NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3485 8.1727 120.0025 56.8838 34.8619 177.5171 2 K 3.7634 7.9691 121.1321 58.0115 31.8706 177.0542 3 A 4.0866 8.7668 120.9235 55.5053 19.0276 179.2757 4 V 3.8021 7.8730 110.0704 63.7905 31.6959 178.3959 5 W 4.2554 8.4893 128.8869 60.7531 30.4168 177.3397 6 H 4.1425 8.2109 118.2587 58.9868 29.1685 177.0735 7 K 4.1010 7.6946 122.6900 58.7952 31.9706 178.4478 8 L 3.8374 7.6029 119.8615 58.2170 41.8358 178.8256 9 L 3.6507 7.1229 117.6240 57.4233 41.7138 179.4902 10 S 4.1092 8.4529 115.0069 61.4068 62.8666 176.5640 11 K 3.7206 8.5342 123.7801 57.9102 32.0940 176.2480 12 Q 3.4820 8.5764 124.6487 56.3850 30.5451 173.1444 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 K 8.17 4.35 0.00 1.84 2.10 0.00 1.49 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.32 7.81 2 K 7.97 3.76 0.00 1.91 1.87 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.62 7.81 3 A 8.77 4.09 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.80 2.16 0.00 0.00 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 1.09 0.00 0.00 5 W 8.49 4.26 0.00 3.57 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 6 H 8.21 4.14 0.00 3.31 3.49 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.69 4.10 0.00 1.81 1.95 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.27 7.81 8 L 7.60 3.84 0.00 1.54 1.08 0.77 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.12 3.65 0.00 1.43 1.57 0.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.45 4.11 0.00 3.83 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.53 3.72 0.00 1.64 1.86 0.00 1.79 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.44 7.81 12 Q 8.58 3.48 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.29 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00