NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 A 4.2642 8.2644 123.5813 51.8695 20.7045 177.0701 14 R 4.0413 7.8636 115.7751 54.2066 30.8226 173.0898 15 P 4.1201 0.0000 0.0000 62.7566 32.9405 174.4655 16 L 4.5542 8.1567 123.3300 52.4502 43.3380 174.4747 17 P 4.3597 0.0000 0.0000 63.1287 31.7634 176.1060 18 Q 4.5680 8.6597 119.7927 55.5542 29.6808 175.3926 19 D 5.0559 7.6371 118.9214 51.2569 42.9266 176.4875 20 F 4.0787 9.0571 126.3340 62.4448 39.2596 177.9772 21 E 3.9623 8.2534 117.0766 61.6140 29.7332 180.9400 22 T 4.0693 8.6656 116.9239 66.1930 68.4106 176.8559 23 A 3.8756 8.0015 122.7651 54.8593 18.4300 179.3510 24 L 3.5515 7.9225 118.9071 58.1273 42.2247 178.9906 25 A 3.9150 8.1388 121.0082 55.2518 18.3213 179.2492 26 E 3.8570 8.2394 117.8179 59.1220 29.5824 178.7343 27 L 3.9433 8.2196 123.1147 58.8427 42.3138 179.3815 28 E 3.9635 8.5740 118.8813 61.1635 29.5344 180.9875 29 S 4.4077 8.0172 114.7407 60.7520 63.1213 176.1774 30 L 3.8892 7.7824 123.2796 58.2623 41.9067 179.0722 31 V 3.7509 7.8454 116.7106 65.6916 31.6724 177.6660 32 S 4.2793 8.0474 112.7048 60.9742 61.9702 176.0424 33 A 4.3318 7.9504 123.0244 53.2198 18.1183 178.8149 *35 E 4.3601 8.2225 120.2087 58.0410 31.9493 180.9094 36 N 4.7874 8.3216 118.3947 52.3867 38.0986 177.5591 *39 L 4.1884 7.7626 118.8407 53.8398 42.7744 178.0095 40 P 4.5296 0.0000 0.0000 60.9596 33.2854 177.1717 41 L 3.9623 8.6283 123.8234 59.2903 41.9438 179.4857 42 E 3.9792 8.2825 117.3717 61.6732 29.4926 181.0151 43 Q 4.2249 8.0606 118.3163 58.7648 28.8376 178.9250 44 S 4.1478 8.2833 116.2600 61.8326 62.8760 176.9524 45 L 4.0573 8.1811 121.5215 57.7222 41.3637 179.1262 46 S 4.0968 8.1636 112.9843 61.8181 62.2639 176.3778 47 A 4.0217 8.7147 123.3172 55.2722 18.0620 178.5610 48 Y 4.0232 8.6481 118.3882 61.0669 38.9648 178.3543 49 R 3.7287 8.5639 118.9914 59.5429 30.3376 179.0362 50 R 3.9289 8.0672 118.2248 59.3461 30.0216 178.8174 51 G 3.5105 8.3998 105.9556 47.6539 0.0000 175.7312 52 V 3.3910 7.7940 120.9757 65.8508 31.5775 178.0327 53 E 3.9369 7.9514 117.9852 59.2980 29.2685 179.4197 54 L 3.9329 7.8603 118.7788 57.7298 41.7481 179.3962 55 A 3.9856 8.2104 120.9000 54.9654 18.2045 179.6037 56 R 3.9183 7.6864 117.4123 59.0964 30.0524 178.8833 57 V 3.5505 7.6362 117.7917 66.1494 31.5828 177.6848 58 C 4.3043 8.0870 116.4104 63.2221 27.9862 176.3054 59 Q 4.0932 8.2663 119.4399 58.9231 28.2720 178.5671 60 D 4.3622 8.1652 119.9731 57.5699 40.8878 179.0544 61 R 4.0045 8.4319 118.8903 59.2369 30.0497 179.2290 62 L 3.8752 8.1216 118.6872 57.4866 41.6273 179.1916 63 A 3.9868 8.1492 120.8067 55.2697 18.3251 179.6661 64 Q 3.8772 8.1468 116.1395 59.1303 28.8608 179.0380 65 A 3.9363 8.0912 121.7372 55.0338 18.4101 179.0298 66 E 3.8071 8.5982 118.2639 59.5424 29.6475 178.8431 67 Q 3.9381 7.9945 119.2748 59.4740 29.1682 178.3345 68 Q 4.0065 8.0602 118.9605 59.0118 28.6215 179.1734 69 V 3.5910 7.7725 119.2637 65.6038 31.5004 178.0178 70 K 3.8787 8.1615 119.4865 59.4647 32.0073 178.8098 71 V 3.5645 7.7708 118.4056 66.2126 31.4301 178.0381 72 L 3.9835 8.0230 118.5530 57.6726 41.3203 179.3217 73 E 4.0474 8.6292 119.1622 59.2625 29.3955 179.2229 74 G 3.8015 8.2013 105.8089 48.4265 0.0000 175.4079 75 D 4.4063 8.1322 120.8616 56.4018 40.8512 178.5221 76 L 4.0896 8.1360 120.6691 58.2988 42.2647 178.8629 77 L 4.1220 8.0832 117.7671 56.0727 41.8913 177.6227 78 R 4.4480 7.3836 117.7477 53.7953 31.3911 174.6842 79 P 4.4052 0.0000 0.0000 63.1970 31.2976 175.9717 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 13 A 8.26 4.26 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 14 R 7.86 4.04 0.00 1.86 1.83 0.00 3.29 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 1.58 1.70 0.00 15 P 0.00 4.12 0.00 2.06 2.01 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 16 L 8.16 4.55 0.00 1.55 1.54 0.89 0.94 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 17 P 0.00 4.36 0.00 2.04 1.95 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 18 Q 8.66 4.57 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 19 D 7.64 5.06 0.00 2.89 2.78 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 20 F 9.06 4.08 0.00 3.13 3.14 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 21 E 8.25 3.96 0.00 2.01 1.94 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 2.31 1.97 0.00 22 T 8.67 4.07 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 1.19 0.00 0.00 23 A 8.00 3.88 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 24 L 7.92 3.55 0.00 0.82 1.42 0.72 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.14 3.91 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 26 E 8.24 3.86 0.00 2.04 1.98 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 2.26 2.28 0.00 27 L 8.22 3.94 0.00 1.77 1.81 0.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.57 3.96 0.00 1.96 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 2.25 2.20 0.00 29 S 8.02 4.41 0.00 4.07 4.12 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 30 L 7.78 3.89 0.00 1.86 1.94 0.90 0.95 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 31 V 7.85 3.75 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 0.97 0.00 0.00 32 S 8.05 4.28 0.00 3.96 3.96 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 0.00 0.00 0.00 33 A 7.95 4.33 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 *35 E 8.22 4.36 0.00 2.03 1.92 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 2.13 1.88 0.00 36 N 8.32 4.79 0.00 2.69 2.71 0.00 0.00 6.98 7.52 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 *39 L 7.76 4.19 0.00 1.68 1.54 0.92 0.94 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 40 P 0.00 4.53 0.00 2.15 2.00 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 41 L 8.63 3.96 0.00 1.74 1.67 0.90 0.91 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 42 E 8.28 3.98 0.00 2.01 1.97 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 2.33 2.00 0.00 43 Q 8.06 4.22 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.03 0.00 44 S 8.28 4.15 0.00 4.03 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 45 L 8.18 4.06 0.00 1.71 1.77 0.92 0.95 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 46 S 8.16 4.10 0.00 3.91 4.20 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 0.00 0.00 0.00 0.00 47 A 8.71 4.02 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 48 Y 8.65 4.02 0.00 3.03 3.19 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 49 R 8.56 3.73 0.00 2.11 1.97 0.00 3.30 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 50 R 8.07 3.93 0.00 2.00 2.06 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 51 G 8.40 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.79 3.39 1.92 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 0.90 0.00 0.00 0.19 0.00 0.00 53 E 7.95 3.94 0.00 2.17 1.94 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 2.48 2.45 0.00 54 L 7.86 3.93 0.00 1.78 1.63 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.21 3.99 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 56 R 7.69 3.92 0.00 1.89 2.06 0.00 3.08 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 57 V 7.64 3.55 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 1.06 0.00 0.00 1.02 0.00 0.00 58 C 8.09 4.30 0.00 3.15 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 59 Q 8.27 4.09 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 60 D 8.17 4.36 0.00 2.94 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 61 R 8.43 4.00 0.00 2.13 2.07 0.00 3.33 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 62 L 8.12 3.88 0.00 1.85 1.66 1.03 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.15 3.99 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 64 Q 8.15 3.88 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 65 A 8.09 3.94 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 66 E 8.60 3.81 0.00 2.06 2.18 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 2.30 2.36 0.00 67 Q 7.99 3.94 0.00 2.37 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 68 Q 8.06 4.01 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 69 V 7.77 3.59 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 1.06 0.00 0.00 0.98 0.00 0.00 70 K 8.16 3.88 0.00 2.14 1.88 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.32 7.81 71 V 7.77 3.56 2.23 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 1.05 0.00 0.00 0.97 0.00 0.00 72 L 8.02 3.98 0.00 1.73 1.69 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.63 4.05 0.00 2.21 1.99 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 2.32 2.48 0.00 74 G 8.20 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 0.00 0.00 0.00 75 D 8.13 4.41 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 76 L 8.14 4.09 0.00 1.68 1.92 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.08 4.12 0.00 1.71 1.71 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 78 R 7.38 4.45 0.00 1.81 1.85 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 79 P 0.00 4.41 0.00 2.03 2.01 0.00 3.70 0.00 0.00 3.69 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 * Residues marked with a * may have inaccurate shift predictions.