NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2667 8.1733 120.1345 57.0833 32.5058 174.2387 2 S 3.6954 7.7293 119.6312 55.8028 64.5841 169.9872 3 E 4.0531 9.1210 126.6925 58.0325 29.0280 176.3010 4 E 3.8887 7.9350 117.6789 59.1687 29.7361 178.1421 5 E 3.9066 8.6199 119.8281 59.4419 29.5482 178.5439 6 L 3.9607 8.0027 119.2479 58.1562 42.1276 178.3528 7 A 4.0044 7.9341 120.5714 55.4148 18.1962 179.2950 8 N 4.2354 8.2571 114.3681 56.4984 38.8022 177.3243 9 A 3.7385 8.1444 122.1224 55.1075 18.3992 179.1324 10 F 4.2017 8.6597 119.3751 61.9846 39.2087 177.7630 11 R 3.9983 8.0924 115.8764 59.1499 29.8882 178.7688 12 I 3.6703 7.5972 119.2629 64.2524 37.0655 178.1041 13 F 4.6258 7.2959 117.0563 59.8795 40.3560 176.9760 14 D 4.6878 8.2837 119.1746 53.0404 37.8326 176.9844 15 K 3.8465 7.7559 123.6830 59.9547 32.6988 179.0076 16 N 4.4824 8.3546 110.6669 52.6640 36.9886 174.2682 17 A 3.7347 7.5398 119.8675 53.7671 16.5251 178.0462 18 D 4.5994 8.2120 117.6540 53.8212 40.3265 176.8568 19 G 3.9006 7.9163 106.4168 46.6648 0.0000 172.6559 20 Y 5.2759 8.2848 116.0665 56.3486 42.2467 174.3780 21 I 4.6632 8.3028 120.5237 59.3935 40.2786 175.5251 22 D 4.9286 9.0669 124.3128 51.0646 43.1877 177.0131 23 I 3.5908 8.2422 118.3876 64.5312 37.5732 177.2357 24 E 4.0181 8.0764 117.6331 59.4575 29.5343 178.8274 25 E 3.9183 8.0395 119.1241 58.9296 29.5990 178.7758 26 L 3.8561 8.5814 120.9003 57.8854 42.1285 178.8956 27 G 3.8062 8.4552 106.0897 48.3131 0.0000 175.3695 28 E 4.1456 7.9651 119.9125 58.7963 29.4445 179.5425 29 I 3.3262 6.9153 119.1133 64.1416 37.4003 178.2417 30 L 4.3183 8.1560 117.9267 55.6796 41.9642 177.3797 31 R 3.9667 8.1386 118.4824 56.7639 28.9252 176.6030 32 A 4.2603 8.5746 131.7184 56.8516 18.5006 179.7097 33 T 3.5789 7.1809 118.6300 65.1144 66.3382 174.4973 34 G 4.0579 8.6013 114.8231 45.6739 0.0000 171.8218 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 4.27 0.00 2.01 1.86 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 2 S 7.73 3.70 0.00 3.97 3.78 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 E 9.12 4.05 0.00 2.23 2.05 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 2.27 2.32 0.00 4 E 7.94 3.89 0.00 1.99 2.13 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 2.37 2.30 0.00 5 E 8.62 3.91 0.00 2.07 1.96 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 2.34 2.35 0.00 6 L 8.00 3.96 0.00 1.81 1.85 0.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.93 4.00 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 8 N 8.26 4.24 0.00 2.98 2.85 0.00 0.00 7.12 6.91 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 A 8.14 3.74 1.50 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 10 F 8.66 4.20 0.00 3.33 3.37 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 R 8.09 4.00 0.00 2.03 1.98 0.00 3.44 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.88 0.00 12 I 7.60 3.67 1.30 0.00 0.00 0.67 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 0.43 0.54 0.00 0.00 13 F 7.30 4.63 0.00 3.13 2.97 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 0.00 0.00 0.00 14 D 8.28 4.69 0.00 2.35 2.42 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 15 K 7.76 3.85 0.00 1.74 1.87 0.00 2.06 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.49 1.40 7.81 16 N 8.35 4.48 0.00 2.84 2.93 0.00 0.00 6.05 7.53 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 17 A 7.54 3.73 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.21 4.60 0.00 3.00 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 0.00 0.00 0.00 0.00 19 G 7.92 3.90 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 0.00 20 Y 8.28 5.28 0.00 3.28 2.73 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 21 I 8.30 4.66 1.83 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.37 0.87 0.00 0.00 22 D 9.07 4.93 0.00 2.97 2.76 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 23 I 8.24 3.59 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.75 0.89 0.00 0.00 24 E 8.08 4.02 0.00 2.19 2.18 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 2.35 2.34 0.00 25 E 8.04 3.92 0.00 2.30 2.02 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 0.00 2.50 2.42 0.00 26 L 8.58 3.86 0.00 1.64 1.76 0.87 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.46 3.81 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 0.00 28 E 7.97 4.15 0.00 2.10 2.15 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 2.38 2.52 0.00 29 I 6.92 3.33 1.62 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.66 0.00 0.00 30 L 8.16 4.32 0.00 1.64 1.68 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.14 3.97 0.00 1.87 1.94 0.00 3.32 0.00 0.00 3.32 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 32 A 8.57 4.26 1.26 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 33 T 7.18 3.58 4.26 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 1.23 0.00 0.00 34 G 8.60 4.06 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 0.00