NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.4214 8.1927 115.4114 58.1334 63.0494 173.6714 13 L 3.6523 8.0408 129.1006 56.5866 42.3969 175.2569 14 Y 4.4941 6.9734 117.7218 57.3955 38.7804 173.5737 15 P 4.4796 0.0000 0.0000 61.8311 32.1458 174.2462 16 P 4.5873 0.0000 0.0000 61.1786 32.4517 174.2445 17 P 4.3840 0.0000 0.0000 61.5663 32.0397 174.8916 18 P 4.1933 0.0000 0.0000 62.3547 31.8471 175.7973 19 P 4.1334 0.0000 0.0000 66.2368 30.7251 177.9130 20 Y 4.6079 7.1706 115.0486 59.9206 37.7038 178.0691 21 V 3.6848 7.8884 120.5886 65.6196 31.3775 177.7968 22 K 3.8072 7.3857 117.9011 59.6100 32.2336 178.4230 23 F 4.4764 7.5951 116.8451 58.3790 40.1747 175.7977 24 F 4.4144 8.2921 120.5290 56.6418 38.1392 175.8352 25 T 4.4232 7.2643 112.8975 61.1383 72.0555 175.4799 26 Q 4.0776 8.4750 120.2971 58.7267 28.8824 178.4435 27 S 4.0490 8.1016 114.0917 61.7677 62.2089 175.7887 28 N 4.3024 7.8605 117.6420 56.3767 38.4322 177.1707 29 L 4.1132 7.8705 120.1561 57.7605 41.4456 179.3766 30 E 4.0177 7.8341 117.6915 59.1695 29.8503 178.9716 31 K 4.2047 7.9235 116.8990 57.6878 32.1681 179.0520 32 L 3.9535 7.5172 121.7455 57.7232 42.0631 176.7668 33 P 4.2768 0.0000 0.0000 65.7936 31.2415 178.7572 34 K 4.0250 8.0184 116.6038 59.4097 31.9648 178.5794 35 Y 4.0532 7.9868 119.6070 60.7338 38.4985 178.2929 36 K 3.8365 8.3296 118.4196 59.6937 32.4806 178.6736 37 E 3.9834 7.9881 118.2695 59.3440 29.5144 179.0099 38 K 3.7137 8.2304 119.3552 59.6625 31.9264 178.6428 39 K 3.6122 7.7364 118.6733 59.4458 32.2060 178.2988 40 A 4.0388 7.5935 119.1364 54.6351 18.1924 177.8470 41 A 4.0983 7.2732 118.0332 52.6255 18.8055 176.6335 *57 E 3.9695 7.8869 117.2491 56.4964 30.8268 175.7658 58 E 4.6347 8.2906 126.9007 54.7375 29.6771 175.0246 59 I 4.0578 7.3802 120.3631 60.7319 38.6047 176.5430 60 T 4.5108 8.7513 114.0684 61.7372 70.5608 173.1116 61 C 4.6760 7.6934 114.7261 55.3140 33.0500 174.3736 62 A 3.6822 8.5510 120.8472 55.3166 17.7849 179.7519 63 L 3.7551 7.5135 116.6401 57.5982 41.1255 179.1372 64 D 4.3780 7.5870 118.8112 57.0865 40.4028 177.8324 65 Y 4.1582 7.5184 115.9059 59.4777 37.9836 176.0304 66 L 4.2526 7.3464 118.8300 54.3394 41.7235 176.1964 67 I 4.5388 7.1252 118.8983 58.4706 39.6570 173.8089 68 P 4.3146 0.0000 0.0000 61.9728 31.7629 174.5772 69 P 4.4950 0.0000 0.0000 62.2116 33.1817 176.3228 70 P 4.6965 0.0000 0.0000 61.8867 30.0450 178.2210 *72 P 4.2178 0.0000 0.0000 63.0389 32.3022 176.5444 73 K 4.0473 8.7039 119.8867 59.3816 32.4679 177.4961 74 N 4.3031 8.2030 118.4420 53.2660 37.1131 174.8812 75 Q 4.1797 8.7467 122.3766 56.7452 28.7080 176.9931 76 Q 4.2175 7.9627 113.9291 57.6537 28.8257 176.2471 77 Y 4.2975 7.7663 115.4139 58.6778 38.5388 175.4855 78 R 4.0310 7.8538 121.5507 55.4196 30.6863 175.9313 79 A 4.0445 8.4624 128.7805 52.0489 18.8727 177.5588 80 F 4.3247 8.7952 118.3458 59.1023 38.4747 175.1705 81 G 3.7159 5.6486 106.2788 45.7297 0.0000 171.7968 82 S 4.2820 8.3190 114.4376 56.6160 64.8036 174.6487 83 I 4.4097 7.4429 123.8073 59.0230 37.9213 175.6630 84 W 4.4898 8.6787 120.7774 56.2567 28.2332 176.6553 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 12 S 8.19 4.42 0.00 4.08 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 13 L 8.04 3.65 0.00 1.60 1.53 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 6.97 4.49 0.00 3.23 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 P 0.00 4.48 0.00 2.20 2.09 0.00 3.97 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 16 P 0.00 4.59 0.00 2.17 2.08 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 17 P 0.00 4.38 0.00 2.01 1.98 0.00 3.67 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 1.98 2.06 0.00 18 P 0.00 4.19 0.00 2.26 1.95 0.00 3.60 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 2.19 2.13 0.00 19 P 0.00 4.13 0.00 2.03 2.14 0.00 3.24 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.72 0.00 20 Y 7.17 4.61 0.00 3.32 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 21 V 7.89 3.68 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 1.07 0.00 0.00 0.97 0.00 0.00 22 K 7.39 3.81 0.00 1.63 1.67 0.00 1.32 0.00 0.00 1.28 0.00 0.00 2.49 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.49 0.28 7.81 23 F 7.60 4.48 0.00 3.10 2.98 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 24 F 8.29 4.41 0.00 3.18 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.26 4.42 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 1.27 0.00 0.00 26 Q 8.47 4.08 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 27 S 8.10 4.05 0.00 3.88 3.86 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 28 N 7.86 4.30 0.00 2.83 2.76 0.00 0.00 7.20 7.40 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 29 L 7.87 4.11 0.00 1.91 1.73 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.83 4.02 0.00 2.17 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 2.35 2.58 0.00 31 K 7.92 4.20 0.00 1.79 1.83 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.66 7.81 32 L 7.52 3.95 0.00 1.84 1.79 0.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.28 0.00 2.21 2.11 0.00 3.89 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 34 K 8.02 4.03 0.00 1.83 1.89 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.51 7.81 35 Y 7.99 4.05 0.00 3.16 3.11 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 36 K 8.33 3.84 0.00 1.90 1.85 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.56 7.81 37 E 7.99 3.98 0.00 2.16 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 2.31 2.60 0.00 38 K 8.23 3.71 0.00 1.75 1.91 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 1.37 7.81 39 K 7.74 3.61 0.00 1.39 1.78 0.00 1.71 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.25 7.81 40 A 7.59 4.04 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 41 A 7.27 4.10 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 *57 E 7.89 3.97 0.00 1.93 1.90 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 2.15 2.23 0.00 58 E 8.29 4.63 0.00 1.86 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 0.00 2.13 2.27 0.00 59 I 7.38 4.06 1.72 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 0.43 0.00 0.00 60 T 8.75 4.51 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 1.20 0.00 0.00 61 C 7.69 4.68 0.00 2.99 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 62 A 8.55 3.68 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.51 3.76 0.00 0.82 0.84 0.73 0.71 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 64 D 7.59 4.38 0.00 2.46 2.43 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 0.00 65 Y 7.52 4.16 0.00 2.80 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 66 L 7.35 4.25 0.00 1.55 1.46 0.60 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.13 4.54 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.62 0.89 0.00 0.00 68 P 0.00 4.31 0.00 2.02 2.00 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 69 P 0.00 4.50 0.00 2.08 1.94 0.00 3.72 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 1.91 1.90 0.00 70 P 0.00 4.70 0.00 2.01 1.13 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 *72 P 0.00 4.22 0.00 2.11 2.02 0.00 3.48 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 0.99 1.77 0.00 73 K 8.70 4.05 0.00 1.78 1.88 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.38 7.81 74 N 8.20 4.30 0.00 2.89 3.04 0.00 0.00 5.83 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 75 Q 8.75 4.18 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.02 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 76 Q 7.96 4.22 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.04 0.00 77 Y 7.77 4.30 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 78 R 7.85 4.03 0.00 1.82 1.98 0.00 3.28 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 79 A 8.46 4.04 1.06 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 0.00 0.00 0.00 80 F 8.80 4.32 0.00 3.14 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 81 G 5.65 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.32 4.28 0.00 3.35 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 83 I 7.44 4.41 1.80 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.54 0.96 0.00 0.00 84 W 8.68 4.49 0.00 3.30 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 * Residues marked with a * may have inaccurate shift predictions.