NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2290 8.2644 123.5823 51.6508 19.8888 176.1841 2 M 3.8778 8.5062 119.9564 54.1317 31.7697 173.4239 3 D 4.4785 7.9823 127.0334 54.9321 41.8746 177.0657 *5 S 4.2182 7.6881 116.3513 55.6585 65.2322 174.1056 6 A 3.7413 7.9212 122.3645 52.9507 16.0026 176.5285 7 K 4.9757 7.7652 116.6383 57.2360 33.5164 176.0815 8 A 4.8062 8.6622 123.5133 49.6655 23.5578 173.6570 9 P 4.6290 0.0000 0.0000 62.6032 32.1859 176.1896 10 V 4.0452 8.9823 126.9349 61.9203 32.6066 174.5382 11 I 4.9027 8.3191 128.9366 59.9973 39.1261 175.2265 12 T 4.3536 8.9173 123.3815 61.7524 71.5422 173.1526 13 I 4.2959 8.2060 127.9134 60.2747 38.0374 175.8893 14 F 4.3782 9.1793 128.6821 56.1441 38.7973 173.6144 15 D 4.8716 8.4433 122.1370 52.4160 41.2581 175.5747 16 H 5.1071 8.5590 127.6873 54.3845 29.7465 175.0151 17 R 4.1727 7.7409 118.3374 58.3246 30.3289 177.7755 18 G 3.9274 9.7367 111.1959 45.3462 0.0000 172.9196 19 C 4.3284 7.6984 120.6358 58.7576 32.0306 173.8749 20 S 4.2297 8.5582 121.0763 60.1797 63.2349 174.1744 21 R 4.0208 7.8448 121.9286 55.4631 30.1014 175.5958 22 A 4.2141 8.4064 128.7977 50.9891 19.2071 175.1319 23 P 4.3995 0.0000 0.0000 63.2455 31.9192 176.1855 24 K 4.6789 8.0270 115.5498 57.8172 37.9275 177.4404 25 E 4.0096 8.2333 118.8438 59.1136 29.3439 176.6468 26 Y 4.3121 7.9566 121.0336 57.5272 39.1850 175.2218 27 T 4.2890 7.8845 115.7442 61.0827 69.5125 174.8175 28 G 3.5602 5.5979 110.3187 44.1359 0.0000 173.4160 29 A 4.1738 8.2907 121.5497 51.9878 18.9878 177.6881 30 K 4.5850 8.3521 119.5001 55.7310 33.3427 177.2404 31 A 4.2117 9.5295 124.8112 52.5496 19.1984 177.8659 32 G 3.8081 9.4109 103.8933 46.4987 0.0000 173.5544 33 G 4.0278 7.4513 107.5426 45.5088 0.0000 174.7071 34 K 3.9953 8.3514 117.6886 59.2171 32.3659 178.7731 35 D 4.3479 8.1045 118.3402 56.8615 40.8049 177.4024 36 D 4.6136 8.2337 117.5668 55.5943 41.2870 176.4466 37 E 4.7456 8.4272 118.7795 56.1679 30.8769 175.2006 38 M 5.3501 7.7800 118.5103 54.2482 36.3100 174.3250 39 M 4.6222 9.1637 119.6273 54.5785 36.5097 173.2829 40 V 4.5510 8.3242 124.7703 61.2832 33.1927 174.5549 41 K 4.8271 9.2230 129.4403 54.7570 34.5279 174.6619 42 A 5.3177 8.4351 126.8565 50.6371 22.7264 175.0106 43 Q 4.5130 8.6178 120.1037 54.7280 33.2623 173.5056 44 S 4.7944 8.7514 121.6133 58.2799 63.1695 173.2157 45 V 4.4856 8.5348 127.1927 60.5655 34.9254 174.3650 46 K 4.5482 8.7328 129.1714 56.6206 32.6616 176.0087 47 I 4.1865 8.6939 129.9746 60.8821 37.7134 175.5703 48 E 4.7329 8.7715 125.6764 54.3523 32.9965 175.2591 49 V 4.4030 8.1528 121.2187 60.5773 34.5536 175.9848 50 S 4.5898 8.3638 121.7448 57.6078 65.6535 175.2827 51 T 3.9642 8.4444 113.3788 65.0280 68.2577 176.6640 52 G 3.5847 8.0099 107.9431 47.8144 0.0000 175.5687 53 T 3.8479 8.0802 118.2490 66.3092 68.4992 176.5457 54 A 4.0020 8.1056 122.5643 55.2680 18.3661 179.5555 55 E 4.0432 8.7436 117.6985 59.4328 29.4826 179.8537 56 G 3.5795 8.2642 106.0335 47.7873 0.0000 176.0238 57 V 3.6168 8.0039 120.7761 65.3783 31.4491 177.8441 58 L 3.9019 8.0827 120.0052 58.1497 41.9472 178.8393 59 A 3.9737 8.1352 120.6489 55.4283 18.3123 179.6485 60 T 3.7888 8.0353 114.1962 67.0084 68.5373 177.0052 61 S 4.1405 8.3342 117.1925 61.6289 62.6234 176.8070 62 L 3.9738 7.9679 120.5328 57.7703 41.4307 179.1830 63 A 4.1423 7.9000 119.7375 54.4486 18.4033 179.1060 64 K 4.2351 7.8968 116.1161 57.3229 32.8135 177.4201 65 M 4.4029 7.4725 116.1298 55.2550 31.9971 175.0785 66 T 4.4800 8.2241 107.2789 62.3108 70.6555 174.0116 67 K 4.1132 7.7496 125.3722 56.3438 32.3292 175.4334 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 1 A 8.26 4.23 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 2 M 8.51 3.88 0.00 2.07 2.01 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 2.58 2.53 0.00 3 D 7.98 4.48 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.69 4.22 0.00 4.03 4.10 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 0.00 0.00 0.00 0.00 6 A 7.92 3.74 1.38 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 0.00 0.00 7 K 7.77 4.98 0.00 1.68 1.74 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.55 7.81 8 A 8.66 4.81 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 9 P 0.00 4.63 0.00 2.09 2.10 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 10 V 8.98 4.05 2.17 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 0.93 0.00 0.00 0.93 0.00 0.00 11 I 8.32 4.90 1.85 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 1.34 0.73 0.89 0.00 0.00 12 T 8.92 4.35 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 0.41 0.00 0.00 13 I 8.21 4.30 1.78 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.75 0.88 0.00 0.00 14 F 9.18 4.38 0.00 2.93 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 15 D 8.44 4.87 0.00 2.68 2.63 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 0.00 0.00 0.00 0.00 16 H 8.56 5.11 0.00 3.26 3.26 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.74 4.17 0.00 1.77 1.91 0.00 3.19 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 18 G 9.74 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 19 C 7.70 4.33 0.00 3.07 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 20 S 8.56 4.23 0.00 4.02 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 21 R 7.84 4.02 0.00 1.80 1.90 0.00 3.40 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 22 A 8.41 4.21 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 23 P 0.00 4.40 0.00 2.08 2.02 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 24 K 8.03 4.68 0.00 1.85 1.84 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.38 7.81 25 E 8.23 4.01 0.00 1.89 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 0.00 2.24 2.31 0.00 26 Y 7.96 4.31 0.00 2.98 2.83 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 0.00 0.00 0.00 27 T 7.88 4.29 4.09 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 0.00 0.00 0.00 1.12 0.00 0.00 28 G 5.60 3.56 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 0.00 0.00 0.00 29 A 8.29 4.17 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 30 K 8.35 4.58 0.00 1.79 1.94 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.46 7.81 31 A 9.53 4.21 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 32 G 9.41 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.45 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 4.00 0.00 1.83 1.88 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.47 7.81 35 D 8.10 4.35 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.23 4.61 0.00 2.78 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 37 E 8.43 4.75 0.00 2.01 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 0.00 2.24 2.26 0.00 38 M 7.78 5.35 0.00 1.80 1.88 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 39 M 9.16 4.62 0.00 2.00 1.75 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 2.36 2.46 0.00 40 V 8.32 4.55 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 0.83 0.00 0.00 0.92 0.00 0.00 41 K 9.22 4.83 0.00 2.08 2.00 0.00 1.84 0.00 0.00 1.90 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 42 A 8.44 5.32 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 43 Q 8.62 4.51 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 44 S 8.75 4.79 0.00 3.93 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 45 V 8.53 4.49 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 0.89 0.00 0.00 1.00 0.00 0.00 46 K 8.73 4.55 0.00 1.81 1.72 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.63 7.81 47 I 8.69 4.19 1.87 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 1.37 0.93 0.91 0.00 0.00 48 E 8.77 4.73 0.00 1.90 1.80 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 2.19 2.42 0.00 49 V 8.15 4.40 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 0.86 0.00 0.00 0.93 0.00 0.00 50 S 8.36 4.59 0.00 4.09 3.97 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 51 T 8.44 3.96 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 52 G 8.01 3.58 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 0.00 0.00 0.00 53 T 8.08 3.85 4.40 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 1.21 0.00 0.00 54 A 8.11 4.00 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 55 E 8.74 4.04 0.00 2.13 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 2.33 2.48 0.00 56 G 8.26 3.58 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 0.00 0.00 0.00 57 V 8.00 3.62 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 1.07 0.00 0.00 0.96 0.00 0.00 58 L 8.08 3.90 0.00 1.88 1.90 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.14 3.97 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 60 T 8.04 3.79 4.40 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 1.21 0.00 0.00 61 S 8.33 4.14 0.00 3.98 3.91 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 62 L 7.97 3.97 0.00 1.61 1.73 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.90 4.14 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 64 K 7.90 4.24 0.00 1.80 1.87 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.63 7.81 65 M 7.47 4.40 0.00 2.21 2.07 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 2.59 2.66 0.00 66 T 8.22 4.48 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 67 K 7.75 4.11 0.00 1.83 1.75 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.