NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 I 4.2745 8.0093 121.4547 60.7329 40.7494 175.7075 29 N 4.4439 8.5818 113.5641 51.2845 37.7987 173.6272 30 T 4.2232 9.4707 104.7282 61.4977 71.8256 177.3795 31 V 3.1953 9.0027 119.9251 63.7191 30.7530 171.2828 32 G 3.6412 8.3968 102.0851 46.3211 0.0000 174.6070 33 Y 4.3409 7.7301 118.7356 59.8680 38.7434 178.0064 34 L 3.5572 7.2021 120.3816 56.8916 41.5027 178.7598 35 E 3.6474 8.0604 118.6987 59.5893 29.5199 178.9627 36 Q 4.5202 8.2845 117.3059 59.1591 28.7312 178.9241 37 K 3.9518 7.6243 120.4468 59.6098 32.2251 178.6387 38 M 3.8164 7.9006 118.4135 58.7022 32.1739 178.3048 39 F 4.2117 7.8409 117.8932 60.3036 39.0041 177.5852 40 A 3.2554 7.6896 120.2791 54.8010 18.1445 179.5591 41 A 3.8865 7.6019 119.3880 55.3993 18.3890 179.8064 42 M 3.9176 7.8664 117.2907 58.4676 32.0219 179.1324 43 V 3.4190 7.4966 118.1314 65.8412 31.6343 177.8375 44 A 3.9474 7.9528 120.4675 55.3093 18.1846 179.3645 45 D 4.2444 8.1333 117.2902 57.5359 40.9619 178.7601 46 N 4.2404 8.0249 116.9591 56.4931 38.5569 177.5599 47 Q 3.6342 7.8491 119.3615 58.7760 28.5633 178.3383 48 M 4.2026 8.1667 119.7341 58.5244 31.7739 178.6892 49 A 4.0029 7.7234 119.8149 55.4300 18.5460 179.3516 50 M 4.0831 7.7350 116.7808 58.3160 32.0524 179.1563 51 V 3.4735 7.7781 118.4844 65.8556 31.3963 177.7938 52 M 4.1832 7.4939 117.3776 57.4816 31.8316 178.2046 53 L 4.2884 7.3249 119.1820 56.2229 43.0534 177.0239 54 N 4.9719 7.3742 114.6297 50.3365 37.0942 172.0227 55 P 4.2576 0.0000 0.0000 66.0212 32.3390 178.1976 56 K 3.6204 8.0564 117.7780 57.3930 32.1585 172.2431 57 N 3.9446 8.6291 127.8046 52.2841 38.7223 173.7145 *59 K 3.9478 8.4371 121.4570 56.1441 33.2101 174.4737 60 A 4.8226 8.4449 127.5799 51.2271 20.3797 176.3278 61 S 4.7970 9.0650 116.3084 57.1921 67.9290 172.6383 62 N 4.6257 8.1313 119.0071 52.4542 42.2822 174.3482 63 G 3.4857 6.1120 107.6157 46.0879 0.0000 171.7738 64 E 5.2781 8.8864 118.3720 54.6197 33.8352 175.1368 65 E 4.7304 9.3519 123.1293 54.5885 33.3324 173.6857 66 E 4.8334 8.9769 128.3855 55.4515 30.6336 175.3000 67 L 4.4654 9.3582 127.8517 54.9417 45.5123 174.9054 68 A 3.7924 9.3507 126.7444 53.1503 15.8624 176.9560 69 G 3.9279 8.4392 103.3795 47.4445 0.0000 174.1536 70 Q 4.3796 7.7213 117.7594 54.3648 32.3841 173.0179 71 T 4.4147 7.9073 120.1721 62.5711 69.7417 174.1234 72 W 4.9153 8.6951 125.4880 55.0803 32.8681 173.8979 73 Y 5.0545 9.2200 123.0455 56.2833 39.1654 174.8747 74 W 5.5463 8.7795 121.9497 54.7114 31.8319 174.9629 75 K 5.1239 9.4875 120.0682 55.0368 36.1304 175.5373 76 V 5.0197 9.5855 118.3204 59.7924 34.1979 174.8653 77 A 4.9580 9.1159 126.6119 49.3575 21.8226 173.5574 78 P 4.4956 0.0000 0.0000 63.8947 31.6001 175.1168 79 V 4.3316 8.5427 120.1178 60.6984 32.9517 176.2395 80 A 4.3463 7.4063 119.4031 50.8639 20.2445 178.4788 *86 L 4.2591 8.1470 119.8415 55.4125 43.5577 177.9534 87 K 4.4310 8.0327 122.7179 55.0952 33.6984 174.8268 88 A 5.1276 8.2582 125.2670 50.2421 22.6092 174.5836 89 F 5.2541 8.1312 112.6608 55.7542 41.5868 172.9601 90 D 5.2289 9.3686 120.7959 52.7184 43.2347 175.3679 91 V 4.8932 8.5974 124.7677 61.5694 33.0995 174.6946 92 S 5.3905 9.3084 122.8753 56.5562 66.3878 173.1734 93 V 5.2229 8.8224 121.0632 61.3035 34.8922 174.0614 94 A 5.2965 9.5985 127.8987 50.3789 22.3291 177.0078 95 A 3.8430 8.9514 122.2482 54.7035 18.2385 178.4718 96 E 4.3491 7.7811 114.4612 54.8906 30.9017 177.6389 97 K 2.5273 7.8789 118.9133 58.1137 32.1708 177.3242 98 Q 4.4380 6.8220 114.8617 53.9257 32.0139 174.4769 *100 S 4.3021 8.2934 117.3409 57.5050 64.0502 172.3220 101 P 4.7161 0.0000 0.0000 62.7949 31.8633 176.3486 102 I 4.2392 8.3299 112.9616 61.9866 38.7483 175.7272 103 I 4.7520 7.4343 120.7147 59.8018 41.6388 173.6669 104 T 5.1728 8.4752 124.1010 61.9782 72.2184 173.2653 105 V 4.3612 8.9567 126.4849 60.9744 34.5607 174.2731 106 R 4.6998 8.4073 127.7551 54.8549 31.5096 175.4894 107 S 4.3860 7.8382 120.1595 56.8115 67.4597 174.0205 108 Y 4.2225 8.4860 120.0337 58.1621 38.0280 175.6573 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 28 I 8.01 4.27 1.89 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 1.48 1.08 0.92 0.00 0.00 29 N 8.58 4.44 0.00 2.87 2.62 0.00 0.00 5.95 6.83 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 30 T 9.47 4.22 4.56 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 1.24 0.00 0.00 31 V 9.00 3.20 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 0.75 0.00 0.00 1.03 0.00 0.00 32 G 8.40 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.73 4.34 0.00 3.20 3.22 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 0.00 0.00 0.00 34 L 7.20 3.56 0.00 1.39 1.44 0.68 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.06 3.65 0.00 2.15 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 0.00 2.53 2.44 0.00 36 Q 8.28 4.52 0.00 2.30 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.85 2.65 0.00 37 K 7.62 3.95 0.00 1.80 1.87 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 38 M 7.90 3.82 0.00 1.57 1.71 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 39 F 7.84 4.21 0.00 2.87 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.69 3.26 1.30 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 0.00 0.00 41 A 7.60 3.89 1.30 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 0.00 0.00 42 M 7.87 3.92 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.50 0.00 43 V 7.50 3.42 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 1.11 0.00 0.00 0.53 0.00 0.00 44 A 7.95 3.95 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 45 D 8.13 4.24 0.00 2.90 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 46 N 8.02 4.24 0.00 2.77 2.73 0.00 0.00 7.07 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 47 Q 7.85 3.63 0.00 1.75 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 1.99 1.33 0.00 48 M 8.17 4.20 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.63 0.00 49 A 7.72 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.73 4.08 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 51 V 7.78 3.47 1.73 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 0.28 0.00 0.00 0.84 0.00 0.00 52 M 7.49 4.18 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.96 0.00 53 L 7.32 4.29 0.00 1.78 1.70 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.37 4.97 0.00 2.85 2.74 0.00 0.00 7.05 7.63 0.00 0.00 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 P 0.00 4.26 0.00 2.18 2.17 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 56 K 8.06 3.62 0.00 1.75 1.84 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 57 N 8.63 3.94 0.00 2.84 2.81 0.00 0.00 7.07 7.61 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 *59 K 8.44 3.95 0.00 1.73 1.74 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.45 7.81 60 A 8.44 4.82 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 9.07 4.80 0.00 4.05 3.85 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 62 N 8.13 4.63 0.00 2.48 2.45 0.00 0.00 6.83 7.98 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 63 G 6.11 3.49 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 0.00 0.00 0.00 64 E 8.89 5.28 0.00 1.76 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 2.05 2.19 0.00 65 E 9.35 4.73 0.00 2.14 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 0.00 2.27 2.29 0.00 66 E 8.98 4.83 0.00 2.01 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 2.26 2.37 0.00 67 L 9.36 4.47 0.00 1.71 1.50 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 68 A 9.35 3.79 0.19 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 69 G 8.44 3.93 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 0.00 0.00 0.00 70 Q 7.72 4.38 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.89 0.00 0.00 0.00 0.00 0.00 1.28 1.94 0.00 71 T 7.91 4.41 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 0.56 0.00 0.00 72 W 8.70 4.92 0.00 3.43 3.17 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 0.00 73 Y 9.22 5.05 0.00 3.02 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 74 W 8.78 5.55 0.00 3.48 3.23 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 75 K 9.49 5.12 0.00 1.76 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.44 7.81 76 V 9.59 5.02 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 0.97 0.00 0.00 1.15 0.00 0.00 77 A 9.12 4.96 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 78 P 0.00 4.50 0.00 1.99 2.06 0.00 3.67 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 2.06 2.12 0.00 79 V 8.54 4.33 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 0.66 0.00 0.00 0.93 0.00 0.00 80 A 7.41 4.35 1.30 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 0.00 0.00 *86 L 8.15 4.26 0.00 1.74 1.82 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.03 4.43 0.00 1.88 1.86 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.48 7.81 88 A 8.26 5.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.13 5.25 0.00 3.16 3.05 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 0.00 0.00 0.00 90 D 9.37 5.23 0.00 2.57 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 91 V 8.60 4.89 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 1.14 0.00 0.00 1.13 0.00 0.00 92 S 9.31 5.39 0.00 3.96 3.98 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 0.00 0.00 0.00 93 V 8.82 5.22 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 1.22 0.00 0.00 1.11 0.00 0.00 94 A 9.60 5.30 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.95 3.84 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 96 E 7.78 4.35 0.00 1.95 1.75 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 2.31 2.30 0.00 97 K 7.88 2.53 0.00 1.41 1.47 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.92 0.88 7.81 98 Q 6.82 4.44 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.46 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 *100 S 8.29 4.30 0.00 3.94 3.85 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 0.00 101 P 0.00 4.72 0.00 2.25 2.14 0.00 3.79 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 2.03 2.00 0.00 102 I 8.33 4.24 2.00 0.00 0.00 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 1.33 1.12 1.05 0.00 0.00 103 I 7.43 4.75 1.89 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 1.35 1.33 0.94 0.00 0.00 104 T 8.48 5.17 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 1.23 0.00 0.00 105 V 8.96 4.36 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 0.87 0.00 0.00 0.91 0.00 0.00 106 R 8.41 4.70 0.00 1.77 1.65 0.00 3.01 0.00 0.00 3.21 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.10 0.00 107 S 7.84 4.39 0.00 2.72 3.22 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 0.00 0.00 0.00 108 Y 8.49 4.22 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.