NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3345 8.2493 123.5795 51.7974 19.9420 176.5868 2 V 3.7031 8.1745 120.5803 61.2105 32.8078 174.8198 3 S 4.1030 7.9061 112.0608 56.5984 63.7743 174.9295 4 E 4.8832 7.9766 120.7321 57.1846 37.1373 175.9234 5 I 4.2730 7.6916 118.8486 61.6647 40.1065 177.6434 6 Q 4.0857 7.7476 119.5530 58.8335 28.7184 176.9075 7 F 4.1856 7.9904 117.9450 59.5749 40.4379 173.8084 8 M 3.6476 8.6439 129.6038 56.2430 30.1812 178.8401 9 H 3.9800 7.6679 114.8754 59.1896 30.5432 176.0496 10 N 4.7223 8.1205 117.0703 51.6616 37.7605 173.8655 11 L 4.4948 7.4503 121.6283 56.0729 49.8100 176.3205 12 G 3.9744 7.5168 106.6702 44.5411 0.0000 173.9921 13 K 3.8862 7.7231 121.6304 59.5656 33.0619 177.5491 14 H 4.1705 8.1341 114.1502 56.7276 29.4344 175.1243 15 L 3.5632 7.7806 117.1808 54.4880 38.0064 174.8943 16 S 4.8681 7.4438 108.7053 57.0844 65.2721 175.4987 17 S 4.5941 7.8959 116.7306 57.6987 66.7596 173.6723 18 M 4.2068 8.3375 120.2089 57.3874 32.3347 174.9874 19 E 4.4221 9.2095 126.0197 56.3685 29.8249 176.0202 20 R 4.9068 7.4992 117.8270 55.8082 30.2173 177.3277 21 V 4.1232 7.6464 117.9546 63.4049 34.3082 177.8316 22 E 3.9042 8.3222 121.8762 58.0042 30.1256 178.1814 23 W 4.4796 8.6376 116.9047 59.9329 27.6215 178.0100 24 L 2.0000 5.9656 120.2329 57.5127 39.4561 179.3987 25 R 3.7589 7.5072 118.5511 59.1707 29.9178 179.1661 26 K 4.0535 7.8524 118.0109 59.0175 31.7897 179.3657 27 K 3.9480 7.2769 118.7229 59.5501 32.1779 178.2788 28 L 4.3846 7.4920 118.1200 56.5498 42.8688 178.3457 29 Q 4.1456 7.9790 117.3935 58.7759 28.4035 177.5560 30 D 4.3741 7.9883 120.6453 56.9372 41.7082 177.8047 31 V 4.4862 7.3357 116.2139 59.6557 29.3966 172.9218 32 H 4.9264 7.7950 124.5868 58.0769 37.9060 175.0638 33 N 4.6036 8.4679 115.9094 54.8718 36.9730 174.3533 34 F 4.5074 7.1977 117.0021 54.9330 42.1389 180.5567 35 V 2.9778 8.9971 115.3823 61.8909 32.2644 174.4662 36 A 4.0194 8.7793 133.4144 53.4171 16.8441 177.8844 37 L 4.2312 7.3518 117.6786 54.9184 41.9226 176.5274 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 A 8.25 4.33 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 2 V 8.17 3.70 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.99 0.00 0.00 3 S 7.91 4.10 0.00 3.33 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.88 0.00 2.05 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 2.16 2.33 0.00 5 I 7.69 4.27 1.88 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 1.38 1.43 0.91 0.00 0.00 6 Q 7.75 4.09 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 7 F 7.99 4.19 0.00 2.94 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.64 3.65 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 9 H 7.67 3.98 0.00 3.26 3.50 0.00 5.74 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.12 4.72 0.00 2.62 2.73 0.00 0.00 6.81 7.78 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 11 L 7.45 4.49 0.00 1.31 1.47 0.62 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.52 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 0.00 0.00 0.00 13 K 7.72 3.89 0.00 1.59 1.70 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.62 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.24 1.29 7.81 14 H 8.13 4.17 0.00 3.19 3.35 0.00 5.91 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.78 3.56 0.00 1.57 1.32 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.44 4.87 0.00 3.89 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.90 4.59 0.00 3.88 3.75 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 0.00 0.00 0.00 0.00 18 M 8.34 4.21 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 19 E 9.21 4.42 0.00 2.11 2.22 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 2.18 2.34 0.00 20 R 7.50 4.91 0.00 1.98 2.01 0.00 3.20 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 0.00 21 V 7.65 4.12 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 0.96 0.00 0.00 0.92 0.00 0.00 22 E 8.32 3.90 0.00 2.08 2.04 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 2.41 2.40 0.00 23 W 8.64 4.48 0.00 3.59 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 24 L 5.97 2.00 0.00 1.29 0.88 0.68 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.51 3.76 0.00 2.20 1.95 0.00 3.14 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 26 K 7.85 4.05 0.00 2.03 1.93 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.51 7.81 27 K 7.28 3.95 0.00 1.94 1.22 0.00 0.61 0.00 0.00 1.33 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.41 7.81 28 L 7.49 4.38 0.00 1.51 1.66 0.84 0.84 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 29 Q 7.98 4.15 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 30 D 7.99 4.37 0.00 2.81 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 31 V 7.34 4.49 2.14 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 0.91 0.00 0.00 0.99 0.00 0.00 32 H 7.80 4.93 0.00 3.28 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.47 4.60 0.00 2.90 3.08 0.00 0.00 7.22 7.82 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 34 F 7.20 4.51 0.00 2.96 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 35 V 9.00 2.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.85 0.00 0.00 36 A 8.78 4.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.35 4.23 0.00 1.66 1.59 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00