NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.4179 8.2549 120.8545 55.6306 32.2546 175.6742 3 E 4.3947 7.7991 117.0627 53.7352 28.9283 172.7475 4 I 4.3440 7.5908 120.5831 59.2595 42.4085 175.3434 5 K 4.1866 8.3628 123.9577 58.2800 33.1066 176.1102 6 G 4.1548 6.6902 101.6903 46.2148 0.0000 171.2454 7 Y 4.8994 8.2705 117.2790 56.3003 42.0041 174.9882 8 E 4.8949 8.1370 117.9624 55.3153 33.8893 174.7899 9 Y 4.7255 9.0151 120.4097 56.2221 42.0026 174.6752 10 Q 4.9941 8.7934 121.1507 54.3281 31.7916 174.5207 11 L 4.7285 9.0440 123.5988 53.1613 46.5174 175.5868 12 Y 5.1524 8.4328 118.0909 56.3253 38.5237 174.0344 13 V 4.1413 8.4316 123.7458 61.6592 33.3402 174.2039 14 Y 5.1654 8.7685 126.1626 57.9315 38.5678 175.0918 15 A 4.7818 9.4083 127.6218 51.7758 21.8172 175.9670 16 S 3.8891 9.9189 119.2835 59.8312 60.6797 172.0187 17 D 4.4550 8.4617 113.3749 55.2901 38.3042 174.1504 18 K 4.7010 8.4943 117.5996 54.3035 35.7412 175.1264 19 L 4.3530 8.1762 124.2360 54.6411 43.3317 175.4621 20 F 5.0417 9.2590 124.4688 55.5967 43.4775 174.1971 21 R 4.7741 8.5014 119.6930 54.5469 32.2900 174.9658 22 A 5.0819 8.5126 126.0110 50.1703 22.5234 175.1717 23 D 5.5684 8.9768 119.7039 51.7371 44.2358 174.7113 24 I 5.0203 8.4026 125.2529 59.5448 39.5444 176.2024 25 S 5.1712 8.5706 122.1048 57.8784 65.8804 172.6056 26 E 5.0506 8.3053 118.4197 55.2849 32.4350 173.7081 27 D 4.7567 8.7633 126.4766 54.4891 42.3624 176.2391 28 Y 4.1803 8.7550 126.2398 61.2523 38.3789 177.4839 29 K 4.0263 8.4947 117.3522 59.2710 32.5876 178.2221 30 T 4.2792 8.6029 106.9438 60.8194 69.4225 175.1349 31 R 3.8286 7.7626 118.7585 57.0222 28.5907 176.6335 32 G 3.7788 7.5254 104.4030 46.5221 0.0000 174.5101 33 R 5.0010 8.3746 126.3788 55.5586 32.2025 176.1550 34 K 4.1388 8.2429 116.4601 55.7032 35.7253 173.9982 35 L 4.3409 8.8110 131.2446 55.5275 41.9514 176.1387 36 L 4.6207 9.1540 126.6256 56.1481 43.5880 177.4736 37 R 4.7699 7.7255 116.2182 54.6899 34.8966 174.3877 38 F 5.0835 8.7921 124.8703 56.9419 41.9917 173.1111 39 N 5.1106 9.4001 122.5864 52.0490 43.3633 175.4595 40 G 3.8613 8.8436 107.0415 43.9165 0.0000 171.2043 41 P 4.4438 0.0000 0.0000 62.5684 31.8767 176.2791 42 V 4.4190 7.7760 114.4875 58.8576 34.6592 173.5056 43 P 4.6130 0.0000 0.0000 61.4492 31.9889 175.1432 44 P 4.1848 0.0000 0.0000 62.0314 32.1346 174.6754 45 P 4.2552 0.0000 0.0000 62.9001 31.4605 175.6440 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 R 8.25 4.42 0.00 1.80 2.03 0.00 3.25 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 3 E 7.80 4.39 0.00 1.98 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 2.16 2.36 0.00 4 I 7.59 4.34 0.56 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.07 0.47 0.00 0.00 5 K 8.36 4.19 0.00 1.70 1.77 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.33 7.81 6 G 6.69 4.15 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 0.00 0.00 0.00 7 Y 8.27 4.90 0.00 2.94 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 4.89 0.00 1.70 1.72 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 0.00 2.21 2.30 0.00 9 Y 9.02 4.73 0.00 2.89 2.82 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 10 Q 8.79 4.99 0.00 1.82 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 11 L 9.04 4.73 0.00 1.48 1.48 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.43 5.15 0.00 2.78 2.66 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 13 V 8.43 4.14 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 1.17 0.00 0.00 1.03 0.00 0.00 14 Y 8.77 5.17 0.00 3.02 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.41 4.78 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.92 3.89 0.00 4.12 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 17 D 8.46 4.45 0.00 2.83 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 18 K 8.49 4.70 0.00 2.12 1.31 0.00 2.04 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.43 7.81 19 L 8.18 4.35 0.00 1.65 1.45 0.57 0.47 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 20 F 9.26 5.04 0.00 3.03 2.05 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 21 R 8.50 4.77 0.00 1.77 1.67 0.00 2.76 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.62 0.00 22 A 8.51 5.08 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 23 D 8.98 5.57 0.00 2.66 2.60 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 24 I 8.40 5.02 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 0.99 0.00 0.00 25 S 8.57 5.17 0.00 3.94 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 26 E 8.31 5.05 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.45 0.00 27 D 8.76 4.76 0.00 2.91 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 28 Y 8.76 4.18 0.00 2.94 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 29 K 8.49 4.03 0.00 1.94 1.87 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.62 7.81 30 T 8.60 4.28 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 1.22 0.00 0.00 31 R 7.76 3.83 0.00 1.97 2.02 0.00 3.34 0.00 0.00 3.46 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 32 G 7.53 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 33 R 8.37 5.00 0.00 1.73 2.07 0.00 3.22 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 34 K 8.24 4.14 0.00 1.76 1.66 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.32 7.81 35 L 8.81 4.34 0.00 1.70 1.58 1.16 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 36 L 9.15 4.62 0.00 1.70 1.72 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.73 4.77 0.00 1.77 1.78 0.00 3.19 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 38 F 8.79 5.08 0.00 2.95 2.82 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 39 N 9.40 5.11 0.00 2.67 2.67 0.00 0.00 6.54 8.53 0.00 0.00 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 8.84 3.86 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 0.00 0.00 0.00 41 P 0.00 4.44 0.00 1.83 1.51 0.00 3.34 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.77 0.00 42 V 7.78 4.42 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 0.71 0.00 0.00 0.96 0.00 0.00 43 P 0.00 4.61 0.00 1.89 1.93 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 44 P 0.00 4.18 0.00 2.06 1.97 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 45 P 0.00 4.26 0.00 1.93 1.43 0.00 3.37 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.82 0.00