NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3343 8.3449 121.7207 55.4922 29.8198 174.9960 4 K 4.1340 8.6818 125.0159 55.8618 32.9261 173.2217 5 E 4.6066 9.2836 120.9399 55.8925 31.7663 176.1509 6 W 5.2654 8.4840 120.5994 54.3353 29.6453 172.6893 7 P 4.6549 0.0000 0.0000 62.4623 33.1813 176.3771 8 L 4.8007 8.2789 121.9035 54.3620 43.6857 175.1865 9 W 5.3397 9.3384 125.0625 54.9976 33.1560 174.1662 10 E 4.8750 9.8366 123.8769 55.1636 31.3669 175.1424 11 V 4.9815 8.3253 123.2551 61.1320 34.3534 174.2247 12 F 5.2999 9.7600 126.2589 55.6643 42.5422 174.2418 13 V 4.8449 8.8944 122.6125 60.9785 35.0716 174.0329 14 R 4.7381 8.7284 127.7594 54.1819 32.3408 175.7284 15 S 4.6312 8.4883 121.1175 57.3605 63.8713 174.3686 16 K 4.5014 8.2777 120.3550 59.5280 31.7516 177.2196 17 Q 4.2562 7.8755 115.4023 56.2472 29.1198 176.7803 18 G 3.8223 7.5763 107.3776 44.8364 0.0000 173.9909 19 L 4.2665 8.4067 121.6630 55.9222 42.4848 176.6387 20 E 4.7511 7.5217 113.2905 54.3019 33.1407 175.1477 21 H 4.3224 8.4985 117.7131 55.6081 29.4751 175.0252 22 K 4.7400 8.9497 122.9575 54.4155 35.1086 175.1451 23 H 4.4307 9.1413 124.9720 56.5582 29.9639 174.3906 24 C 4.4571 9.6614 119.2919 57.3554 31.0300 174.8710 25 G 3.7068 5.7597 105.4790 45.6511 0.0000 171.0906 26 S 5.4748 7.9240 114.9584 57.1116 67.0745 173.2924 27 L 4.6530 8.7832 119.7102 55.5636 43.9468 173.3583 28 H 5.7824 8.9924 117.0907 54.7886 30.2051 174.3582 29 A 4.7543 9.1919 123.6206 50.9546 21.8464 176.6250 30 T 3.8472 9.2851 110.9917 63.4587 69.3013 174.5183 31 D 4.7317 7.1522 120.1817 51.3137 43.1667 175.6971 32 A 2.8449 8.3137 120.4054 55.0696 18.2422 179.7426 33 Q 3.8313 7.8046 116.1642 58.9319 28.6505 178.3913 34 Q 3.8616 8.2479 120.0272 58.7801 29.0948 177.6692 35 A 3.8705 7.3814 121.3455 54.8223 18.5439 179.2298 36 L 4.1176 7.7892 117.5375 58.2421 41.6937 179.5788 37 H 3.9609 7.9324 114.4289 57.4997 29.8485 176.1627 *39 A 4.4294 7.8861 123.6005 52.0139 20.6120 179.4139 40 R 4.0050 8.3485 117.2430 59.0382 29.5051 178.5032 41 D 4.2254 7.8206 117.8667 57.4643 40.7805 179.0529 42 V 3.2456 7.6239 116.7341 65.2960 31.2994 175.8947 43 Y 4.6961 8.4870 115.9021 58.6127 39.7476 177.1924 44 T 4.3793 7.9362 107.6575 60.7076 70.1236 174.6929 45 R 3.4381 8.0867 119.8713 57.5015 28.2037 176.4263 46 R 3.8539 8.0576 111.5448 56.8703 28.4224 176.5622 47 Q 3.9701 7.7537 118.2445 56.4785 29.3311 176.7737 48 E 4.0103 8.5473 124.2987 57.8187 30.3266 177.1884 49 G 3.8747 8.9663 109.5932 45.5362 0.0000 172.2834 50 V 4.6652 7.5108 118.6380 60.8968 33.6046 174.6953 51 S 4.7851 8.8424 122.8674 56.9555 64.1307 172.4938 52 I 5.0638 8.5081 127.3495 59.3805 39.5938 174.7598 53 W 5.1671 9.7857 126.7883 55.0787 31.7740 175.1019 54 V 5.2599 8.7212 117.1931 59.8004 34.2630 175.4098 55 V 4.7774 9.1122 123.5250 60.5054 35.1536 172.7742 56 P 3.9337 0.0000 0.0000 62.4590 31.9713 177.0332 57 S 4.0744 8.5763 118.7949 62.1316 62.8998 177.1277 58 T 3.7975 7.6985 107.8334 63.8995 68.4132 174.6323 59 A 4.1730 7.8748 124.0555 53.0396 19.0099 177.0207 60 I 4.2750 7.6637 117.6357 59.9732 38.2740 175.2365 61 T 4.4374 8.4507 121.7821 61.7077 70.0461 173.9100 62 A 4.6387 8.2927 129.4325 50.3232 20.7693 176.7362 63 S 4.2518 8.3092 114.2608 57.9124 63.9007 173.7655 64 A 4.3064 8.2892 125.1683 50.5899 19.0223 175.9788 65 P 4.4257 0.0000 0.0000 63.2474 31.3754 176.3141 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 Q 8.34 4.33 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 4 K 8.68 4.13 0.00 1.98 1.69 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.58 7.81 5 E 9.28 4.61 0.00 2.04 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 2.42 2.30 0.00 6 W 8.48 5.27 0.00 3.24 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 7 P 0.00 4.65 0.00 1.86 2.16 0.00 4.12 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 2.36 2.00 0.00 8 L 8.28 4.80 0.00 1.78 1.50 0.82 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 9 W 9.34 5.34 0.00 3.39 3.16 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 0.00 10 E 9.84 4.88 0.00 2.01 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 11 V 8.33 4.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.06 0.00 0.00 12 F 9.76 5.30 0.00 3.08 2.91 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 13 V 8.89 4.84 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 1.01 0.00 0.00 0.91 0.00 0.00 14 R 8.73 4.74 0.00 1.07 1.27 0.00 3.23 0.00 0.00 2.92 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.41 0.00 15 S 8.49 4.63 0.00 4.01 3.96 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 16 K 8.28 4.50 0.00 1.98 1.85 0.00 1.71 0.00 0.00 2.36 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.02 7.81 17 Q 7.88 4.26 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 18 G 7.58 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.41 4.27 0.00 1.61 1.70 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.52 4.75 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 21 H 8.50 4.32 0.00 2.49 3.02 0.00 5.84 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.95 4.74 0.00 1.62 1.68 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.31 7.81 23 H 9.14 4.43 0.00 3.14 3.19 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 9.66 4.46 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 25 G 5.76 3.71 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 0.00 0.00 0.00 26 S 7.92 5.47 0.00 3.77 3.78 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 27 L 8.78 4.65 0.00 1.89 1.87 1.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.99 5.78 0.00 3.28 3.81 0.00 5.90 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 9.19 4.75 0.91 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 30 T 9.29 3.85 3.89 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 -0.14 0.00 0.00 31 D 7.15 4.73 0.00 2.90 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 32 A 8.31 2.84 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 33 Q 7.80 3.83 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 34 Q 8.25 3.86 0.00 1.83 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 35 A 7.38 3.87 0.45 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 36 L 7.79 4.12 0.00 1.82 1.73 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 37 H 7.93 3.96 0.00 3.23 3.39 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 A 7.89 4.43 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.01 0.00 1.98 2.11 0.00 3.15 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 41 D 7.82 4.23 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 3.25 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 -0.09 0.00 0.00 0.78 0.00 0.00 43 Y 8.49 4.70 0.00 3.14 2.85 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 0.00 0.00 0.00 44 T 7.94 4.38 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 1.27 0.00 0.00 45 R 8.09 3.44 0.00 1.87 2.02 0.00 3.32 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 46 R 8.06 3.85 0.00 1.97 2.00 0.00 3.18 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 47 Q 7.75 3.97 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.13 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 48 E 8.55 4.01 0.00 2.00 1.87 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 2.32 2.31 0.00 49 G 8.97 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 50 V 7.51 4.67 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 0.80 0.00 0.00 0.92 0.00 0.00 51 S 8.84 4.79 0.00 3.92 3.53 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 52 I 8.51 5.06 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.83 1.02 0.00 0.00 53 W 9.79 5.17 0.00 3.33 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 54 V 8.72 5.26 2.28 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 0.76 0.00 0.00 0.95 0.00 0.00 55 V 9.11 4.78 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 1.03 0.00 0.00 1.14 0.00 0.00 56 P 0.00 3.93 0.00 1.83 1.05 0.00 3.80 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 57 S 8.58 4.07 0.00 3.81 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 T 7.70 3.80 4.17 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 0.00 0.00 1.13 0.00 0.00 59 A 7.87 4.17 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 60 I 7.66 4.28 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.69 0.95 0.00 0.00 61 T 8.45 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 62 A 8.29 4.64 1.24 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 0.00 0.00 0.00 63 S 8.31 4.25 0.00 4.00 3.89 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 64 A 8.29 4.31 1.26 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 0.00 0.00 0.00 65 P 0.00 4.43 0.00 2.05 2.01 0.00 3.72 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 2.04 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.