NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2763 8.1127 120.8599 56.6094 32.2504 177.3398 2 M 3.8834 7.9154 116.9372 57.4658 32.1634 176.4192 3 K 3.9121 8.1723 119.6569 59.4194 32.8378 177.9020 4 Q 3.9448 8.0421 119.4322 59.3056 28.9512 178.3064 5 I 3.7630 7.6128 120.7469 64.2626 37.1442 178.2410 6 E 3.9700 8.4437 119.7208 59.6547 29.3174 179.2335 7 D 4.3825 8.3455 119.0325 57.1448 40.7487 178.7881 8 K 3.9915 8.2000 120.3475 59.3718 32.1499 178.8854 9 L 3.9679 8.3528 119.8553 57.7176 41.5055 179.1462 10 E 3.9605 8.1176 119.3796 59.0018 29.5061 178.4153 11 E 3.9245 8.1631 119.4198 59.3917 29.7244 178.9400 12 I 3.7107 7.9707 120.1580 64.3480 37.1494 178.5338 13 L 4.1441 8.3953 120.9788 58.5626 40.1662 179.4043 14 S 4.1541 8.1888 116.2704 61.6782 62.8352 176.7854 15 K 4.1024 8.3576 121.2626 59.3517 31.6861 179.7134 16 G 3.5841 8.5546 106.4572 48.1304 0.0000 175.4400 17 H 4.1677 8.5260 119.2511 58.7123 28.6288 177.2909 18 H 4.1467 8.4937 120.0701 59.4313 29.6460 177.1397 19 I 3.6102 8.1508 121.8850 64.7864 36.8759 178.2051 20 C 4.1341 8.2882 117.4170 62.9036 27.9689 175.8677 21 N 4.3142 8.4375 118.2812 56.3486 38.0012 177.3632 22 E 3.9352 8.3610 120.1002 59.4028 29.4935 179.3270 23 L 3.9427 8.2577 119.1678 57.7744 41.6706 179.4987 24 A 3.9676 8.3116 120.9822 54.9195 18.2351 179.7101 25 R 3.8201 8.0000 117.2873 59.7119 30.1743 178.7599 26 I 3.6812 7.9687 119.8429 64.2504 36.8396 178.2659 27 K 3.8899 8.0929 119.7262 59.2703 32.4301 178.4588 28 K 4.0714 8.1064 119.7686 59.6318 32.3125 178.7593 29 L 4.1763 8.0417 119.2564 57.9082 41.3245 179.5548 30 L 4.2136 8.0715 117.8702 57.0360 41.6275 178.9817 31 G 3.8041 7.6735 103.7532 46.0040 0.0000 174.8349 32 E 4.2252 7.8475 120.3988 58.5162 30.0550 176.8105 33 R 4.1567 7.6402 117.9474 56.7883 28.8508 174.2387 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 R 8.11 4.28 0.00 1.86 1.99 0.00 3.14 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 2 M 7.92 3.88 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.71 0.00 3 K 8.17 3.91 0.00 1.95 1.79 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.50 1.07 7.81 4 Q 8.04 3.94 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 5 I 7.61 3.76 2.02 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 1.52 0.59 0.91 0.00 0.00 6 E 8.44 3.97 0.00 2.13 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 2.33 2.54 0.00 7 D 8.35 4.38 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 3.99 0.00 2.00 1.93 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 9 L 8.35 3.97 0.00 1.87 1.71 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.12 3.96 0.00 2.11 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 0.00 2.31 2.36 0.00 11 E 8.16 3.92 0.00 2.10 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 0.00 2.31 2.36 0.00 12 I 7.97 3.71 2.01 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 1.58 0.56 0.91 0.00 0.00 13 L 8.40 4.14 0.00 1.88 1.93 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.19 4.15 0.00 4.14 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 4.10 0.00 2.07 1.88 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.33 7.81 16 G 8.55 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.53 4.17 0.00 3.33 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.49 4.15 0.00 3.25 3.54 0.00 5.80 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 19 I 8.15 3.61 2.02 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 1.51 0.64 0.89 0.00 0.00 20 C 8.29 4.13 0.00 3.14 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 21 N 8.44 4.31 0.00 2.88 2.87 0.00 0.00 7.05 8.46 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 22 E 8.36 3.94 0.00 2.05 1.94 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 2.21 2.32 0.00 23 L 8.26 3.94 0.00 1.81 1.71 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.31 3.97 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 25 R 8.00 3.82 0.00 1.99 2.12 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 26 I 7.97 3.68 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.91 0.00 0.00 27 K 8.09 3.89 0.00 1.81 2.01 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 28 K 8.11 4.07 0.00 1.88 1.92 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 29 L 8.04 4.18 0.00 1.86 1.70 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.07 4.21 0.00 1.61 1.73 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.67 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 32 E 7.85 4.23 0.00 2.15 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 2.32 2.45 0.00 33 R 7.64 4.16 0.00 1.85 1.82 0.00 3.06 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 1.45 1.56 0.00