NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3011 8.1801 122.5212 54.5244 43.2583 176.3999 4 A 4.0795 8.6218 126.6906 51.4298 18.8880 172.6298 5 V 4.2287 7.8855 120.2037 59.9260 32.8729 171.9766 6 P 4.9090 0.0000 0.0000 62.8769 32.4146 175.6162 7 G 3.5918 9.4252 108.7990 45.1102 0.0000 172.2425 8 K 4.3998 7.8259 124.3159 52.4666 34.4233 176.7279 9 V 3.9067 8.0634 126.9903 62.2156 31.1784 175.6043 10 I 4.2967 8.3708 124.0008 62.2078 39.4422 176.1154 11 E 4.7869 7.7606 118.9588 55.1540 34.4226 179.2038 12 V 4.1558 8.2404 119.2420 61.2245 33.6910 175.8878 13 N 5.0583 9.0555 127.7991 52.0740 39.8440 175.6400 14 G 4.0005 7.8133 115.8783 46.1329 0.0000 173.4401 15 P 4.4414 0.0000 0.0000 63.7727 32.0309 175.7211 16 V 5.0057 7.4749 111.7478 59.4756 34.9047 174.4918 17 A 5.0832 9.0868 125.3435 50.0963 22.6929 175.2074 18 V 4.4198 7.9478 119.7681 61.8893 33.1614 175.0139 19 V 4.5633 8.7665 127.8540 61.0188 34.9935 173.4675 20 D 5.0081 8.5347 127.7319 53.4142 42.6409 174.9839 21 F 4.5027 8.9360 125.3569 55.4482 40.4860 175.6290 22 G 3.9457 9.7175 115.9424 46.4296 0.0000 172.7126 23 G 3.8825 9.5913 109.3537 44.5112 0.0000 174.3388 24 V 4.0885 7.4728 120.4383 61.0658 31.8386 174.6997 25 K 4.7092 8.6085 127.8978 56.2680 32.5591 176.7493 26 R 4.7537 8.9784 124.3725 54.1296 33.6648 174.6576 27 E 4.6820 8.7516 123.7851 55.7843 30.7422 175.6747 28 V 4.6841 8.7775 126.5989 60.9995 35.1237 174.7330 29 R 4.5269 9.1180 127.0828 55.7155 31.5323 177.1642 30 L 4.9272 8.8921 123.0328 54.6722 42.5193 178.9079 31 D 4.2518 8.5381 122.1701 58.3496 40.7379 178.4387 32 L 4.4049 7.9387 117.3203 55.5882 41.4355 179.6109 33 M 4.9282 7.4659 115.6497 53.3127 31.7309 178.1581 34 P 4.4579 0.0000 0.0000 65.4172 32.5739 179.3566 35 D 4.3493 7.9524 115.7952 54.2767 40.0344 181.0988 36 T 4.0894 7.4021 117.7818 65.2262 68.0735 175.5077 37 K 4.4784 8.1419 129.1609 52.3827 32.1814 172.8919 *39 G 3.7924 8.0422 113.5383 45.6839 0.0000 171.9234 40 D 4.4872 7.5715 120.3863 53.5546 41.2520 179.8225 41 W 5.1405 8.6038 121.7756 55.6706 30.2018 176.2583 42 V 5.0000 9.3124 117.7922 58.5989 35.3813 174.5943 43 I 4.9279 8.1665 123.1406 59.7833 39.7636 174.6763 44 V 4.9690 8.5543 124.9616 61.5342 34.1574 174.4675 45 H 4.8112 9.0329 123.1919 55.7044 31.9671 173.6866 46 T 3.5093 9.7874 118.0819 64.4897 66.2557 173.0818 47 G 3.8719 8.4747 109.0691 46.2126 0.0000 173.8354 *48 F 5.0399 8.7007 119.1005 53.8920 40.5165 178.7007 49 A 4.4269 8.7739 129.3757 51.8013 18.0819 176.9615 50 I 4.2753 8.1105 116.6688 61.9818 39.5662 174.8647 51 E 4.3914 7.7336 121.6727 56.4399 32.2294 174.4777 *53 L 4.2597 8.5010 121.4213 54.3650 41.3627 173.4718 54 D 4.7833 8.4283 129.5290 55.0298 41.8273 175.1409 55 E 4.3223 8.9286 121.7807 62.5414 29.7822 181.5317 56 K 4.1929 8.0103 124.3625 59.3208 31.7725 180.8816 57 K 4.4825 8.0750 120.8328 58.9590 32.1918 178.7217 58 A 3.7514 7.8584 121.0812 55.2575 18.0497 179.5612 59 M 3.7381 7.7528 117.1562 58.2561 31.8437 178.6387 60 E 3.8997 7.9777 118.7521 59.7444 29.7100 179.6684 61 I 3.7229 7.6897 119.5077 64.3596 37.0469 178.6078 62 L 4.1630 8.1188 120.0831 57.6557 41.5264 179.1293 63 E 3.9226 8.5949 119.6218 58.9238 29.5317 178.7889 64 A 3.8974 7.8496 120.9495 54.9030 18.3962 179.6529 65 W 4.1326 8.3004 117.3196 59.7095 29.1240 178.3245 66 A 4.0885 8.4827 121.1553 55.4983 17.8756 179.6187 67 E 3.9073 8.0880 116.3393 59.5698 29.5545 179.7076 68 V 3.6080 7.8107 118.2242 66.1219 31.5456 177.9385 69 E 4.0831 8.7941 118.7459 59.2668 29.3078 179.1536 70 K 3.9666 8.2522 119.5108 59.4798 32.2337 178.7362 71 A 4.3432 7.9388 122.0587 55.1062 18.1434 179.6114 72 M 4.1439 8.1202 115.9786 58.2667 32.1034 178.1141 73 E 4.4163 8.3332 116.7391 56.9060 29.8969 177.3075 74 G 3.8793 8.3156 107.6451 45.5180 0.0000 173.7739 75 F 4.3706 8.4979 124.2901 57.2545 39.6200 175.1496 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 L 8.18 4.30 0.00 1.46 1.60 0.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.62 4.08 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 5 V 7.89 4.23 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 0.79 0.00 0.00 0.34 0.00 0.00 6 P 0.00 4.91 0.00 2.17 2.11 0.00 3.88 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 1.85 1.91 0.00 7 G 9.43 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.40 0.00 1.47 1.67 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.21 7.81 9 V 8.06 3.91 1.93 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 0.86 0.00 0.00 0.84 0.00 0.00 10 I 8.37 4.30 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.82 0.78 0.00 0.00 11 E 7.76 4.79 0.00 1.63 1.78 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 2.21 1.88 0.00 12 V 8.24 4.16 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 0.96 0.00 0.00 0.90 0.00 0.00 13 N 9.06 5.06 0.00 2.69 2.70 0.00 0.00 6.53 7.84 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 14 G 7.81 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 0.00 0.00 0.00 15 P 0.00 4.44 0.00 2.23 2.31 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 16 V 7.47 5.01 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 0.72 0.00 0.00 0.99 0.00 0.00 17 A 9.09 5.08 1.23 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 0.00 0.00 0.00 18 V 7.95 4.42 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 0.90 0.00 0.00 0.92 0.00 0.00 19 V 8.77 4.56 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 0.57 0.00 0.00 0.93 0.00 0.00 20 D 8.53 5.01 0.00 2.79 2.37 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 21 F 8.94 4.50 0.00 3.05 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.72 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 23 G 9.59 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 24 V 7.47 4.09 2.24 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 0.99 0.00 0.00 0.95 0.00 0.00 25 K 8.61 4.71 0.00 1.70 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.42 7.81 26 R 8.98 4.75 0.00 1.88 1.81 0.00 2.91 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 27 E 8.75 4.68 0.00 1.99 1.86 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 2.28 2.31 0.00 28 V 8.78 4.68 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 0.93 0.00 0.00 1.06 0.00 0.00 29 R 9.12 4.53 0.00 1.76 2.00 0.00 3.30 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 30 L 8.89 4.93 0.00 1.72 1.81 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.54 4.25 0.00 2.65 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 32 L 7.94 4.40 0.00 1.66 1.55 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 33 M 7.47 4.93 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 34 P 0.00 4.46 0.00 2.21 2.33 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 35 D 7.95 4.35 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.40 4.09 4.33 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 1.19 0.00 0.00 37 K 8.14 4.48 0.00 1.72 1.56 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 0.96 7.81 *39 G 8.04 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 0.00 0.00 0.00 40 D 7.57 4.49 0.00 2.38 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 41 W 8.60 5.14 0.00 3.18 3.14 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 0.00 0.00 0.00 42 V 9.31 5.00 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 1.09 0.00 0.00 0.95 0.00 0.00 43 I 8.17 4.93 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 1.03 0.00 0.00 44 V 8.55 4.97 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 0.90 0.00 0.00 1.20 0.00 0.00 45 H 9.03 4.81 0.00 3.21 3.15 0.00 6.01 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 9.79 3.51 4.26 0.00 0.00 0.00 0.00 0.00 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 47 G 8.47 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 0.00 0.00 0.00 *48 F 8.70 5.04 0.00 2.09 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 0.00 0.00 0.00 0.00 49 A 8.77 4.43 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 50 I 8.11 4.28 1.86 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.90 0.99 0.00 0.00 51 E 7.73 4.39 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 *53 L 8.50 4.26 0.00 1.73 1.55 0.92 0.87 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 54 D 8.43 4.78 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.93 4.32 0.00 1.96 1.99 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 2.32 1.95 0.00 56 K 8.01 4.19 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 57 K 8.07 4.48 0.00 1.83 2.00 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.39 7.81 58 A 7.86 3.75 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 M 7.75 3.74 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.66 0.00 60 E 7.98 3.90 0.00 2.23 1.95 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 2.29 2.42 0.00 61 I 7.69 3.72 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.78 1.12 0.00 0.00 62 L 8.12 4.16 0.00 1.74 1.69 0.46 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.59 3.92 0.00 2.25 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 2.28 2.35 0.00 64 A 7.85 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 65 W 8.30 4.13 0.00 3.59 3.41 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 66 A 8.48 4.09 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 67 E 8.09 3.91 0.00 2.25 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 2.32 2.30 0.00 68 V 7.81 3.61 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 1.11 0.00 0.00 0.70 0.00 0.00 69 E 8.79 4.08 0.00 2.26 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 2.45 2.66 0.00 70 K 8.25 3.97 0.00 1.99 2.01 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.37 7.81 71 A 7.94 4.34 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 72 M 8.12 4.14 0.00 2.07 2.35 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.64 0.00 73 E 8.33 4.42 0.00 2.40 2.33 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 2.45 2.53 0.00 74 G 8.32 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 75 F 8.50 4.37 0.00 3.23 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 * Residues marked with a * may have inaccurate shift predictions.