 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 29 R 8.56 4.28 0.00 1.78 1.93 0.00 3.22 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 30 A 7.25 4.55 1.24 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 0.00 0.00 0.00 31 P 0.00 4.60 0.00 2.21 2.12 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 32 R 8.55 4.35 0.00 1.92 1.94 0.00 3.21 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 33 K 10.25 3.49 0.00 2.06 1.59 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.46 7.81 34 K 9.30 3.89 0.00 2.00 2.05 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.44 7.81 35 G 8.00 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.70 3.84 0.00 3.03 2.86 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 0.00 0.00 0.00 37 W 8.90 4.55 0.00 3.29 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.19 4.44 0.00 1.77 1.86 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.44 7.81 39 C 8.23 4.51 0.00 3.11 3.05 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 0.00 0.00 0.00 40 G 8.09 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.78 3.73 0.00 1.73 1.27 0.00 1.60 0.00 0.00 1.93 0.00 0.00 3.10 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.42 7.81 42 E 8.33 4.19 0.00 2.04 1.85 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 2.20 2.25 0.00 43 G 7.18 3.99 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 0.00 0.00 0.00 44 H 7.92 4.66 0.00 3.25 3.33 0.00 5.49 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.10 4.81 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 46 M 8.64 4.05 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 47 K 8.09 4.06 0.00 1.77 1.84 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 48 D 8.00 4.79 0.00 2.86 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 49 C 8.02 4.11 0.00 3.08 2.95 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 50 T 8.25 4.27 4.22 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 1.17 0.00 0.00 51 E 7.41 4.48 0.00 2.06 1.92 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 2.38 2.31 0.00 52 R 8.48 4.39 0.00 1.73 1.89 0.00 3.18 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 53 Q 7.41 4.45 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 54 A 7.84 4.02 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 55 N 8.11 4.41 0.00 2.70 2.80 0.00 0.00 6.74 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00