NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6414 7.7358 117.5578 55.8050 42.4740 175.0558 2 G 3.8547 8.3286 109.3567 43.8628 0.0000 170.8954 3 E 3.9542 8.7882 119.4983 56.5965 30.9096 174.3836 4 T 4.8581 8.4331 117.7489 61.8685 70.0953 175.0343 5 C 4.7201 8.1995 125.4431 53.7127 41.0504 173.9238 6 F 4.0549 8.1279 124.8079 61.9539 39.6815 175.7944 7 G 3.9326 8.2433 107.8365 45.3847 0.0000 175.3992 8 G 4.2396 8.5207 113.5476 45.7599 0.0000 175.3035 9 T 4.4089 7.6779 114.9588 62.7074 69.6260 173.4478 10 C 5.1462 8.3826 121.0325 55.3435 42.8825 173.7623 11 N 4.2591 9.7567 120.8376 55.0240 39.2907 175.2385 12 T 4.4981 8.5182 116.6729 60.7383 69.7546 172.3665 13 P 4.4368 0.0000 0.0000 64.1766 32.1646 176.1929 14 G 4.0083 9.0904 109.8276 45.2642 0.0000 173.3998 15 C 5.0184 7.5711 116.9208 56.4104 39.3853 173.5895 16 S 4.8420 9.1876 120.6639 56.9937 64.7730 172.8474 17 C 4.5807 8.7863 124.4706 56.4283 44.3980 174.0445 18 T 4.6325 8.1643 123.2490 63.7585 68.5724 173.3952 19 W 4.2424 7.4669 128.8945 56.1740 31.9716 173.6247 20 P 3.9219 0.0000 0.0000 61.9573 31.7439 174.7126 21 I 4.8918 7.7773 111.7331 60.6266 41.1942 173.4882 22 C 5.1585 9.1228 124.1534 56.7911 39.5841 173.1707 23 T 4.9220 9.3205 113.7062 59.8082 71.4802 172.8182 24 R 4.9282 8.8085 123.4748 54.7408 31.3017 176.4576 25 D 4.4357 9.8073 122.4480 55.2295 38.4293 174.7497 26 G 3.9092 8.5275 105.3990 45.3636 0.0000 173.7020 27 L 4.5907 8.0814 121.1756 52.5109 43.0458 175.8711 28 P 4.9782 0.0000 0.0000 62.2624 31.1241 176.7825 29 V 3.8746 7.5768 122.9854 61.9039 31.6972 175.9671 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 C 7.74 4.64 0.00 3.13 3.19 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 0.00 0.00 0.00 0.00 2 G 8.33 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 0.00 0.00 0.00 3 E 8.79 3.95 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 4 T 8.43 4.86 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 5 C 8.20 4.72 0.00 3.14 3.24 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 0.00 6 F 8.13 4.05 0.00 2.79 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.52 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 0.00 0.00 0.00 0.00 9 T 7.68 4.41 4.26 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 1.22 0.00 0.00 10 C 8.38 5.15 0.00 2.93 3.25 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 11 N 9.76 4.26 0.00 2.64 2.83 0.00 0.00 7.08 8.37 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 12 T 8.52 4.50 4.26 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 1.21 0.00 0.00 13 P 0.00 4.44 0.00 2.17 2.06 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 14 G 9.09 4.01 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 0.00 0.00 0.00 15 C 7.57 5.02 0.00 3.02 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 16 S 9.19 4.84 0.00 3.74 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 17 C 8.79 4.58 0.00 3.16 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 4.63 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 19 W 7.47 4.24 0.00 3.28 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.92 0.00 1.63 0.75 0.00 3.72 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 21 I 7.78 4.89 1.83 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 1.31 0.83 0.83 0.00 0.00 22 C 9.12 5.16 0.00 2.83 3.05 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 23 T 9.32 4.92 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 1.24 0.00 0.00 24 R 8.81 4.93 0.00 1.98 2.10 0.00 3.19 0.00 0.00 3.26 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 25 D 9.81 4.44 0.00 2.82 2.79 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 0.00 0.00 0.00 26 G 8.53 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.08 4.59 0.00 1.78 1.59 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.98 0.00 2.03 2.04 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 29 V 7.58 3.87 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00