NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3180 8.2644 123.5823 51.1530 19.3585 177.6227 3 K 4.0546 8.2103 121.6870 57.5193 35.0943 170.7510 4 E 4.4345 7.9960 118.0721 53.7721 31.7414 171.7827 5 P 4.6536 0.0000 0.0000 61.9411 33.0875 177.5079 6 C 4.4824 8.2737 121.2639 59.0241 28.6125 174.3684 7 V 3.7719 7.7080 123.4295 63.0674 31.7457 177.7502 8 E 4.0180 8.2848 119.8838 59.4283 28.9521 179.1458 9 S 4.1362 7.4247 113.3158 61.5242 62.9468 176.3260 10 L 4.1926 7.9890 122.7262 57.1180 40.8612 179.6208 11 V 3.8597 7.7782 118.3316 66.0110 31.6895 178.0573 12 S 3.7885 7.9282 113.2289 60.8559 62.6270 176.5013 13 Q 3.9823 7.3745 121.0097 59.2328 28.9786 178.0689 14 Y 4.3323 7.9396 117.8025 59.6637 38.0396 177.5354 15 F 4.1827 7.1717 122.7580 61.1428 39.3348 177.1686 16 Q 3.9633 8.0538 117.2862 58.9687 28.4197 178.7248 17 T 3.9354 7.4750 115.7682 66.4659 68.4263 176.8850 18 V 3.6802 7.4244 120.4654 66.0474 31.3373 178.2736 19 T 3.7431 7.4572 115.1797 66.7550 68.2281 176.2234 20 D 4.4779 7.9627 120.4430 57.2120 40.4142 178.1870 21 Y 4.8264 7.5264 121.9229 60.1642 38.7582 178.2733 22 G 3.3431 8.1159 106.7648 47.5432 0.0000 175.9263 23 K 4.0014 7.5935 119.3541 59.0634 32.0560 179.0264 24 D 4.2911 7.6473 119.4498 57.5531 40.7149 178.7496 25 L 3.9625 7.1822 120.1082 57.7711 41.8873 178.4870 26 M 3.9699 7.8618 118.5269 58.7530 32.0386 178.1384 27 E 4.0156 8.2478 118.4181 59.0684 29.1244 179.4186 28 K 3.9948 7.7188 118.8998 58.9508 31.8576 179.1140 29 V 3.4630 7.2660 117.3489 64.8917 31.5737 177.8047 30 K 4.1346 7.4556 117.3622 58.9380 31.8520 178.7197 31 S 4.2476 7.3492 115.1738 60.7786 63.0523 173.2442 32 P 4.5348 0.0000 0.0000 63.0682 31.9424 174.3866 33 E 4.8279 9.0447 120.1077 57.1966 37.1542 175.6796 34 L 4.7656 7.5069 115.5682 54.2014 40.2747 177.5212 35 Q 4.3256 7.5532 122.4170 54.9418 27.8881 175.7414 *39 K 4.4013 7.7579 120.0088 56.2337 34.2709 177.9603 40 S 4.2073 7.6442 110.9680 59.0402 62.8421 175.1043 41 Y 3.9815 7.3449 121.4692 61.0817 38.4459 176.7101 42 F 4.6721 7.6594 111.8610 56.9878 38.7770 177.0653 43 E 3.7820 7.2889 121.6576 59.2029 29.4770 179.2032 44 K 3.9211 7.9319 120.1299 59.1932 32.5452 176.9932 45 S 4.5733 7.3073 114.7571 57.8373 60.5195 173.6926 *47 E 4.2122 7.9848 126.8521 56.8382 31.5110 176.4927 48 Q 4.1300 7.6222 117.3724 58.0014 29.4411 176.5712 49 L 4.1851 7.8700 119.7821 57.6423 42.8593 178.6693 50 T 3.9001 8.0212 109.4921 64.3778 68.5586 174.5459 51 P 4.3702 0.0000 0.0000 64.5771 31.0712 178.4944 52 L 4.0238 7.4359 117.8297 57.6365 41.5725 178.9160 53 I 4.0291 7.6048 118.4309 63.6571 37.6769 177.3877 54 K 4.3344 7.9382 117.2424 56.5642 31.9645 178.4215 55 K 4.1387 7.7455 121.4884 58.2804 31.8899 177.7151 56 A 4.7512 7.3626 121.2218 53.5251 18.0707 179.0958 57 G 3.5801 7.8083 104.2517 46.7049 0.0000 174.4598 58 T 4.2629 7.6868 113.7926 62.8447 69.6188 173.5575 59 E 4.1875 8.3210 121.9562 56.3749 30.7708 175.5961 60 L 4.1486 9.1021 131.0566 56.3612 41.6446 176.8413 61 V 3.5904 6.9420 118.2569 64.9967 30.8951 177.5349 62 N 4.4714 7.4633 116.5884 55.2317 38.3502 177.4334 63 F 4.4708 7.6547 119.3486 60.1437 39.1457 177.4576 64 L 3.9324 8.3815 119.5175 58.3507 40.1319 179.2021 65 S 4.2302 7.8109 114.1514 61.3359 62.2303 175.3602 66 Y 4.6903 8.1443 124.0002 60.1297 38.3253 177.6284 67 F 4.0426 8.4833 117.7939 60.0354 39.2924 177.5712 68 V 3.8085 7.8155 117.9056 65.7934 30.2813 177.8177 69 E 3.9467 7.9242 118.5214 58.4663 29.9123 177.9875 70 L 4.6740 7.4842 118.9952 53.0645 40.6810 176.0932 71 G 4.2851 7.2520 110.5098 47.2842 0.0000 174.9352 72 T 4.0768 8.0837 118.2631 66.0754 68.9147 177.3895 73 Q 4.0279 7.4817 119.3627 58.5968 28.7773 176.4511 74 P 4.2499 0.0000 0.0000 65.0569 31.6504 176.1997 75 A 4.1873 7.4830 123.8950 52.2885 18.4268 176.8591 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 2 A 8.26 4.32 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.21 4.05 0.00 1.73 1.77 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.18 1.55 7.81 4 E 8.00 4.43 0.00 1.89 1.79 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 2.18 2.22 0.00 5 P 0.00 4.65 0.00 2.22 2.03 0.00 3.82 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 1.96 1.94 0.00 6 C 8.27 4.48 0.00 3.01 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 7 V 7.71 3.77 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 0.79 0.00 0.00 0.96 0.00 0.00 8 E 8.28 4.02 0.00 2.02 2.03 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 2.39 2.37 0.00 9 S 7.42 4.14 0.00 4.16 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 10 L 7.99 4.19 0.00 1.93 1.84 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.78 3.86 2.20 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 1.03 0.00 0.00 1.06 0.00 0.00 12 S 7.93 3.79 0.00 4.08 4.04 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 13 Q 7.37 3.98 0.00 2.36 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.05 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 14 Y 7.94 4.33 0.00 3.17 3.24 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 15 F 7.17 4.18 0.00 2.57 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 16 Q 8.05 3.96 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 17 T 7.48 3.94 4.43 0.00 0.00 0.00 0.00 0.00 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 18 V 7.42 3.68 1.86 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 0.98 0.00 0.00 0.97 0.00 0.00 19 T 7.46 3.74 4.31 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 1.15 0.00 0.00 20 D 7.96 4.48 0.00 2.81 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 21 Y 7.53 4.83 0.00 3.04 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 3.34 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 0.00 23 K 7.59 4.00 0.00 1.99 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.68 7.81 24 D 7.65 4.29 0.00 2.62 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 7.18 3.96 0.00 1.29 1.45 0.82 0.79 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 26 M 7.86 3.97 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 27 E 8.25 4.02 0.00 2.03 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 2.30 2.51 0.00 28 K 7.72 3.99 0.00 1.89 1.83 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.64 7.81 29 V 7.27 3.46 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 0.81 0.00 0.00 0.96 0.00 0.00 30 K 7.46 4.13 0.00 1.88 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.69 7.81 31 S 7.35 4.25 0.00 3.80 3.90 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 P 0.00 4.53 0.00 2.19 2.04 0.00 3.84 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.93 0.00 33 E 9.04 4.83 0.00 1.90 1.91 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 2.21 2.23 0.00 34 L 7.51 4.77 0.00 1.70 1.59 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.55 4.33 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.06 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 *39 K 7.76 4.40 0.00 1.80 1.88 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.58 1.49 7.81 40 S 7.64 4.21 0.00 3.76 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 41 Y 7.34 3.98 0.00 3.02 3.02 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 0.00 0.00 0.00 42 F 7.66 4.67 0.00 3.30 3.40 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 43 E 7.29 3.78 0.00 2.06 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 2.07 1.82 0.00 44 K 7.93 3.92 0.00 1.67 1.63 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.36 7.81 45 S 7.31 4.57 0.00 4.11 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 *47 E 7.98 4.21 0.00 1.98 2.21 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 2.18 2.30 0.00 48 Q 7.62 4.13 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 49 L 7.87 4.19 0.00 1.76 1.64 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.02 3.90 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 51 P 0.00 4.37 0.00 2.17 2.14 0.00 3.75 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 2.10 2.17 0.00 52 L 7.44 4.02 0.00 1.73 1.73 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.60 4.03 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 1.64 0.47 0.91 0.00 0.00 54 K 7.94 4.33 0.00 1.81 1.81 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.57 7.81 55 K 7.75 4.14 0.00 2.05 1.87 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 56 A 7.36 4.75 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 57 G 7.81 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 58 T 7.69 4.26 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 1.21 0.00 0.00 59 E 8.32 4.19 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 60 L 9.10 4.15 0.00 2.02 1.80 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 61 V 6.94 3.59 2.16 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 0.79 0.00 0.00 0.91 0.00 0.00 62 N 7.46 4.47 0.00 2.52 2.66 0.00 0.00 7.01 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 7.65 4.47 0.00 3.28 3.07 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 0.00 0.00 0.00 0.00 64 L 8.38 3.93 0.00 1.82 1.79 0.98 0.78 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 7.81 4.23 0.00 3.82 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.69 0.00 3.14 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 67 F 8.48 4.04 0.00 3.17 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 68 V 7.82 3.81 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 1.10 0.00 0.00 1.03 0.00 0.00 69 E 7.92 3.95 0.00 2.01 1.88 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 2.34 2.62 0.00 70 L 7.48 4.67 0.00 1.26 1.38 0.12 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.25 4.29 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 0.00 72 T 8.08 4.08 4.34 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 1.21 0.00 0.00 73 Q 7.48 4.03 0.00 2.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 74 P 0.00 4.25 0.00 2.00 2.08 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 75 A 7.48 4.19 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 * Residues marked with a * may have inaccurate shift predictions.