NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2973 8.2493 123.5819 50.9687 19.7672 176.5585 7 P 4.3171 0.0000 0.0000 61.3802 31.8767 174.6094 8 D 4.8239 9.3105 124.1937 51.9634 43.1963 177.3004 9 F 4.0344 8.9717 119.2243 62.4965 39.0689 177.4923 10 H 4.4760 8.2139 115.1208 58.9329 28.3443 177.4697 11 D 4.3094 8.0827 119.7200 57.1859 40.7497 178.7430 12 K 3.7733 7.6191 117.6953 59.0148 32.3082 178.2683 13 Y 4.7369 7.8927 114.5492 57.2709 39.0867 177.7489 14 G 3.9843 8.0896 108.0686 48.4409 0.0000 175.2084 15 N 4.3261 8.2578 118.5610 55.6758 38.5027 177.3316 16 A 3.9690 7.9194 121.4203 55.2526 18.6699 179.5901 17 V 3.5534 8.0309 116.9915 66.0117 31.4666 178.0217 18 L 3.9314 8.2061 119.7917 58.0564 42.0067 178.7218 19 A 4.0062 8.0179 120.8707 55.4128 18.3946 179.8667 20 S 4.3483 8.5277 112.8406 60.9924 63.1652 176.9485 21 G 3.6035 8.2044 109.6016 47.8191 0.0000 175.6056 22 A 4.1039 8.2773 124.1383 55.0266 18.3669 179.9247 23 T 3.8672 8.0386 114.2701 66.6932 68.5706 176.7632 24 F 4.2412 8.5635 122.7385 61.3869 39.4507 176.5064 25 C 4.0724 8.3165 118.2613 62.6977 31.4342 175.6705 26 V 3.6437 7.8820 119.4274 65.8917 31.0872 177.8257 27 A 4.0190 8.0255 120.6306 55.3207 18.2883 180.1109 28 V 3.5281 7.6550 117.5876 64.5829 31.3187 178.6424 29 W 3.8681 8.3107 119.7457 59.4631 29.0558 178.7003 30 V 3.6815 8.1475 118.3394 66.0255 30.8588 177.5066 31 Y 4.0271 8.2462 119.3322 60.9637 38.4887 177.5692 32 M 3.8585 8.1260 117.6597 58.6778 32.3675 177.7803 33 A 4.6898 8.3202 120.2383 54.3104 18.7219 177.9501 34 T 4.5826 7.8247 103.7915 61.3795 70.0734 174.4484 35 Q 4.4040 8.1646 119.9757 55.6123 29.8037 175.7281 36 I 4.2000 7.5839 110.0755 60.3393 37.9387 175.9194 37 G 3.7990 8.2527 107.2785 46.2052 0.0000 173.7322 38 I 3.5043 7.4403 120.2525 60.5519 37.4357 175.2782 39 E 4.2849 8.2709 126.6383 54.6693 29.2401 175.6519 40 W 4.2192 8.7300 126.9767 57.2291 30.2079 176.0345 41 N 4.1531 8.4783 116.4105 53.9461 36.7011 170.7224 42 P 4.6105 0.0000 0.0000 61.6642 33.1313 176.6499 43 S 4.2203 8.3336 113.3050 57.8675 62.8315 172.5031 44 P 4.3039 0.0000 0.0000 64.8724 31.4923 176.4310 45 V 3.6705 7.2515 117.8669 64.5372 31.2921 176.3754 46 G 4.0462 9.0513 115.2489 45.5917 0.0000 173.4783 47 R 4.4193 8.3046 114.9070 56.3290 31.4979 176.2404 48 V 4.1596 7.6241 116.7586 61.2791 32.8903 174.8016 49 T 4.4109 8.2191 123.3450 61.1443 69.0049 173.0314 50 P 4.2936 0.0000 0.0000 62.7502 31.8328 175.7441 51 K 4.6589 8.3880 123.4967 53.8967 34.6765 175.3604 52 E 4.0601 8.8506 124.5664 56.8413 29.8449 176.8953 53 W 4.6926 8.0164 118.5896 57.0049 30.5365 175.4372 54 R 3.4874 6.2833 122.4592 56.0612 29.3400 175.6667 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 6 A 8.25 4.30 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 7 P 0.00 4.32 0.00 2.19 2.04 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 8 D 9.31 4.82 0.00 2.90 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 9 F 8.97 4.03 0.00 3.21 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 10 H 8.21 4.48 0.00 3.40 3.43 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.08 4.31 0.00 2.72 2.68 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 12 K 7.62 3.77 0.00 0.94 0.74 0.00 1.41 0.00 0.00 1.35 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.15 1.37 7.81 13 Y 7.89 4.74 0.00 2.22 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 14 G 8.09 3.98 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 0.00 0.00 0.00 15 N 8.26 4.33 0.00 2.74 2.90 0.00 0.00 6.86 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 16 A 7.92 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 3.55 2.32 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 1.08 0.00 0.00 1.10 0.00 0.00 18 L 8.21 3.93 0.00 1.92 1.84 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.02 4.01 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 20 S 8.53 4.35 0.00 4.07 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.20 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.28 4.10 1.39 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 0.00 0.00 0.00 23 T 8.04 3.87 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 24 F 8.56 4.24 0.00 3.17 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.32 4.07 0.00 3.33 3.15 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 0.00 0.00 0.00 26 V 7.88 3.64 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 0.99 0.00 0.00 0.97 0.00 0.00 27 A 8.03 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 28 V 7.65 3.53 1.57 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 0.39 0.00 0.00 0.69 0.00 0.00 29 W 8.31 3.87 0.00 3.55 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 3.68 2.24 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 1.05 0.00 0.00 1.01 0.00 0.00 31 Y 8.25 4.03 0.00 3.03 3.06 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 32 M 8.13 3.86 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 33 A 8.32 4.69 1.55 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 0.00 0.00 34 T 7.82 4.58 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 1.25 0.00 0.00 35 Q 8.16 4.40 0.00 0.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.13 0.00 0.00 0.00 0.00 0.00 2.11 2.34 0.00 36 I 7.58 4.20 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.53 0.70 0.00 0.00 37 G 8.25 3.80 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 0.00 0.00 0.00 38 I 7.44 3.50 1.58 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.37 -0.37 0.00 0.00 39 E 8.27 4.28 0.00 1.83 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 40 W 8.73 4.22 0.00 3.33 3.25 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 0.00 41 N 8.48 4.15 0.00 2.80 2.84 0.00 0.00 7.20 7.26 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 42 P 0.00 4.61 0.00 2.24 2.10 0.00 3.90 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 2.02 2.00 0.00 43 S 8.33 4.22 0.00 3.86 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 44 P 0.00 4.30 0.00 2.22 2.08 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 45 V 7.25 3.67 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 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.05 4.05 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 0.00 0.00 0.00 47 R 8.30 4.42 0.00 1.85 2.01 0.00 3.07 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 48 V 7.62 4.16 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 0.86 0.00 0.00 0.94 0.00 0.00 49 T 8.22 4.41 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 50 P 0.00 4.29 0.00 2.08 2.06 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 51 K 8.39 4.66 0.00 1.71 1.70 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.45 7.81 52 E 8.85 4.06 0.00 1.97 1.79 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 2.31 2.22 0.00 53 W 8.02 4.69 0.00 3.55 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 54 R 6.28 3.49 0.00 0.67 1.12 0.00 3.20 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.94 0.00