NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6714 8.2827 119.2046 53.4040 40.2392 173.9206 4 K 3.9549 8.4227 116.5272 58.2736 30.7411 177.7650 5 R 3.9319 8.8629 120.1672 59.4498 29.7988 177.2237 6 N 4.7403 7.8131 114.9268 55.5531 38.2966 177.6474 7 V 3.6573 7.5859 119.3366 65.8592 31.7189 177.8018 8 E 4.0528 8.6549 119.0212 59.0311 28.7606 178.9461 9 L 4.0067 7.3754 120.5698 57.8615 41.9867 178.5850 10 L 4.1804 7.7573 117.2299 56.4546 41.4834 178.6822 11 A 4.0218 7.3431 119.4476 54.6583 18.9377 178.9552 12 T 4.0617 7.9140 111.4189 64.7036 67.4679 176.8071 13 L 4.0625 7.6504 120.5293 57.4808 41.6261 179.1445 14 K 4.2304 7.7075 117.3723 58.3909 31.4861 178.9082 15 E 3.9836 7.8859 120.0922 59.2206 29.3334 178.3636 16 N 4.4418 7.6701 114.3795 55.7658 38.7274 177.1578 17 L 4.2095 7.7732 120.0369 57.6077 42.0857 178.9188 18 E 3.9840 8.1511 118.5169 59.5382 29.1832 179.6908 19 R 3.9762 7.5660 115.9552 58.9724 30.1210 178.5806 20 A 4.1911 7.7302 119.9301 51.9911 18.7733 178.1565 21 Q 4.4621 8.1430 111.5586 55.8301 29.7873 179.0228 22 G 3.8399 9.3544 117.5126 46.9949 0.0000 174.6465 *56 N 4.7782 9.3201 123.7753 53.4147 40.8767 176.6456 57 T 3.9411 7.7756 114.5234 66.3528 68.3175 176.5105 58 L 4.0010 7.8651 121.6090 57.8046 41.9027 178.8681 59 I 3.8107 7.4856 118.9996 64.1007 37.2925 177.6800 60 R 4.0597 7.8054 119.8255 59.2339 29.6173 178.5668 61 L 4.0037 7.7686 118.6917 57.4529 41.1323 178.8143 62 A 3.9689 7.8026 119.4940 53.7833 18.4783 179.2055 63 L 4.0043 7.5057 119.4777 57.8980 42.0026 178.9737 64 K 4.0576 7.9238 117.1719 58.9206 32.2242 178.2079 65 E 4.1559 7.6627 117.8173 57.5937 29.7316 177.1546 66 L 4.7120 7.1218 117.9206 56.3448 43.0125 176.0698 67 G 3.7593 8.0753 111.8764 46.2000 0.0000 172.9312 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 3 N 8.28 4.67 0.00 2.77 2.80 0.00 0.00 6.72 5.87 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 4 K 8.42 3.95 0.00 1.94 1.78 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.55 7.81 5 R 8.86 3.93 0.00 1.91 1.92 0.00 3.22 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 6 N 7.81 4.74 0.00 2.91 2.83 0.00 0.00 6.57 7.56 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 V 7.59 3.66 2.19 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 1.07 0.00 0.00 1.01 0.00 0.00 8 E 8.65 4.05 0.00 2.02 1.98 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 2.33 2.52 0.00 9 L 7.38 4.01 0.00 1.84 1.84 0.92 0.60 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 10 L 7.76 4.18 0.00 1.88 1.69 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.34 4.02 1.38 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 12 T 7.91 4.06 4.45 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 1.27 0.00 0.00 13 L 7.65 4.06 0.00 1.75 1.70 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.71 4.23 0.00 2.02 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.58 7.81 15 E 7.89 3.98 0.00 2.03 2.20 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 2.30 2.34 0.00 16 N 7.67 4.44 0.00 2.90 2.86 0.00 0.00 7.08 7.73 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 17 L 7.77 4.21 0.00 1.69 1.70 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.15 3.98 0.00 2.09 2.00 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 2.42 2.49 0.00 19 R 7.57 3.98 0.00 1.81 2.00 0.00 3.16 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 20 A 7.73 4.19 1.33 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 21 Q 8.14 4.46 0.00 2.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 22 G 9.35 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *56 N 9.32 4.78 0.00 2.79 2.92 0.00 0.00 6.84 7.05 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 57 T 7.78 3.94 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 58 L 7.87 4.00 0.00 1.71 1.66 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.49 3.81 2.04 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 1.52 0.65 0.91 0.00 0.00 60 R 7.81 4.06 0.00 1.84 1.91 0.00 3.09 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 61 L 7.77 4.00 0.00 1.71 1.70 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.80 3.97 1.37 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 0.00 0.00 63 L 7.51 4.00 0.00 1.94 1.87 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.92 4.06 0.00 1.77 1.85 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.68 7.81 65 E 7.66 4.16 0.00 2.01 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 2.30 2.45 0.00 66 L 7.12 4.71 0.00 1.83 1.71 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.08 3.76 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.