NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.0507 8.4449 117.8128 55.5333 29.9325 175.8219 3 Y 4.7586 8.4667 126.4986 55.9229 41.3136 171.3003 4 E 4.1810 9.5404 121.7560 56.7039 30.9461 176.0939 5 E 4.6298 8.7066 120.4436 54.7878 33.3328 175.9168 6 G 3.9445 8.6860 105.3321 44.0525 0.0000 171.1211 7 P 4.1917 0.0000 0.0000 64.3042 31.4135 177.4591 8 G 3.8875 8.8988 110.1981 45.6907 0.0000 173.7167 9 K 4.4273 8.1010 117.5668 56.0210 33.5551 176.2540 10 N 4.9375 7.8895 116.1562 52.2686 37.8884 174.5039 11 I 4.4297 7.1050 110.3738 59.2046 40.4878 173.2853 12 P 4.3441 0.0000 0.0000 63.6569 31.6324 175.7357 13 F 4.9563 6.7123 113.1578 54.9234 40.7612 174.0951 14 S 4.6402 8.5348 115.7522 57.4198 63.2967 174.1569 15 V 4.5356 8.0117 119.2813 61.1444 32.4626 176.7661 16 E 3.9797 8.1671 123.3431 58.2636 29.7599 176.9332 17 N 4.9304 7.8831 117.4553 51.0570 41.4493 174.8176 18 K 3.7904 8.4813 128.2946 59.5281 32.5979 178.7758 19 W 4.4812 7.8186 119.6225 59.0716 29.2699 178.4201 20 R 3.9997 8.3812 118.9981 59.1934 29.4626 178.2307 21 L 3.9213 8.3074 120.6749 58.1528 42.0600 178.7145 22 L 3.9322 7.9869 120.0356 57.9820 41.9866 178.8766 23 A 4.0346 7.9996 120.2985 55.3613 18.3055 179.2677 24 M 3.9770 8.1849 117.2581 59.1141 32.0903 178.9488 25 M 4.1438 8.3323 118.8098 58.8181 32.1409 179.0814 26 T 4.0154 8.2295 115.9417 66.5479 68.5837 176.8526 27 L 4.0325 8.1129 120.9284 58.1462 41.5965 178.6533 28 F 4.0420 8.6348 120.8959 61.8570 39.1930 177.1523 29 F 4.2796 8.8969 117.2118 60.3952 38.8946 178.2036 30 G 3.7831 8.5386 105.8958 47.6917 0.0000 175.9605 31 S 4.2731 8.4252 116.9204 61.1103 62.7772 176.8549 32 G 3.5389 7.5070 108.5337 47.5878 0.0000 175.2124 33 F 4.3333 8.2680 122.0456 60.7049 39.7552 176.6875 34 A 4.4669 8.6077 120.4507 54.5697 18.3108 179.0727 35 A 4.0455 8.1301 119.7106 55.3951 18.4153 178.1148 36 P 4.1010 0.0000 0.0000 65.6516 31.3402 178.8830 37 F 3.9953 7.7922 116.1020 60.6024 38.7985 177.7677 38 F 4.0907 8.2958 116.7715 60.2016 38.7308 177.8282 39 I 3.8756 7.9971 119.9269 64.1982 36.9139 178.5266 40 V 3.5559 7.8806 119.2257 65.8515 31.3557 178.0606 41 R 3.8428 8.0639 118.4974 59.5530 30.0743 177.7556 42 H 4.1234 8.5013 118.4406 59.7310 29.6482 177.2720 43 Q 4.0545 8.2435 118.4546 58.8400 27.3481 178.4643 44 L 4.1618 8.0494 120.1193 57.1779 41.5110 178.5131 45 L 3.9166 7.7689 116.4763 55.6461 41.8975 178.3413 46 K 4.1864 7.5018 117.5821 56.3371 32.4084 176.5315 47 K 3.9413 7.0601 124.0398 57.1902 34.0891 173.7263 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 2 H 8.44 4.05 0.00 3.07 2.35 0.00 5.80 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.47 4.76 0.00 3.04 2.78 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 0.00 0.00 0.00 4 E 9.54 4.18 0.00 1.98 1.89 0.00 0.00 0.00 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 2.29 0.00 5 E 8.71 4.63 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.45 0.00 6 G 8.69 3.94 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 0.00 0.00 0.00 7 P 0.00 4.19 0.00 2.03 2.02 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 8 G 8.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.10 4.43 0.00 1.79 1.80 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.62 7.81 10 N 7.89 4.94 0.00 2.76 2.84 0.00 0.00 5.84 7.81 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 11 I 7.11 4.43 0.57 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.28 0.62 0.00 0.00 12 P 0.00 4.34 0.00 2.19 2.14 0.00 3.43 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 13 F 6.71 4.96 0.00 3.04 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 14 S 8.53 4.64 0.00 3.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 4.54 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 0.97 0.00 0.00 0.90 0.00 0.00 16 E 8.17 3.98 0.00 1.90 1.99 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 2.33 2.30 0.00 17 N 7.88 4.93 0.00 2.79 2.67 0.00 0.00 6.94 6.75 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 18 K 8.48 3.79 0.00 1.51 1.74 0.00 1.04 0.00 0.00 1.14 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.80 0.21 7.81 19 W 7.82 4.48 0.00 3.66 3.31 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 20 R 8.38 4.00 0.00 2.11 2.05 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 21 L 8.31 3.92 0.00 1.82 1.71 0.95 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.99 3.93 0.00 1.91 1.95 0.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.00 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 M 8.18 3.98 0.00 1.92 2.21 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 2.63 2.96 0.00 25 M 8.33 4.14 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.44 0.00 26 T 8.23 4.02 4.57 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 1.27 0.00 0.00 27 L 8.11 4.03 0.00 1.95 1.76 0.95 0.81 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 28 F 8.63 4.04 0.00 2.98 2.84 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 29 F 8.90 4.28 0.00 3.32 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 30 G 8.54 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.43 4.27 0.00 4.02 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.51 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.27 4.33 0.00 3.21 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 34 A 8.61 4.47 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.13 4.05 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 36 P 0.00 4.10 0.00 1.56 1.81 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.03 0.00 37 F 7.79 4.00 0.00 3.20 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 38 F 8.30 4.09 0.00 3.21 3.17 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 0.00 39 I 8.00 3.88 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.93 0.91 0.00 0.00 40 V 7.88 3.56 2.16 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 0.95 0.00 0.00 0.83 0.00 0.00 41 R 8.06 3.84 0.00 1.81 2.08 0.00 3.08 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 42 H 8.50 4.12 0.00 3.38 3.48 0.00 5.84 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 43 Q 8.24 4.05 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 44 L 8.05 4.16 0.00 1.84 1.69 0.90 0.41 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 45 L 7.77 3.92 0.00 1.75 1.70 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.50 4.19 0.00 1.76 1.81 0.00 1.57 0.00 0.00 1.45 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.41 7.81 47 K 7.06 3.94 0.00 1.89 1.70 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.20 1.11 7.81