NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4279 8.3349 116.7981 58.0427 64.9348 173.4280 2 R 4.4056 7.8631 118.0882 54.0083 31.4421 170.6037 3 V 4.5931 7.9074 115.4008 58.8206 36.8374 175.4625 4 T 4.3474 8.1124 111.6994 60.9011 71.0840 175.6929 5 W 4.4277 8.6691 119.4712 59.7874 27.9768 177.9169 6 Y 3.7638 7.1290 120.2399 60.6944 38.1927 177.2095 7 D 4.2549 7.9348 119.4897 57.1210 40.6242 178.5661 8 F 4.3450 8.2609 120.7880 61.2829 39.4932 176.9636 9 L 3.8904 7.9062 117.7416 57.3746 41.5677 178.4902 10 M 4.2094 7.3976 116.4334 54.8058 32.2104 176.2628 11 E 3.8592 7.0351 119.8848 56.6885 29.8929 176.7932 12 D 4.4412 8.5555 122.8411 54.5381 41.0019 176.3623 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 S 8.33 4.43 0.00 3.89 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.86 4.41 0.00 1.86 1.85 0.00 3.15 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 3 V 7.91 4.59 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.06 0.00 0.00 4 T 8.11 4.35 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 5 W 8.67 4.43 0.00 3.66 3.42 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 0.00 6 Y 7.13 3.76 0.00 2.10 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.93 4.25 0.00 2.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.26 4.34 0.00 3.06 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 3.89 0.00 1.77 1.68 1.25 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 10 M 7.40 4.21 0.00 1.78 1.76 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.81 0.00 11 E 7.04 3.86 0.00 1.90 1.77 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 2.30 2.41 0.00 12 D 8.56 4.44 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00