NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2403 8.1849 122.4906 54.9517 43.1413 176.1832 3 R 4.3934 8.3982 124.7755 52.9761 32.0720 174.0123 4 R 4.6621 7.8955 116.0352 53.6207 32.6524 175.8768 5 K 3.8489 8.5216 118.2844 56.6207 32.7364 174.8804 6 P 4.2273 0.0000 0.0000 63.0708 31.7207 176.4806 7 T 3.9738 8.4837 119.4124 64.0390 69.0058 173.2434 8 R 4.6230 8.2376 123.2890 54.3918 32.8311 174.7786 9 L 4.5192 8.3544 124.3374 53.7680 42.9225 175.7533 10 E 4.7438 8.2967 120.8008 54.2709 33.4527 175.1141 11 L 4.4917 8.2921 120.4390 53.9927 42.4056 177.2924 12 K 4.3989 8.9222 123.8721 55.3557 33.4790 178.0574 13 L 3.9986 8.5776 121.6859 58.3559 41.5407 179.5508 14 D 4.4302 8.2184 118.0931 57.5323 40.2272 178.1930 15 D 4.6626 8.0817 118.6849 56.6088 40.8010 178.3910 16 I 4.0666 8.1330 122.9190 63.9963 37.1331 178.1494 17 E 4.0659 8.6302 120.2787 61.3926 29.4697 184.3657 18 E 4.1968 7.9413 117.5877 59.5781 29.2994 179.2132 19 F 4.2994 8.1731 119.8178 60.6110 39.5679 177.0306 20 E 3.8779 8.6857 118.9374 59.6464 29.3623 179.1063 21 N 4.3016 8.5987 116.6937 56.2189 38.7800 177.3198 22 I 3.8263 7.7288 122.1887 64.6111 37.6853 178.7967 23 R 3.9943 7.2402 122.9373 61.5738 29.4432 182.3346 24 K 4.3828 7.7465 126.0511 60.7744 31.8208 180.0696 25 D 4.4401 8.7899 120.8949 56.3921 40.1426 178.9237 26 L 4.2455 7.2267 123.2046 54.6257 40.7898 179.3197 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 L 8.18 4.24 0.00 1.60 1.65 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.40 4.39 0.00 1.91 1.83 0.00 3.23 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 4 R 7.90 4.66 0.00 1.89 1.90 0.00 3.06 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 5 K 8.52 3.85 0.00 1.88 1.88 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 6 P 0.00 4.23 0.00 2.06 2.06 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 7 T 8.48 3.97 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 1.21 0.00 0.00 8 R 8.24 4.62 0.00 1.71 1.75 0.00 3.22 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 9 L 8.35 4.52 0.00 1.67 1.57 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.30 4.74 0.00 1.89 1.80 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 2.19 2.23 0.00 11 L 8.29 4.49 0.00 1.62 1.61 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.92 4.40 0.00 1.79 1.72 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.55 7.81 13 L 8.58 4.00 0.00 1.69 1.73 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.22 4.43 0.00 2.77 2.74 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 D 8.08 4.66 0.00 2.91 2.74 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 I 8.13 4.07 1.98 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 1.38 0.87 1.05 0.00 0.00 17 E 8.63 4.07 0.00 1.91 1.99 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 2.25 2.25 0.00 18 E 7.94 4.20 0.00 2.12 2.07 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 2.36 2.53 0.00 19 F 8.17 4.30 0.00 3.15 3.20 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 E 8.69 3.88 0.00 2.15 1.97 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 2.66 2.54 0.00 21 N 8.60 4.30 0.00 2.65 2.83 0.00 0.00 6.75 7.84 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 22 I 7.73 3.83 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.33 0.81 0.00 0.00 23 R 7.24 3.99 0.00 1.95 1.82 0.00 3.32 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 24 K 7.75 4.38 0.00 1.88 1.76 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 25 D 8.79 4.44 0.00 2.63 2.44 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 L 7.23 4.25 0.00 1.75 1.47 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00