NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 44 D 4.6841 8.3649 119.5606 52.5370 42.3599 176.2145 45 P 4.2782 0.0000 0.0000 61.6244 32.0737 173.5076 46 N 5.0595 8.6839 119.4719 51.3020 41.3780 174.9732 47 W 4.4358 9.0420 135.0000 60.1163 30.9589 177.1474 48 F 4.2396 8.9458 115.6075 59.0826 38.3292 176.2306 49 D 4.7494 8.5087 120.4205 54.5782 41.2107 178.3605 50 I 3.7082 7.1067 120.8659 64.4429 37.0278 178.2825 51 T 3.8894 7.6397 109.7968 64.3258 68.4251 176.2508 52 A 4.0462 7.6626 123.5095 55.2375 17.8601 179.6031 53 Q 4.0072 8.0328 115.9565 59.2428 29.0528 178.8433 54 L 4.1450 7.8935 119.6002 57.3504 41.5311 179.2392 55 W 4.2849 8.5731 128.6820 60.8205 30.7915 177.9359 56 E 3.6075 8.2139 118.1992 59.1632 28.8312 179.1868 57 F 4.4239 7.9012 120.1446 61.0913 39.4675 177.5476 58 S 3.6971 7.6852 114.4662 61.6335 62.6836 176.4461 59 Q 3.6687 7.4867 120.7429 59.0235 28.4360 178.9339 60 E 3.8956 7.7780 119.7215 58.9221 29.3650 178.7092 61 L 3.8096 7.0622 118.2042 57.8692 41.7781 179.0525 62 R 3.8887 7.5266 117.0677 59.6428 30.2016 178.4746 63 N 4.3909 8.2856 119.3142 56.9717 39.0299 175.6772 64 R 4.1327 7.6167 122.2751 56.2768 29.5798 180.3519 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 44 D 8.36 4.68 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.28 0.00 2.16 2.05 0.00 3.63 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 2.06 2.16 0.00 46 N 8.68 5.06 0.00 2.87 2.92 0.00 0.00 6.67 7.95 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 47 W 9.04 4.44 0.00 3.32 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.95 4.24 0.00 3.28 3.15 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 49 D 8.51 4.75 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.11 3.71 1.58 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.00 0.76 0.00 0.00 51 T 7.64 3.89 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 52 A 7.66 4.05 1.45 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 0.00 0.00 53 Q 8.03 4.01 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 54 L 7.89 4.14 0.00 1.95 1.82 0.92 0.61 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 55 W 8.57 4.28 0.00 3.46 3.50 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 56 E 8.21 3.61 0.00 2.22 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 2.50 0.00 57 F 7.90 4.42 0.00 3.03 3.26 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 58 S 7.69 3.70 0.00 3.72 3.72 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 0.00 0.00 0.00 59 Q 7.49 3.67 0.00 1.68 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 60 E 7.78 3.90 0.00 2.04 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 0.00 2.31 2.34 0.00 61 L 7.06 3.81 0.00 1.58 1.49 0.46 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.53 3.89 0.00 1.69 1.89 0.00 3.12 0.00 0.00 3.10 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 63 N 8.29 4.39 0.00 2.61 2.97 0.00 0.00 7.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.62 4.13 0.00 1.91 1.68 0.00 3.35 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 0.00