NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3997 8.2893 118.1956 54.9891 32.7319 175.0318 2 T 4.0262 8.1450 110.7998 60.5302 70.9796 174.3062 3 K 3.9591 9.1663 121.5442 59.7385 32.5696 180.9072 4 Q 3.9866 7.9063 117.8580 58.9098 28.5972 178.4395 5 E 3.5252 7.9118 119.5646 58.9037 29.2619 179.2629 6 K 3.9680 8.0252 119.7977 59.6876 32.1737 178.9720 7 T 3.8375 7.9681 115.8213 66.7092 68.3433 176.4783 8 A 4.0505 7.8944 122.1577 55.0480 18.3597 179.4732 9 L 4.1097 8.4480 119.2265 58.4135 42.2201 179.0031 10 N 4.4329 8.5847 116.7828 56.4585 38.4112 177.0711 11 M 4.1286 8.4636 119.6558 58.6786 32.3655 178.1342 12 A 4.0629 8.4311 121.1256 55.1202 18.5463 179.5741 13 R 3.2283 8.3569 117.3677 59.2714 30.0581 178.5626 14 F 4.1742 8.3527 120.3937 61.4717 39.3828 177.1580 15 I 3.4824 8.0717 119.6440 64.2565 36.8938 178.4124 16 R 3.8506 7.9727 119.8603 59.3153 29.8750 178.7841 17 S 4.0487 7.8966 114.1460 61.6086 62.9859 176.5627 18 Q 3.8177 7.9342 122.2310 58.5643 27.8142 178.7368 19 T 3.8568 8.0386 111.0528 64.3767 68.8355 176.6574 20 L 3.7435 7.7008 122.9182 58.1870 42.0874 179.0049 21 T 3.8056 7.7748 115.7645 66.5398 68.2825 176.4333 22 L 3.9153 8.0740 122.3962 57.9045 42.0594 178.5935 23 L 3.9028 8.0149 120.4086 58.2820 41.9169 178.8784 24 E 3.9316 8.2825 118.4243 59.2923 29.1551 179.5129 25 K 3.9501 7.7682 117.4900 59.5636 32.3619 179.2098 26 L 4.1424 8.2293 119.4750 57.7067 41.4670 179.3386 27 N 4.3952 8.4084 116.8204 56.2324 38.2676 177.3261 28 E 4.0627 8.2395 119.2201 58.8983 29.6942 178.4821 29 L 4.1658 7.7978 116.9997 53.7455 42.3087 177.9305 30 A 3.6171 8.4661 123.4192 52.9816 18.1504 180.7616 31 D 4.3684 8.7934 117.9889 59.5947 40.7328 178.1689 32 A 4.0828 7.6773 120.9324 54.2048 18.6057 177.6111 33 A 4.9971 8.4270 118.4247 49.9464 20.3499 178.0469 34 D 4.3372 8.1258 121.6316 58.3999 39.3124 177.6992 35 E 3.9207 8.1246 120.7831 58.8295 29.1754 178.6250 36 Q 3.9899 8.0510 117.4108 58.8708 28.8740 178.3617 37 A 4.0631 8.4427 122.2883 55.1505 17.8622 179.4916 38 D 4.3167 8.1200 117.5129 57.5173 40.8469 179.0491 39 I 3.7325 7.8872 120.3698 64.5920 37.1360 178.1480 40 C 4.1266 8.4040 119.6741 62.0255 31.2830 175.1971 41 E 3.9098 8.2624 121.3132 59.4000 29.2871 178.8183 42 S 4.1187 7.7891 112.4318 61.0835 62.3351 175.7588 43 L 3.9716 8.0754 123.3139 58.4560 41.7694 178.4996 44 H 4.2485 8.6034 119.8845 58.9140 29.7488 176.9886 45 D 4.2651 8.1800 120.7618 57.5478 40.5917 178.2859 46 H 4.1855 8.3405 118.7066 59.0395 29.8111 177.2482 47 A 4.0203 8.3284 123.2034 55.0505 18.1880 179.1318 48 D 4.2875 8.3160 116.8997 57.3798 41.2945 178.0206 49 E 3.9118 8.3958 120.0178 59.1372 29.5464 178.5356 50 L 3.9272 7.9896 120.3162 58.3010 42.1152 178.2722 51 Y 4.1581 8.1864 119.4291 60.9867 38.7593 178.3554 52 R 3.5700 8.1455 118.9458 59.0072 30.0975 179.0581 53 S 3.9489 8.1224 113.0833 61.5102 62.3795 176.0292 54 C 3.3717 8.0740 119.6995 62.3911 27.7619 175.8807 55 L 3.7654 7.7418 121.9073 57.9638 41.3892 178.9360 56 A 3.8804 7.6393 119.8024 55.0345 18.3717 179.3259 57 R 3.9159 7.5621 116.3044 59.0855 30.2592 177.9641 58 F 4.9828 7.9069 115.6852 59.3616 39.9290 176.2784 59 G 3.8352 8.3091 107.0101 46.2021 0.0000 173.1731 60 D 4.2154 8.3461 108.9324 53.4786 38.7625 174.1520 61 D 4.2681 7.8736 122.9245 54.8214 41.7926 176.7893 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 4.40 0.00 2.42 2.26 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 2 T 8.14 4.03 4.17 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 0.00 0.00 0.00 1.15 0.00 0.00 3 K 9.17 3.96 0.00 1.76 1.87 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.46 7.81 4 Q 7.91 3.99 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 5 E 7.91 3.53 0.00 1.87 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.80 0.00 6 K 8.03 3.97 0.00 1.90 1.95 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.51 7.81 7 T 7.97 3.84 4.40 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 1.21 0.00 0.00 8 A 7.89 4.05 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.45 4.11 0.00 2.12 2.00 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.58 4.43 0.00 3.03 2.88 0.00 0.00 6.65 8.25 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 11 M 8.46 4.13 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.67 0.00 12 A 8.43 4.06 1.59 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 0.00 0.00 13 R 8.36 3.23 0.00 1.94 2.11 0.00 3.11 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.07 0.00 14 F 8.35 4.17 0.00 3.10 3.22 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 15 I 8.07 3.48 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 0.88 0.00 0.00 16 R 7.97 3.85 0.00 1.80 1.87 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 17 S 7.90 4.05 0.00 4.01 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 18 Q 7.93 3.82 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.85 0.00 0.00 0.00 0.00 0.00 1.33 1.48 0.00 19 T 8.04 3.86 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 1.20 0.00 0.00 20 L 7.70 3.74 0.00 1.63 1.75 0.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.77 3.81 4.32 0.00 0.00 0.00 0.00 0.00 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 22 L 8.07 3.92 0.00 1.70 1.75 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.01 3.90 0.00 1.85 1.78 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.28 3.93 0.00 2.21 1.95 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 2.29 2.47 0.00 25 K 7.77 3.95 0.00 1.85 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.71 7.81 26 L 8.23 4.14 0.00 1.66 1.70 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.41 4.40 0.00 2.88 2.85 0.00 0.00 6.94 7.34 0.00 0.00 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 E 8.24 4.06 0.00 2.10 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 2.34 2.48 0.00 29 L 7.80 4.17 0.00 1.78 1.69 0.91 1.11 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 30 A 8.47 3.62 1.09 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 0.00 0.00 31 D 8.79 4.37 0.00 2.79 2.73 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 32 A 7.68 4.08 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 33 A 8.43 5.00 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 34 D 8.13 4.34 0.00 2.87 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 35 E 8.12 3.92 0.00 2.05 1.98 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 2.38 2.40 0.00 36 Q 8.05 3.99 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 37 A 8.44 4.06 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 38 D 8.12 4.32 0.00 2.93 2.73 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 39 I 7.89 3.73 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.91 0.00 0.00 40 C 8.40 4.13 0.00 3.09 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 41 E 8.26 3.91 0.00 2.28 2.12 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 2.31 2.38 0.00 42 S 7.79 4.12 0.00 3.96 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 43 L 8.08 3.97 0.00 1.90 1.86 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.60 4.25 0.00 3.22 3.44 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.18 4.27 0.00 2.89 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 46 H 8.34 4.19 0.00 3.41 3.41 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.33 4.02 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 48 D 8.32 4.29 0.00 2.72 2.81 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 49 E 8.40 3.91 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 50 L 7.99 3.93 0.00 1.85 1.87 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.19 4.16 0.00 3.05 3.12 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 52 R 8.15 3.57 0.00 1.85 1.87 0.00 3.19 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 53 S 8.12 3.95 0.00 3.91 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 54 C 8.07 3.37 0.00 3.01 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.74 3.77 0.00 1.27 1.47 0.84 0.99 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 56 A 7.64 3.88 1.26 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 0.00 0.00 0.00 57 R 7.56 3.92 0.00 1.60 1.30 0.00 3.20 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 58 F 7.91 4.98 0.00 3.02 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 59 G 8.31 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.35 4.22 0.00 2.70 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.87 4.27 0.00 2.74 2.57 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 0.00 0.00 0.00 0.00