NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 T 4.3876 8.0327 117.3825 63.1557 70.2595 174.0368 19 F 4.0057 9.0657 128.0282 59.9995 39.3224 176.1816 20 S 4.1138 9.0236 114.7313 61.2876 63.0688 175.5465 21 D 4.3333 7.9962 121.3502 57.2124 40.9345 178.1982 22 L 4.0698 7.8429 119.3667 57.5316 41.6557 179.3507 23 W 3.7461 8.1410 128.6051 60.3894 30.3559 178.1058 24 K 4.0304 7.9745 117.1530 59.1560 31.5395 178.4759 25 L 4.2467 7.3833 116.6194 54.4386 41.9972 177.0645 26 L 3.8867 7.0100 120.8715 53.5613 41.8490 175.4294 27 P 4.4563 0.0000 0.0000 62.0220 32.3398 176.1670 28 E 4.0828 8.4399 117.0943 56.7615 29.4092 177.1302 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 18 T 8.03 4.39 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 19 F 9.07 4.01 0.00 3.25 3.10 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 0.00 0.00 0.00 20 S 9.02 4.11 0.00 4.14 4.21 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 0.00 0.00 0.00 0.00 21 D 8.00 4.33 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.84 4.07 0.00 1.77 1.66 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.14 3.75 0.00 2.67 2.80 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 24 K 7.97 4.03 0.00 1.93 1.87 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.68 7.81 25 L 7.38 4.25 0.00 1.61 1.64 0.88 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.01 3.89 0.00 1.16 1.19 -0.61 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.46 0.00 2.11 1.99 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 28 E 8.44 4.08 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00