NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4076 8.3001 118.1943 54.9711 32.6021 176.2689 2 A 3.8726 9.0065 120.6546 54.7182 17.9555 178.2036 3 L 4.0648 7.8861 116.3487 56.7095 42.1469 178.3519 4 D 4.6567 7.1814 119.3908 58.6141 42.4732 179.3952 5 I 3.8771 7.4066 120.4757 64.1937 37.1325 177.7284 6 E 4.3318 8.3225 114.7978 56.7202 30.0732 177.8073 7 R 5.4849 7.4084 118.8925 53.8199 30.7939 176.5531 8 I 5.0303 7.3539 133.2532 63.1782 37.1287 176.3707 9 K 4.2805 9.2306 118.3437 57.2746 32.1715 177.1122 10 E 4.8004 8.0675 113.7579 54.4861 30.7376 175.2321 11 E 4.8392 7.4426 119.3192 54.9612 32.4649 174.7933 12 L 4.1082 9.5188 128.8424 54.8717 48.1204 175.5839 13 S 4.2286 7.8399 113.5337 59.8695 62.0623 165.2261 14 Q 3.5829 8.6220 128.2239 54.7136 26.4350 172.8657 15 A 3.8190 8.2519 124.4004 53.4868 19.4818 177.8919 16 T 3.4056 8.4543 109.6575 60.6947 66.1233 172.7968 17 V 3.0248 9.8797 113.5506 64.0901 31.3385 173.9501 18 L 4.1975 8.8868 120.2478 52.7424 37.9399 179.8452 19 E 3.0475 8.5718 118.7858 56.8549 31.9185 177.6051 20 L 3.7977 8.5692 130.5351 57.8110 42.4580 178.6582 21 K 4.1001 12.0000 119.1408 58.9214 32.3790 178.2289 22 Q 4.6236 7.7251 120.2666 56.6696 29.2211 176.1285 23 L 4.8393 7.6595 114.7783 54.1486 43.0823 175.8707 24 I 4.6003 7.5317 115.5368 61.8506 42.6158 176.2205 25 D 3.8870 8.9344 120.1163 57.1140 41.0961 177.0998 26 A 4.2849 7.9582 118.9960 52.9708 18.6840 177.6507 27 L 4.2500 8.6669 117.0522 56.1187 42.1973 177.8451 28 K 4.1067 7.5737 120.1702 58.1689 32.7571 174.1051 29 E 4.0068 8.5250 124.8419 57.3526 29.2452 177.4001 30 A 4.4371 7.3504 123.4928 52.8433 18.7175 177.0374 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 M 8.30 4.41 0.00 2.12 1.25 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 2 A 9.01 3.87 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.89 4.06 0.00 1.70 1.60 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.18 4.66 0.00 2.80 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 5 I 7.41 3.88 1.87 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 0.91 0.91 0.00 0.00 6 E 8.32 4.33 0.00 1.97 1.98 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 2.34 2.70 0.00 7 R 7.41 5.48 0.00 1.86 1.79 0.00 3.46 0.00 0.00 3.44 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 8 I 7.35 5.03 2.34 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 0.61 0.91 0.00 0.00 9 K 9.23 4.28 0.00 1.87 1.85 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.51 7.81 10 E 8.07 4.80 0.00 2.15 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 2.38 0.00 11 E 7.44 4.84 0.00 2.07 1.84 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 2.20 2.38 0.00 12 L 9.52 4.11 0.00 1.49 1.60 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.84 4.23 0.00 4.00 4.20 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 0.00 0.00 0.00 0.00 14 Q 8.62 3.58 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.72 2.42 0.00 15 A 8.25 3.82 1.25 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 0.00 0.00 16 T 8.45 3.41 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 17 V 9.88 3.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.92 0.00 0.00 18 L 8.89 4.20 0.00 1.80 1.87 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.57 3.05 0.00 2.20 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 2.47 2.30 0.00 20 L 8.57 3.80 0.00 1.61 1.75 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 21 K 12.00 4.10 0.00 1.82 1.77 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.52 7.81 22 Q 7.73 4.62 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.41 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 23 L 7.66 4.84 0.00 1.77 1.59 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.53 4.60 2.07 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 1.30 1.44 0.95 0.00 0.00 25 D 8.93 3.89 0.00 2.59 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 4.28 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.67 4.25 0.00 1.78 1.73 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.57 4.11 0.00 1.79 1.71 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.45 7.81 29 E 8.52 4.01 0.00 2.14 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 2.33 2.41 0.00 30 A 7.35 4.44 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00