NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2910 8.4444 120.2264 56.2420 31.5861 176.0378 2 L 3.8595 7.8599 118.7931 54.8434 42.5852 170.7551 3 V 4.4554 9.1951 124.7583 61.4521 35.9827 173.3251 4 M 4.8894 8.8070 127.2332 54.1889 33.7550 175.5277 5 T 4.4440 9.2729 122.5826 62.0768 70.3324 173.5046 6 Q 5.2509 8.6480 128.3596 54.4494 31.0563 174.6666 7 T 4.9022 8.7443 115.5401 59.4187 72.6764 171.6827 8 P 4.7734 0.0000 0.0000 61.8077 32.6628 176.0227 9 L 4.0688 8.5330 121.7470 57.5440 42.2370 177.3056 10 S 4.6578 7.6823 110.2400 56.3620 65.3230 173.4206 11 L 4.4439 8.0596 127.4576 53.2087 42.6218 173.4974 12 P 4.5592 0.0000 0.0000 62.2584 32.2719 176.6421 13 V 4.2376 7.6605 110.9491 60.8376 35.1993 173.0028 14 S 4.5632 8.1069 118.0866 56.7050 64.4889 173.4404 15 L 3.9718 8.3020 120.7672 56.4324 41.6824 178.8239 16 G 3.9064 8.6551 107.6248 46.2626 0.0000 173.5498 17 D 4.6761 7.5081 119.3654 53.3597 42.3413 174.8618 18 Q 4.5620 8.3780 120.2839 54.3665 30.6981 174.2721 19 A 4.8727 8.4375 127.2507 50.2160 21.7307 175.5244 20 S 4.7422 8.4092 114.7168 56.4319 66.0754 173.5139 21 I 4.5967 8.2637 122.9568 59.6016 40.3137 174.8514 22 S 4.9105 8.7328 119.8626 57.1059 66.1658 172.9445 23 C 5.1800 8.5999 122.5685 55.8115 44.0652 172.9919 24 R 4.9757 9.3213 126.5601 54.3112 33.1366 175.3314 25 S 5.3645 8.3519 116.7779 56.3284 65.2453 175.0941 26 S 4.4939 8.8709 118.4801 60.9415 63.0946 174.4713 27 Q 4.3956 7.5403 115.8627 54.6790 31.4059 173.8961 *271 S 4.3276 8.3782 114.2772 58.4053 63.2383 173.4253 272 I 4.5071 8.1531 119.8172 60.4876 37.8854 175.2402 273 V 4.1861 7.4218 120.9620 62.6493 32.2288 175.2009 274 H 4.4611 8.6777 124.6517 54.9005 29.5885 175.5333 275 S 4.2981 8.6270 115.0991 58.9816 62.5595 174.2850 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 E 8.44 4.29 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 2.21 2.30 0.00 2 L 7.86 3.86 0.00 1.85 1.59 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 3 V 9.20 4.46 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 4 M 8.81 4.89 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 5 T 9.27 4.44 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 6 Q 8.65 5.25 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 7 T 8.74 4.90 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 P 0.00 4.77 0.00 2.38 2.08 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 9 L 8.53 4.07 0.00 1.62 1.74 0.92 0.82 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 10 S 7.68 4.66 0.00 3.80 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 4.44 0.00 1.58 1.51 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.56 0.00 2.08 1.96 0.00 3.76 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 2.02 2.10 0.00 13 V 7.66 4.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.97 0.00 0.00 14 S 8.11 4.56 0.00 4.00 3.99 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 0.00 0.00 0.00 15 L 8.30 3.97 0.00 1.65 1.67 0.92 0.89 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 16 G 8.66 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.51 4.68 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.38 4.56 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 19 A 8.44 4.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.41 4.74 0.00 3.92 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.60 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 0.68 0.96 0.00 0.00 22 S 8.73 4.91 0.00 3.84 3.73 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 23 C 8.60 5.18 0.00 2.92 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.32 4.98 0.00 1.78 1.78 0.00 3.18 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 25 S 8.35 5.36 0.00 3.96 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.87 4.49 0.00 3.89 4.05 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 0.00 0.00 0.00 27 Q 7.54 4.40 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.45 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 *271 S 8.38 4.33 0.00 3.88 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 0.00 272 I 8.15 4.51 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.95 0.00 0.00 273 V 7.42 4.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 274 H 8.68 4.46 0.00 3.15 3.24 0.00 5.97 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 275 S 8.63 4.30 0.00 3.98 3.87 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 * Residues marked with a * may have inaccurate shift predictions.