NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.2776 8.2644 123.5823 51.0003 20.6906 176.4333 10 L 3.8557 7.7409 119.2876 55.2612 43.4165 174.3746 11 Q 4.6329 9.6882 126.8665 55.0526 32.5922 172.9438 12 C 5.0990 9.1072 124.4706 55.1505 43.7872 172.4929 13 F 5.0301 8.8190 122.2993 57.6431 39.9970 175.3612 14 C 5.5637 8.3018 125.2888 54.6487 44.5282 173.2539 15 H 4.3069 9.0495 120.6070 57.4683 29.2457 177.1651 16 L 3.9778 7.7447 118.2128 56.8752 42.3120 178.3237 17 C 4.5722 7.6491 119.1097 55.2176 35.2501 173.3595 18 T 3.1206 7.1358 111.1286 64.8871 68.7843 176.2607 19 K 4.3860 7.8156 120.9893 55.9951 32.5938 176.8408 20 D 4.7498 7.8590 117.0720 54.2288 41.7497 177.5900 21 N 4.2612 8.6663 114.2024 52.9656 37.1759 174.9771 22 F 4.6468 7.9954 115.0527 58.0239 36.3564 174.1081 23 T 5.1977 7.9199 109.1792 60.3512 72.1058 170.4510 24 C 4.9732 8.9071 115.6739 54.1209 45.6460 173.0633 25 V 4.7019 8.3435 114.4057 60.3389 32.4590 175.0983 26 T 4.7666 8.3293 119.7574 60.2628 70.3449 173.2764 27 D 4.8686 8.8282 122.0374 52.9155 41.6714 176.3906 28 G 3.7804 8.2115 106.5618 46.4075 0.0000 175.1429 29 L 4.9699 5.6200 121.2985 53.5060 48.0612 175.3198 30 C 5.0735 8.8901 117.2088 55.9916 42.4573 173.0594 31 F 5.0661 8.8302 122.8809 56.6231 42.8976 173.9451 32 V 4.7680 7.0733 118.1546 59.5257 35.9993 174.4047 33 S 4.9167 8.6110 119.3130 56.4257 66.3840 172.8664 34 V 4.7318 8.3298 123.9310 61.2383 33.6151 174.0410 35 T 5.0378 8.5799 122.1787 60.1000 70.4828 172.2493 36 E 4.0727 8.5290 129.8320 57.6692 30.1459 173.8808 37 T 4.0623 8.5959 116.6756 61.5378 68.8647 174.0692 38 T 4.0957 8.5802 112.1809 61.5733 70.1678 171.7697 *41 V 3.6150 7.8402 118.9858 62.7226 31.4611 174.8471 42 I 4.4522 7.9688 130.0120 59.7068 38.7760 174.4669 43 H 5.9935 8.8632 122.5931 52.7887 30.6941 172.7329 44 N 4.9924 8.8416 120.8878 50.9535 40.5079 173.7779 45 S 5.3921 8.3157 113.9328 57.2395 67.0662 172.3950 46 M 5.1929 9.0178 117.9665 54.9726 35.1969 172.1509 47 C 5.3833 8.7220 116.1273 55.0043 37.2749 173.8335 48 I 4.5159 8.2343 116.2435 58.6348 39.5525 175.2478 49 A 4.2954 8.5776 130.1255 51.6957 19.1045 177.6067 50 E 3.9130 9.5262 122.2637 59.0515 29.8599 179.4861 51 I 3.7040 7.7642 111.0170 63.0509 37.6820 176.1600 52 D 4.6957 7.9556 119.4231 53.8529 40.9022 175.8352 53 L 4.2983 7.8566 121.0841 53.8357 42.2633 176.7751 54 I 4.5508 7.8782 124.9243 59.0833 40.9127 173.4999 55 P 4.7866 0.0000 0.0000 61.5425 32.7382 177.6516 56 R 3.8508 8.7362 121.9159 59.7971 30.1260 177.6534 57 D 4.5324 8.0587 115.7797 57.6259 41.0780 177.3384 58 R 4.6865 7.4618 115.8547 54.4644 32.1705 171.2624 59 P 4.4942 0.0000 0.0000 62.1587 32.1813 178.6055 60 F 4.3560 8.5975 117.5415 59.3689 38.1242 177.7394 61 V 3.3564 6.7311 120.2451 65.1679 31.3231 176.8916 62 C 4.7724 7.8135 114.4787 56.8762 40.7606 174.2554 63 A 4.5541 7.3001 124.2553 48.7639 17.4453 174.5368 64 P 4.4155 0.0000 0.0000 63.0862 31.9885 177.3483 65 S 4.7836 8.1613 114.0872 56.8172 65.5027 173.6282 66 S 4.2210 8.2579 116.0053 59.1832 63.4279 174.6969 *71 V 3.9988 7.8312 120.5037 63.2983 31.1048 173.3770 72 T 5.1141 7.8048 116.9507 60.4107 71.7297 173.9799 73 T 4.7104 8.7211 115.0077 60.5649 70.0719 172.6317 74 T 5.3367 8.3110 118.8486 60.3953 71.5114 173.4323 75 Y 4.8081 7.4700 117.7777 56.6318 40.7873 173.7132 76 C 5.3279 9.1596 118.3386 55.0934 44.3748 171.9344 77 C 5.1545 8.3345 114.1567 53.9011 44.8862 173.7975 78 N 5.1069 8.7366 117.4325 52.7530 37.6030 174.1653 79 Q 4.7001 7.7481 116.7367 54.3668 31.7465 174.7481 80 D 4.5556 8.9371 120.3130 57.0266 41.4721 176.8007 81 H 4.1174 8.6843 120.8640 57.0726 26.8818 172.8510 82 C 4.6264 7.8331 111.0066 55.7962 42.7959 174.5148 83 N 4.3486 7.8495 119.3425 53.7396 36.5321 174.8791 84 K 4.0486 7.7986 122.3379 56.8505 33.2750 174.1146 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 9 A 8.26 4.28 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 3.86 0.00 1.86 1.77 1.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 9.69 4.63 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.38 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 12 C 9.11 5.10 0.00 2.90 3.21 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 13 F 8.82 5.03 0.00 3.10 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 14 C 8.30 5.56 0.00 2.95 2.79 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 15 H 9.05 4.31 0.00 3.28 3.51 0.00 5.53 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.74 3.98 0.00 1.64 1.74 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 C 7.65 4.57 0.00 3.11 2.99 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 18 T 7.14 3.12 4.06 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 0.00 0.00 1.26 0.00 0.00 19 K 7.82 4.39 0.00 1.65 1.78 0.00 1.43 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.43 7.81 20 D 7.86 4.75 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.67 4.26 0.00 2.89 2.99 0.00 0.00 7.22 7.45 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 22 F 8.00 4.65 0.00 3.22 2.64 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 23 T 7.92 5.20 4.42 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 1.38 0.00 0.00 24 C 8.91 4.97 0.00 2.96 3.13 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 25 V 8.34 4.70 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 0.69 0.00 0.00 0.92 0.00 0.00 26 T 8.33 4.77 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 1.31 0.00 0.00 27 D 8.83 4.87 0.00 2.80 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 28 G 8.21 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 0.00 0.00 0.00 29 L 5.62 4.97 0.00 1.59 1.53 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.89 5.07 0.00 2.93 3.13 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 31 F 8.83 5.07 0.00 3.04 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.07 4.77 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 0.50 0.00 0.00 0.28 0.00 0.00 33 S 8.61 4.92 0.00 3.92 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.33 4.73 2.10 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 0.93 0.00 0.00 0.98 0.00 0.00 35 T 8.58 5.04 4.27 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 1.32 0.00 0.00 36 E 8.53 4.07 0.00 1.95 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 2.31 2.30 0.00 37 T 8.60 4.06 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 38 T 8.58 4.10 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 *41 V 7.84 3.61 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 0.63 0.00 0.00 0.88 0.00 0.00 42 I 7.97 4.45 1.88 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 1.29 0.81 0.94 0.00 0.00 43 H 8.86 5.99 0.00 3.08 3.23 0.00 5.30 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.84 4.99 0.00 2.42 2.95 0.00 0.00 5.72 7.33 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 45 S 8.32 5.39 0.00 4.15 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 46 M 9.02 5.19 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.77 0.00 47 C 8.72 5.38 0.00 2.84 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 48 I 8.23 4.52 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.73 0.00 0.00 49 A 8.58 4.30 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 50 E 9.53 3.91 0.00 2.12 2.04 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 2.30 2.24 0.00 51 I 7.76 3.70 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.70 0.90 0.00 0.00 52 D 7.96 4.70 0.00 2.73 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 53 L 7.86 4.30 0.00 1.57 1.58 0.90 0.73 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 54 I 7.88 4.55 2.08 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 1.39 1.63 1.01 0.00 0.00 55 P 0.00 4.79 0.00 2.10 1.99 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 56 R 8.74 3.85 0.00 1.75 1.97 0.00 3.29 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 57 D 8.06 4.53 0.00 2.72 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 58 R 7.46 4.69 0.00 1.75 1.82 0.00 3.30 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 59 P 0.00 4.49 0.00 2.10 2.08 0.00 3.76 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 60 F 8.60 4.36 0.00 3.27 3.38 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 61 V 6.73 3.36 1.71 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 0.39 0.00 0.00 -0.03 0.00 0.00 62 C 7.81 4.77 0.00 3.06 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 63 A 7.30 4.55 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 64 P 0.00 4.42 0.00 2.26 2.20 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.26 0.00 65 S 8.16 4.78 0.00 4.03 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 66 S 8.26 4.22 0.00 3.90 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 *71 V 7.83 4.00 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 0.94 0.00 0.00 0.94 0.00 0.00 72 T 7.80 5.11 4.28 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 1.23 0.00 0.00 73 T 8.72 4.71 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 1.22 0.00 0.00 74 T 8.31 5.34 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 1.35 0.00 0.00 75 Y 7.47 4.81 0.00 3.02 2.97 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 0.00 0.00 0.00 76 C 9.16 5.33 0.00 2.90 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 77 C 8.33 5.15 0.00 3.01 3.32 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 0.00 0.00 0.00 78 N 8.74 5.11 0.00 2.83 2.92 0.00 0.00 5.89 7.39 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 79 Q 7.75 4.70 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 80 D 8.94 4.56 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 81 H 8.68 4.12 0.00 3.20 3.37 0.00 5.84 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 82 C 7.83 4.63 0.00 3.08 3.27 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 83 N 7.85 4.35 0.00 2.81 2.84 0.00 0.00 7.10 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 84 K 7.80 4.05 0.00 1.74 1.51 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.21 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.