NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 L 4.2417 8.0385 122.4907 55.1503 44.1354 178.7939 11 A 3.6921 7.8933 120.1505 54.7078 18.1897 177.8280 12 D 4.3184 8.8657 118.3769 57.6236 41.3580 177.3023 13 I 3.8333 7.5152 119.7280 64.3243 37.3776 178.5056 14 R 3.9852 8.7981 119.5154 59.0216 29.7924 178.7798 15 E 3.9540 8.1072 118.9924 59.0769 29.6616 178.6364 16 A 4.0169 7.8820 120.5199 55.0799 18.3168 179.7636 17 I 3.6717 7.8110 118.3518 64.6547 37.1621 178.2619 18 D 4.3606 8.1183 119.7212 57.4907 40.5695 178.9715 19 R 3.9043 8.1603 119.0718 59.3755 29.9766 178.7153 20 I 3.7063 7.8983 119.5772 64.5712 37.1700 178.1172 21 D 4.3460 8.4065 120.0918 57.1799 40.5282 178.6956 22 L 3.9394 8.3254 121.1819 58.2834 42.0676 178.4518 23 D 4.4211 8.2995 119.0686 57.7527 40.7029 179.2628 24 I 3.7190 8.0252 120.0978 64.3024 37.0355 178.6480 25 V 3.5973 7.9026 119.0374 66.2324 31.4120 178.0819 26 Q 3.9970 8.5188 117.9222 58.8446 28.4411 178.6605 27 A 4.0773 8.4242 122.1795 55.2891 18.4612 179.7172 28 L 4.1799 8.4444 117.9473 57.7050 41.7343 179.9949 29 G 3.6461 8.4844 105.9972 48.0131 0.0000 175.9280 30 R 4.1510 8.1599 121.1555 58.8134 30.0095 178.9667 31 R 4.1654 8.4613 118.7015 59.9044 29.9895 178.1932 32 M 4.1595 8.4163 117.7847 58.7924 32.2363 177.6442 33 D 4.2639 8.0134 118.8297 57.7556 40.7620 178.6879 34 Y 4.0669 7.8168 115.6905 61.0455 38.1377 178.3087 35 V 3.8743 8.2790 119.4047 66.1942 31.3652 178.2475 36 K 3.7619 8.4180 118.2897 59.2716 31.9008 179.2071 37 A 4.0426 8.0994 120.6435 54.6483 18.2693 179.3591 38 A 4.4160 7.9363 119.0550 55.0510 18.1624 179.8537 39 S 4.1626 7.7060 113.4468 61.6666 62.9923 175.7515 40 R 4.1309 7.2667 112.7526 56.7985 30.6840 176.0163 41 F 4.8543 7.9378 116.0930 57.6614 38.5240 174.2408 *51 P 4.4726 0.0000 0.0000 63.2764 33.5169 178.6347 52 E 4.1707 7.9344 117.5169 58.2701 29.7724 178.5382 53 R 3.8496 7.8253 118.4964 59.3745 29.7444 178.5029 54 V 3.5547 7.8087 117.3930 65.9767 31.2944 177.6991 55 A 3.9875 7.4556 118.5700 54.9858 18.6368 179.1901 56 A 4.0235 7.9404 119.4508 55.2760 18.4438 179.8076 57 M 3.8673 8.0568 117.2295 58.4563 32.0355 179.0536 58 L 3.8054 7.3794 118.0050 57.4136 41.8579 177.7309 59 P 4.1091 0.0000 0.0000 65.4618 31.1975 178.2321 60 E 3.4857 7.3917 116.9357 59.2226 29.4875 179.2112 61 R 3.0753 7.2289 117.6981 58.5594 29.9241 178.8404 62 A 3.9590 7.8738 120.8813 55.1637 18.3511 179.6823 63 R 3.8448 7.7427 117.1681 59.2690 30.1613 178.7170 64 W 4.4104 8.0311 118.6250 59.6809 29.0421 178.1810 65 A 4.0743 8.1692 120.6837 55.3561 17.8772 179.2950 66 E 3.9242 8.2131 117.7336 59.4939 29.5021 178.6188 67 E 4.0758 8.3559 118.2809 58.5664 29.6427 177.5172 68 N 4.9371 7.8226 114.3980 52.2841 38.9996 175.0946 69 G 3.9416 7.9010 107.4429 46.4945 0.0000 174.0118 70 L 4.7898 8.1542 118.4659 52.0032 44.4707 176.6448 71 D 4.4391 8.6267 119.8477 54.2968 42.0507 176.8817 72 A 3.9876 8.6724 129.2049 54.9193 18.6868 177.2022 73 P 4.2227 0.0000 0.0000 65.8236 31.4292 178.3189 74 F 4.2922 8.8204 119.3201 61.5859 39.3446 177.3383 75 V 3.2087 7.8916 117.6560 65.8384 31.2817 177.6328 76 E 4.1145 8.8451 119.6985 59.1936 29.4273 179.0771 77 G 3.5587 8.1063 105.8984 47.5874 0.0000 175.6687 78 L 3.7618 7.6870 121.2969 57.6893 41.5188 179.7558 79 F 4.0780 8.2502 117.3912 60.0889 38.7914 177.5398 80 A 4.0372 8.3516 120.9366 55.4997 18.1230 179.7372 81 Q 4.0668 8.0452 116.3778 59.0461 28.6381 179.2274 82 I 3.8146 7.6917 120.8303 64.4133 37.2103 178.4399 83 I 3.7209 8.0761 120.9327 64.6916 36.8696 177.7284 84 H 4.1839 8.3838 118.9498 59.3051 29.5856 177.0142 85 W 4.1464 8.6830 130.0440 60.8232 30.5472 177.6185 86 Y 3.9474 8.9205 117.0334 61.1656 37.2496 178.7597 87 T 3.8804 8.2174 116.6376 66.6230 68.7365 176.5657 88 A 3.8789 7.5819 122.7677 55.0910 18.2843 179.4946 89 E 3.6416 7.9311 117.2652 59.5283 29.2551 179.3946 90 Q 4.0294 8.1079 118.8914 59.0188 29.0915 178.2950 91 I 3.8788 7.4474 120.5827 64.2280 37.3265 178.2148 92 K 4.0329 7.7488 120.1347 60.1483 32.6783 177.1301 *93 Y 4.3784 7.9853 122.6469 56.9307 37.8835 178.5447 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 10 L 8.04 4.24 0.00 1.74 1.72 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.89 3.69 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 12 D 8.87 4.32 0.00 2.70 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 13 I 7.52 3.83 1.99 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 1.64 0.54 0.91 0.00 0.00 14 R 8.80 3.99 0.00 1.86 1.98 0.00 3.12 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 15 E 8.11 3.95 0.00 2.10 2.17 0.00 0.00 0.00 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 2.37 0.00 16 A 7.88 4.02 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 17 I 7.81 3.67 2.00 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 1.53 0.70 0.92 0.00 0.00 18 D 8.12 4.36 0.00 2.86 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 19 R 8.16 3.90 0.00 2.03 2.11 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 20 I 7.90 3.71 2.01 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 1.53 0.57 0.93 0.00 0.00 21 D 8.41 4.35 0.00 2.94 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.33 3.94 0.00 1.82 1.88 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.30 4.42 0.00 2.96 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 24 I 8.03 3.72 2.03 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 1.43 0.87 0.89 0.00 0.00 25 V 7.90 3.60 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 1.13 0.00 0.00 1.00 0.00 0.00 26 Q 8.52 4.00 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 27 A 8.42 4.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.44 4.18 0.00 1.98 1.94 0.93 1.09 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 29 G 8.48 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 0.00 0.00 0.00 30 R 8.16 4.15 0.00 2.17 2.24 0.00 3.22 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 31 R 8.46 4.17 0.00 2.16 2.36 0.00 2.98 0.00 0.00 2.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 32 M 8.42 4.16 0.00 2.30 1.95 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 33 D 8.01 4.26 0.00 2.73 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 0.00 0.00 0.00 34 Y 7.82 4.07 0.00 3.25 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 35 V 8.28 3.87 2.38 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 1.11 0.00 0.00 1.24 0.00 0.00 36 K 8.42 3.76 0.00 1.68 1.25 0.00 1.40 0.00 0.00 1.05 0.00 0.00 2.46 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 1.12 7.81 37 A 8.10 4.04 1.45 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 0.00 0.00 0.00 38 A 7.94 4.42 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.71 4.16 0.00 4.16 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 40 R 7.27 4.13 0.00 1.68 1.79 0.00 2.70 0.00 0.00 3.01 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 41 F 7.94 4.85 0.00 3.17 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 *51 P 0.00 4.47 0.00 2.24 2.35 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 52 E 7.93 4.17 0.00 2.07 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 0.00 2.35 2.41 0.00 53 R 7.83 3.85 0.00 1.91 1.92 0.00 3.21 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 54 V 7.81 3.55 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 0.95 0.00 0.00 55 A 7.46 3.99 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 56 A 7.94 4.02 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 57 M 8.06 3.87 0.00 1.94 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.49 0.00 58 L 7.38 3.81 0.00 1.65 1.81 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.11 0.00 2.03 2.02 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 60 E 7.39 3.49 0.00 1.95 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 1.62 2.08 0.00 61 R 7.23 3.08 0.00 1.58 1.53 0.00 2.88 0.00 0.00 2.47 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 62 A 7.87 3.96 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 63 R 7.74 3.84 0.00 1.84 1.97 0.00 3.10 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 64 W 8.03 4.41 0.00 3.52 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 65 A 8.17 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.21 3.92 0.00 2.10 2.14 0.00 0.00 0.00 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 67 E 8.36 4.08 0.00 2.42 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 0.00 2.36 2.41 0.00 68 N 7.82 4.94 0.00 2.89 2.85 0.00 0.00 7.01 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.90 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 70 L 8.15 4.79 0.00 1.79 1.72 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.63 4.44 0.00 2.84 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 72 A 8.67 3.99 1.39 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 0.00 0.00 73 P 0.00 4.22 0.00 2.35 2.17 0.00 4.00 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 74 F 8.82 4.29 0.00 3.09 3.33 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 75 V 7.89 3.21 2.16 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 1.17 0.00 0.00 1.06 0.00 0.00 76 E 8.85 4.11 0.00 2.15 1.94 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 2.30 2.44 0.00 77 G 8.11 3.56 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 0.00 0.00 0.00 78 L 7.69 3.76 0.00 1.40 1.24 0.26 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.25 4.08 0.00 3.03 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 80 A 8.35 4.04 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 81 Q 8.05 4.07 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 82 I 7.69 3.81 1.88 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.62 0.45 0.00 0.00 83 I 8.08 3.72 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.00 0.97 0.00 0.00 84 H 8.38 4.18 0.00 3.40 3.67 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 8.68 4.15 0.00 3.61 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.92 3.95 0.00 3.18 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.22 3.88 4.41 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 1.23 0.00 0.00 88 A 7.58 3.88 1.03 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 89 E 7.93 3.64 0.00 1.84 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 1.47 2.07 0.00 90 Q 8.11 4.03 0.00 2.19 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 91 I 7.45 3.88 1.98 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 1.56 0.76 0.87 0.00 0.00 92 K 7.75 4.03 0.00 1.90 1.87 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.50 1.38 7.81 *93 Y 7.99 4.38 0.00 2.72 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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.