NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2521 8.4449 121.4696 55.3793 31.0119 175.8337 5 P 4.2579 0.0000 0.0000 60.6270 32.2986 175.2357 6 C 4.2850 8.2265 120.1968 59.1468 31.0538 174.0319 7 V 3.9039 8.2222 126.1946 63.0738 31.8201 176.3125 8 E 4.7964 7.5497 118.2601 55.1345 29.4004 175.6840 9 S 4.5471 7.7292 110.0696 57.9781 66.1636 175.1929 10 L 4.4817 7.7617 121.1680 54.9591 42.3586 176.2103 *12 S 3.8349 8.0255 108.9369 57.1434 63.8299 175.2472 13 Q 4.0597 7.6452 120.6547 58.6824 28.3784 177.5498 14 Y 4.4080 7.2650 117.4520 58.9636 38.2792 177.4293 15 F 4.5384 8.2684 123.4238 61.4329 39.1490 176.8545 16 Q 3.8196 8.1184 117.1076 58.4762 28.4445 178.2027 17 T 4.2003 7.6917 116.1766 65.6243 69.0221 177.0723 18 V 3.7309 7.7621 120.6001 66.1282 31.5407 178.0031 19 T 3.8408 7.7585 112.9424 65.0003 67.1728 176.0498 20 D 4.3876 7.5637 120.9352 57.2360 39.8881 177.9758 21 Y 4.9271 7.6001 121.7676 60.1382 38.8757 178.2414 22 G 3.7594 7.9931 106.2730 47.2552 0.0000 175.9677 23 K 4.0856 7.9691 120.5615 59.0947 31.9205 179.1355 24 D 4.6429 7.8908 120.8674 56.6929 40.3724 178.4479 25 L 3.9134 7.2979 121.3622 58.1322 42.0454 178.6057 26 M 4.0094 7.8031 117.8789 58.6693 31.8407 178.1186 27 E 4.0291 8.3111 118.8095 59.0379 29.4548 178.7998 28 K 4.1789 7.6530 116.0836 57.7820 32.2610 178.2338 29 V 4.1335 7.0678 117.3550 63.9630 31.5180 177.3464 30 K 4.7502 8.1712 120.0892 58.4722 31.9766 179.4922 31 S 4.3180 7.9098 115.1808 60.8644 63.3225 174.7914 32 P 5.1969 0.0000 0.0000 64.6432 31.2262 178.0639 33 E 4.1120 7.8046 118.8907 58.6466 29.0438 178.4420 34 L 4.5184 7.6335 117.7995 54.8034 42.7372 177.0722 35 Q 4.3877 7.2816 116.0974 55.3504 31.3918 173.0294 36 A 4.5474 7.8239 126.2176 51.7623 21.8177 173.8224 37 E 3.9682 8.6068 116.5645 56.1029 30.2303 177.4400 38 A 4.1559 8.0387 125.3935 50.7775 21.7515 177.4772 39 K 4.0747 7.9262 116.0658 59.7058 31.7261 179.2547 40 S 4.4802 7.9150 115.1998 61.0710 62.8047 175.8838 41 Y 4.0767 7.6064 119.3098 59.8380 37.4404 176.6826 42 F 5.2291 7.6157 115.1730 56.2413 39.9037 176.7874 43 E 4.2417 8.0846 121.0961 59.1954 29.7048 178.3433 44 K 4.4257 8.1034 118.8256 56.9095 32.4172 178.5077 45 S 4.1931 7.9813 114.2511 62.2169 63.0996 176.2998 46 K 4.1529 7.8031 121.4351 58.6177 31.5974 178.1663 47 E 4.3429 7.8775 117.3645 56.6953 29.3129 177.8152 48 Q 4.3845 7.7128 119.5252 56.9962 30.8907 177.5713 49 L 4.1903 7.7539 119.3930 57.8234 41.8980 179.3418 50 T 3.9411 7.8059 115.4307 66.3551 68.6377 175.1235 51 P 4.3100 0.0000 0.0000 65.0770 31.0525 178.4073 52 L 3.9914 7.3426 117.6381 58.0250 41.8765 178.5860 53 I 4.0017 7.6136 119.2526 63.8673 37.4324 177.6004 54 K 4.2320 8.1606 117.4462 57.3671 31.8431 178.8367 55 K 3.9777 7.9953 120.4732 59.0502 31.9657 178.2698 56 A 4.0254 7.8126 120.7847 54.5893 17.9203 179.6501 57 G 3.5651 7.7686 104.1342 47.4943 0.0000 174.3707 58 T 4.4720 7.2085 112.6591 61.2259 67.1336 173.5984 59 E 4.1583 6.7454 117.8068 56.7574 32.6964 177.5455 60 L 3.4479 7.3942 117.1615 57.6503 41.7689 179.6728 61 V 3.5882 7.8674 118.4505 66.0234 31.2519 177.8118 62 N 4.4171 7.4533 115.0693 55.8651 37.7278 177.3845 63 F 4.2602 7.5952 119.7306 60.2506 38.7166 177.5858 64 L 4.3203 7.4427 116.8497 58.0730 41.7550 179.2707 65 S 4.2642 8.0429 112.5254 61.3767 62.5141 175.2890 66 Y 4.7592 7.4748 123.3303 60.1241 38.2019 178.0841 67 F 4.1685 7.1650 117.1896 60.5472 39.4312 177.4828 68 V 3.8020 7.6319 116.2564 66.1374 31.4206 176.6145 69 E 3.8316 7.9310 115.9770 59.7180 29.7995 177.3646 70 L 4.4772 7.6829 119.4619 55.2188 42.1557 177.0866 71 G 4.1322 7.3051 106.3216 45.6213 0.0000 174.8388 72 T 4.6112 7.5693 115.5843 64.0620 75.7306 174.7031 73 Q 4.1931 8.0233 120.7376 55.1633 30.0372 176.1928 74 P 4.7452 0.0000 0.0000 61.5818 30.7585 176.0876 75 A 4.7367 8.2557 128.7379 52.4406 21.4782 173.9556 76 T 4.6786 7.4276 108.1742 62.6953 75.6128 173.9615 77 Q 4.1418 7.9360 125.8666 55.4738 28.8615 176.1827 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 4 E 8.44 4.25 0.00 1.94 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 2.19 2.34 0.00 5 P 0.00 4.26 0.00 2.16 1.96 0.00 3.73 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 2.02 2.13 0.00 6 C 8.23 4.29 0.00 2.95 2.84 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 0.00 0.00 0.00 0.00 7 V 8.22 3.90 2.07 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 0.77 0.00 0.00 0.92 0.00 0.00 8 E 7.55 4.80 0.00 1.95 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 2.19 2.17 0.00 9 S 7.73 4.55 0.00 3.89 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 10 L 7.76 4.48 0.00 1.56 1.63 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 *12 S 8.03 3.83 0.00 3.76 3.73 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 Q 7.65 4.06 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 14 Y 7.27 4.41 0.00 3.11 3.25 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 0.00 15 F 8.27 4.54 0.00 3.18 3.42 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 16 Q 8.12 3.82 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.50 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 17 T 7.69 4.20 4.46 0.00 0.00 0.00 0.00 0.00 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 18 V 7.76 3.73 2.36 0.00 0.00 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 1.17 0.00 0.00 19 T 7.76 3.84 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 1.02 0.00 0.00 20 D 7.56 4.39 0.00 2.82 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 21 Y 7.60 4.93 0.00 3.11 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 22 G 7.99 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.97 4.09 0.00 2.00 1.85 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.72 7.81 24 D 7.89 4.64 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.30 3.91 0.00 1.68 1.75 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.80 4.01 0.00 2.28 2.01 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 2.58 2.57 0.00 27 E 8.31 4.03 0.00 2.22 1.97 0.00 0.00 0.00 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 2.58 0.00 28 K 7.65 4.18 0.00 1.85 1.84 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.63 7.81 29 V 7.07 4.13 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 0.86 0.00 0.00 1.02 0.00 0.00 30 K 8.17 4.75 0.00 1.99 1.83 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.55 7.81 31 S 7.91 4.32 0.00 3.99 4.11 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 0.00 0.00 0.00 32 P 0.00 5.20 0.00 2.28 2.34 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.04 0.00 33 E 7.80 4.11 0.00 2.36 2.05 0.00 0.00 0.00 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 2.58 0.00 34 L 7.63 4.52 0.00 1.77 1.71 0.92 0.69 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 35 Q 7.28 4.39 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.44 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 36 A 7.82 4.55 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.61 3.97 0.00 1.81 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 1.95 2.18 0.00 38 A 8.04 4.16 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 39 K 7.93 4.07 0.00 1.81 1.87 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.48 7.81 40 S 7.91 4.48 0.00 4.12 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.61 4.08 0.00 2.74 2.30 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 42 F 7.62 5.23 0.00 3.09 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 43 E 8.08 4.24 0.00 2.10 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 2.36 2.59 0.00 44 K 8.10 4.43 0.00 1.82 1.77 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.48 7.81 45 S 7.98 4.19 0.00 4.19 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 0.00 46 K 7.80 4.15 0.00 1.90 1.92 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.54 7.81 47 E 7.88 4.34 0.00 2.27 1.96 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 2.33 2.29 0.00 48 Q 7.71 4.38 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.98 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 49 L 7.75 4.19 0.00 1.70 1.72 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.81 3.94 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 51 P 0.00 4.31 0.00 2.15 2.09 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.14 0.00 52 L 7.34 3.99 0.00 1.84 1.92 0.92 1.06 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 53 I 7.61 4.00 1.98 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 0.87 0.91 0.00 0.00 54 K 8.16 4.23 0.00 1.84 1.82 0.00 1.55 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 55 K 8.00 3.98 0.00 2.01 1.95 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.40 1.43 7.81 56 A 7.81 4.03 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 57 G 7.77 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.21 4.47 4.19 0.00 0.00 0.00 0.00 0.00 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 59 E 6.75 4.16 0.00 1.92 1.58 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 2.04 2.22 0.00 60 L 7.39 3.45 0.00 1.72 1.67 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.87 3.59 2.19 0.00 0.00 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 0.91 0.00 0.00 62 N 7.45 4.42 0.00 2.84 2.78 0.00 0.00 6.96 8.01 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 63 F 7.60 4.26 0.00 3.17 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 64 L 7.44 4.32 0.00 1.89 1.86 1.13 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.04 4.26 0.00 3.90 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 66 Y 7.47 4.76 0.00 3.14 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 67 F 7.17 4.17 0.00 3.24 2.94 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 68 V 7.63 3.80 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 1.05 0.00 0.00 1.00 0.00 0.00 69 E 7.93 3.83 0.00 2.20 1.84 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 0.00 2.34 2.55 0.00 70 L 7.68 4.48 0.00 1.56 1.65 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.31 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 72 T 7.57 4.61 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 1.21 0.00 0.00 73 Q 8.02 4.19 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 74 P 0.00 4.75 0.00 2.03 1.75 0.00 3.65 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 2.02 2.08 0.00 75 A 8.26 4.74 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.43 4.68 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 77 Q 7.94 4.14 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.