NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.5545 8.3249 122.8112 57.7155 39.2512 172.8104 2 Q 3.7938 7.9868 123.8679 54.3514 28.4359 175.1987 3 W 3.9125 8.6030 123.5129 56.7899 30.3685 175.9734 4 Q 4.0863 8.7580 122.9519 58.1984 29.1306 175.9685 5 R 4.4309 7.6403 114.8758 54.4196 31.1113 175.0114 6 N 4.2811 8.5890 118.7267 53.9107 37.7145 174.3740 7 I 4.1180 7.5286 122.7340 59.0698 38.9020 175.3096 8 R 3.9885 7.4558 121.6785 57.1300 30.5005 176.1122 9 K 4.5421 7.1323 118.5019 55.6903 35.2920 176.2492 10 V 4.4355 8.1133 122.0693 59.3483 31.1903 175.6591 11 R 4.0928 8.2963 126.9158 57.1967 29.9395 176.1695 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 F 8.32 4.55 0.00 2.75 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.99 3.79 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 3 W 8.60 3.91 0.00 3.21 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 4 Q 8.76 4.09 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 5 R 7.64 4.43 0.00 1.94 1.92 0.00 3.04 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 6 N 8.59 4.28 0.00 2.68 2.86 0.00 0.00 6.88 7.45 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 7 I 7.53 4.12 1.03 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.11 0.15 0.00 0.00 8 R 7.46 3.99 0.00 1.69 1.73 0.00 3.25 0.00 0.00 3.13 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 9 K 7.13 4.54 0.00 1.75 1.63 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 10 V 8.11 4.44 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1.18 0.00 0.00 11 R 8.30 4.09 0.00 1.82 1.88 0.00 3.28 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00