NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4048 8.3344 115.2898 57.8769 63.2755 173.6084 3 R 3.8454 8.7620 128.5100 58.2542 30.1405 175.5121 4 R 4.4668 7.7434 115.0657 56.2362 32.2396 175.7584 5 K 4.6772 7.6583 115.4171 54.5241 35.6254 176.2166 6 Q 4.2525 8.4582 118.8874 56.1196 29.3663 176.2547 7 S 4.4010 8.4705 113.4325 60.2907 64.0437 174.3456 8 N 4.9814 7.6184 116.6344 49.9404 38.7263 171.7541 9 P 4.3264 0.0000 0.0000 62.6968 32.5218 176.2361 10 R 4.5705 8.2395 117.7297 54.4774 31.4071 175.4896 11 Q 4.2743 8.3878 121.1475 55.2383 30.0735 175.5093 12 I 4.3057 7.9105 125.5071 59.1435 37.4938 175.8536 13 K 4.1601 8.4259 123.5019 56.5539 31.8424 177.4170 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 2 S 8.33 4.40 0.00 3.85 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.76 3.85 0.00 1.89 1.95 0.00 3.27 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 4 R 7.74 4.47 0.00 1.83 1.96 0.00 3.21 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 5 K 7.66 4.68 0.00 1.79 1.71 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.35 7.81 6 Q 8.46 4.25 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.10 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 7 S 8.47 4.40 0.00 4.00 4.03 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 8 N 7.62 4.98 0.00 2.65 2.74 0.00 0.00 6.91 8.02 0.00 0.00 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 P 0.00 4.33 0.00 2.03 2.00 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 10 R 8.24 4.57 0.00 2.16 1.91 0.00 3.14 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.16 0.00 11 Q 8.39 4.27 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 12 I 7.91 4.31 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 0.91 0.00 0.00 13 K 8.43 4.16 0.00 1.74 1.73 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.43 7.81