NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.4397 8.3249 119.4317 57.3759 40.2349 173.5362 2 V 4.1716 8.7492 116.1445 58.9112 32.4712 174.5775 3 N 5.0701 9.3538 127.5124 52.6171 38.3640 172.5432 4 Q 4.6602 7.5889 117.0139 55.3291 32.4303 175.7840 5 H 4.5161 8.6044 116.3774 55.7911 27.0245 175.0339 6 L 4.2445 8.3383 124.3387 55.1007 41.5993 177.6557 7 C 4.0113 8.1263 116.1846 60.1412 28.6569 172.9193 8 G 3.7681 9.3886 106.5431 49.3732 0.0000 177.5378 9 S 3.7941 8.1950 113.5591 60.4047 66.0057 176.5744 10 D 4.4991 7.9544 121.2413 56.2175 40.7872 178.4828 11 L 3.9948 8.4357 120.8882 59.3546 39.9165 179.8465 12 V 3.5551 8.2427 119.0095 64.0864 31.5639 178.1021 13 E 4.0671 8.5311 119.6743 59.4054 29.3061 179.0841 14 A 3.9862 7.9708 120.2132 55.1313 18.4784 179.3348 15 L 3.8492 8.0442 117.6721 58.7141 41.3436 177.8850 16 Y 4.3232 7.9750 120.1023 58.7422 38.6665 176.5313 17 L 3.2850 7.5781 125.0105 58.5085 40.6114 177.9379 18 V 3.5204 8.0200 119.4611 64.7467 31.3651 176.7397 19 C 4.0518 8.5891 118.5619 62.3723 31.9596 175.3943 20 G 4.0276 8.8423 106.5087 45.1184 0.0000 173.2682 21 E 4.0065 9.4081 114.2573 56.6015 28.5336 175.5629 22 R 3.9909 8.3868 111.9747 57.3259 28.7216 176.2275 23 G 4.1314 9.2294 106.7756 46.7798 0.0000 174.8358 *25 F 4.5741 7.6854 119.6314 53.8200 41.7526 174.5401 26 Y 5.6350 7.1381 135.0000 58.5686 40.3638 170.9532 27 T 4.0610 7.4552 114.3753 61.7943 70.8722 175.5398 28 K 4.4477 7.1971 126.2063 53.7126 33.3857 174.4025 29 P 4.6304 0.0000 0.0000 61.2375 30.6818 177.4480 30 T 4.0278 7.6245 111.9335 62.8062 68.4576 174.5812 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 F 8.32 4.44 0.00 3.11 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.75 4.17 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 0.71 0.00 0.00 1.02 0.00 0.00 3 N 9.35 5.07 0.00 2.76 2.83 0.00 0.00 6.08 7.40 0.00 0.00 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 Q 7.59 4.66 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.35 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 5 H 8.60 4.52 0.00 3.16 3.30 0.00 5.69 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.34 4.24 0.00 1.89 1.91 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.13 4.01 0.00 3.11 2.96 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 0.00 0.00 0.00 8 G 9.39 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.20 3.79 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.95 4.50 0.00 2.99 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 3.99 0.00 1.86 2.02 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.24 3.56 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.84 0.00 0.00 13 E 8.53 4.07 0.00 2.12 2.06 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 2.41 2.47 0.00 14 A 7.97 3.99 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 15 L 8.04 3.85 0.00 1.66 1.50 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.98 4.32 0.00 2.67 3.03 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 17 L 7.58 3.28 0.00 1.62 1.66 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.02 3.52 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 0.65 0.00 0.00 0.90 0.00 0.00 19 C 8.59 4.05 0.00 3.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.84 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 0.00 0.00 0.00 21 E 9.41 4.01 0.00 2.34 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 22 R 8.39 3.99 0.00 2.10 2.23 0.00 3.15 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 23 G 9.23 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 *25 F 7.69 4.57 0.00 2.92 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.14 5.64 0.00 2.97 3.07 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 0.00 0.00 0.00 27 T 7.46 4.06 4.08 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 0.00 0.00 0.00 1.10 0.00 0.00 28 K 7.20 4.45 0.00 1.59 1.65 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.36 7.81 29 P 0.00 4.63 0.00 2.27 2.14 0.00 3.87 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 30 T 7.62 4.03 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.