NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5137 8.1633 120.2771 55.1159 34.3222 173.7929 2 K 4.5856 8.4776 122.1407 54.5040 33.8903 170.1970 3 V 4.9253 9.5984 126.8435 61.2492 34.0498 174.5874 4 R 4.8932 9.0564 125.3293 54.5744 35.0080 174.1438 5 V 4.8317 8.2392 119.5402 61.3403 34.9659 174.3624 6 D 4.6606 9.2611 128.1234 52.7775 40.9102 176.4468 7 A 4.0539 8.8556 130.6473 55.4837 18.6015 179.2193 8 D 4.3850 8.2378 114.6009 57.0176 40.9925 177.5680 9 A 4.2246 7.7516 120.8673 53.6805 19.1916 177.2734 10 C 4.2126 7.5346 116.3627 59.5755 31.7649 173.1935 11 I 4.1712 8.3982 119.3716 60.0607 37.7750 175.6420 12 G 4.0118 8.3526 107.8827 46.7689 0.0000 175.1143 13 C 4.1111 8.2332 117.0025 59.2542 30.1214 174.7330 14 G 3.9455 8.2854 107.1915 44.9845 0.0000 174.8350 15 V 3.5806 7.7409 120.1511 66.0292 31.3133 177.5566 16 C 3.9502 7.8401 113.7902 61.1610 29.1305 175.4319 17 E 4.1726 8.0233 120.5819 59.0318 29.4053 177.9608 18 N 4.4864 7.8517 115.4555 56.4567 38.7309 177.0319 19 L 4.3015 7.8392 118.8838 56.6950 43.3873 177.1389 20 C 5.0306 8.5863 118.5077 54.3279 44.2048 172.3885 21 P 4.2237 0.0000 0.0000 65.6505 31.3399 178.1104 22 D 4.5149 8.0587 116.8470 55.5897 41.4167 176.6997 23 V 4.0213 7.5989 118.2749 62.9145 34.0107 175.2204 24 F 5.5270 8.3487 117.4493 55.6259 42.3045 174.9270 25 Q 4.6570 8.9507 122.4969 54.4163 32.7793 173.4769 26 L 4.5826 9.3724 129.7654 54.2075 42.6373 176.8221 27 G 3.9432 9.1565 116.8766 44.9017 0.0000 173.4276 28 D 4.3952 8.5064 118.8338 57.0609 40.8158 177.5633 29 D 4.5301 8.0861 115.9945 53.3697 39.2349 176.2522 30 G 3.8849 8.3135 108.1506 46.6934 0.0000 173.2845 31 K 4.7423 7.8332 116.4378 53.8460 36.6334 175.8712 32 A 4.7064 8.6403 124.1764 51.8845 19.5965 176.7646 33 K 4.5492 9.2727 121.6259 54.5796 35.7221 175.4315 34 V 4.2965 8.3769 127.0672 61.6028 31.1267 175.2992 35 L 4.0709 8.7868 130.0820 56.9294 41.9786 177.7970 36 Q 4.4005 7.6506 117.4178 52.5756 29.4593 173.3726 37 P 3.9994 0.0000 0.0000 64.5079 32.9051 175.1506 38 E 5.0699 7.6864 119.5114 54.6172 31.7437 174.8259 39 T 4.8334 8.9454 120.9513 60.8495 70.9774 172.9912 40 D 4.8301 8.5781 121.8954 52.6552 40.6250 176.2103 41 L 4.0941 7.7647 121.9976 54.3124 41.8912 176.1546 42 P 4.3081 0.0000 0.0000 65.6979 31.1518 177.3813 43 C 4.4476 8.2936 112.0588 57.8962 37.6755 175.6065 44 A 4.2054 8.2093 124.1110 55.1834 17.8869 179.7443 45 K 3.9753 8.0010 116.7309 59.6712 32.2489 179.3048 46 D 4.3383 8.1501 118.4678 57.3849 40.8276 178.5851 47 A 3.8987 8.4171 121.2882 54.9521 18.1054 179.5046 48 A 3.8571 7.7118 118.2357 55.5591 18.6132 179.5087 49 D 4.4162 8.1563 115.8009 56.8286 40.9348 178.2325 50 S 4.5467 7.5298 113.5153 57.8519 63.1997 174.0051 51 C 4.1336 7.4360 123.8417 58.4846 31.5403 172.5061 52 P 4.3963 0.0000 0.0000 64.8542 30.9848 176.7643 53 T 4.4015 7.6367 107.4812 60.4145 69.0826 174.4060 54 G 3.9096 8.0031 109.2630 46.8088 0.0000 175.8644 55 A 4.1743 7.4118 121.1096 53.8793 19.4810 178.4442 56 I 4.8896 7.0371 113.4062 60.1856 38.7632 175.8587 57 S 4.7635 9.0682 120.8069 56.4372 66.0155 172.9087 58 V 4.7251 8.5109 125.6673 61.5781 33.6262 175.6855 *59 E 4.1727 9.0991 123.7237 56.2203 30.3202 171.9247 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 M 8.16 4.51 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 2 K 8.48 4.59 0.00 1.79 1.73 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.67 7.81 3 V 9.60 4.93 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 0.83 0.00 0.00 0.91 0.00 0.00 4 R 9.06 4.89 0.00 1.75 1.76 0.00 3.29 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 5 V 8.24 4.83 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 0.81 0.00 0.00 1.11 0.00 0.00 6 D 9.26 4.66 0.00 2.73 2.56 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 0.00 0.00 0.00 0.00 7 A 8.86 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.24 4.38 0.00 2.87 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 9 A 7.75 4.22 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.53 4.21 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.40 4.17 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.95 0.00 0.00 12 G 8.35 4.01 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 0.00 0.00 0.00 13 C 8.23 4.11 0.00 3.07 3.06 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 14 G 8.29 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 3.58 2.01 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 1.03 0.00 0.00 0.90 0.00 0.00 16 C 7.84 3.95 0.00 2.04 2.56 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 0.00 0.00 0.00 0.00 17 E 8.02 4.17 0.00 2.04 2.22 0.00 0.00 0.00 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 2.59 0.00 18 N 7.85 4.49 0.00 2.97 2.87 0.00 0.00 7.10 7.42 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 19 L 7.84 4.30 0.00 1.63 1.74 0.89 0.66 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 20 C 8.59 5.03 0.00 3.05 3.38 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 21 P 0.00 4.22 0.00 2.24 2.32 0.00 3.86 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 22 D 8.06 4.51 0.00 2.67 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 23 V 7.60 4.02 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.81 0.00 0.00 24 F 8.35 5.53 0.00 3.09 2.90 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 25 Q 8.95 4.66 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 26 L 9.37 4.58 0.00 1.67 1.60 0.94 0.97 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 27 G 9.16 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 0.00 0.00 0.00 28 D 8.51 4.40 0.00 2.68 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 29 D 8.09 4.53 0.00 2.79 2.78 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 30 G 8.31 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.83 4.74 0.00 1.77 1.66 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.37 7.81 32 A 8.64 4.71 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.27 4.55 0.00 1.79 1.79 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.35 7.81 34 V 8.38 4.30 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 0.72 0.00 0.00 1.03 0.00 0.00 35 L 8.79 4.07 0.00 1.66 1.66 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.65 4.40 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 37 P 0.00 4.00 0.00 2.04 2.09 0.00 3.49 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 38 E 7.69 5.07 0.00 1.72 1.76 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 2.19 2.24 0.00 39 T 8.95 4.83 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 40 D 8.58 4.83 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.76 4.09 0.00 1.76 1.66 0.90 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 42 P 0.00 4.31 0.00 2.16 2.12 0.00 3.61 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 43 C 8.29 4.45 0.00 3.29 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.21 4.21 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.00 3.98 0.00 1.96 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.51 7.81 46 D 8.15 4.34 0.00 2.87 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 47 A 8.42 3.90 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 48 A 7.71 3.86 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.16 4.42 0.00 2.78 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 50 S 7.53 4.55 0.00 3.81 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.44 4.13 0.00 2.82 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 52 P 0.00 4.40 0.00 2.19 2.14 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 53 T 7.64 4.40 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 54 G 8.00 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 55 A 7.41 4.17 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.04 4.89 1.80 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.51 1.07 0.00 0.00 57 S 9.07 4.76 0.00 3.86 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 58 V 8.51 4.73 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.08 0.00 0.00 *59 E 9.10 4.17 0.00 1.75 1.76 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 2.17 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.