NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2384 8.2985 121.4701 55.7257 31.5067 177.1430 13 A 3.9678 7.9953 120.3080 53.6891 18.4160 176.2626 14 R 3.5105 6.9377 114.1931 59.3828 31.1165 173.4633 15 K 4.1777 8.1836 128.1534 59.1768 32.7456 177.5419 16 L 5.5006 8.5253 135.0000 56.2389 41.0527 175.3991 17 S 4.5902 7.9774 114.9456 60.4894 61.9339 174.3366 18 P 4.3500 0.0000 0.0000 65.5961 31.2770 178.5725 19 V 3.5705 7.8252 116.3848 67.0440 31.2783 177.1582 20 E 4.0967 8.7072 118.9779 58.0993 29.2354 178.7181 21 L 3.9143 8.9872 119.5455 58.3472 41.9840 179.2723 22 E 3.8699 10.1353 118.4874 59.3662 29.3320 178.5754 23 K 3.7913 7.7574 118.4326 59.6626 32.4012 177.7372 24 L 4.0124 8.2735 120.8370 58.5839 41.4925 179.4764 25 V 3.6112 8.0384 118.4566 64.7725 31.2593 179.4419 26 R 4.4198 8.0880 117.8930 55.3886 30.4229 177.0554 27 E 4.5036 9.3547 119.4115 56.8358 33.7502 177.1995 28 K 3.7998 8.0350 118.1477 59.5107 32.3189 177.7842 29 K 3.7304 8.2044 118.6778 59.9542 31.6644 178.3974 30 R 4.1760 7.6024 118.7127 58.3176 29.8806 177.8712 31 E 3.9193 7.7548 120.0479 58.5674 29.9346 176.9884 32 L 4.5757 8.2554 120.9149 55.6597 40.8991 175.9340 33 M 3.0188 8.7357 117.9594 55.6501 29.6819 176.3395 34 E 4.1413 8.4995 122.7700 56.0386 31.0571 176.0309 35 L 4.0772 8.3424 128.7192 55.3876 40.6159 177.8973 36 R 4.5327 7.2566 123.2434 53.3707 30.5392 173.6420 37 F 4.8733 7.3950 116.3226 57.9873 41.0544 172.8435 38 Q 4.0552 8.4509 124.2044 56.1885 28.6183 176.4962 39 A 4.3708 6.1866 121.0880 53.9763 19.0374 181.2423 40 S 3.5921 6.1473 107.8089 60.4978 66.4534 175.8725 41 I 3.4641 8.6491 118.0603 62.4432 37.9328 181.2784 42 G 3.4726 8.1945 105.8464 45.2315 0.0000 177.8625 43 Q 4.3794 6.0128 115.5695 56.3722 28.9264 176.4042 44 L 4.5265 9.1813 120.7975 56.9818 44.1530 178.2300 45 S 4.2773 7.6787 110.5735 59.0202 61.9665 174.9462 46 Q 3.9246 7.6824 120.1812 60.2002 28.8778 177.8568 47 N 5.1851 8.2287 114.2064 55.5235 37.1665 176.0025 48 H 4.1462 7.8770 116.6507 57.0380 29.5858 174.2364 49 K 4.3442 9.0460 120.3208 56.7644 40.3500 175.3152 50 I 3.4267 7.5583 110.1972 62.6006 38.0623 172.1892 51 R 3.8552 8.8571 130.3992 58.8571 28.3242 174.1712 52 D 4.7301 9.2483 123.7116 54.0360 39.7791 176.3426 53 L 3.4084 10.1002 118.5644 53.8384 42.3447 176.4449 54 K 3.8165 9.2832 125.2648 56.9543 28.4849 176.8111 55 R 4.4894 7.7381 112.3666 57.6000 33.6705 175.0246 56 Q 4.3741 7.7647 117.1675 54.9251 27.4801 174.9101 57 I 3.9071 7.3432 117.3675 59.6331 38.6384 174.9142 58 A 4.2432 8.4150 132.0947 50.9367 18.2798 176.5794 59 R 3.9053 8.5000 122.8461 56.3810 28.9150 175.1120 60 L 3.7488 8.1833 123.1915 57.8913 42.1131 177.4102 61 L 3.9172 8.5464 130.1093 56.1505 38.3773 175.1881 *62 T 4.1515 7.7239 114.7734 61.1286 69.1019 175.8540 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 E 8.30 4.24 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 13 A 8.00 3.97 1.32 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 0.00 0.00 14 R 6.94 3.51 0.00 1.92 1.77 0.00 3.12 0.00 0.00 3.22 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 15 K 8.18 4.18 0.00 1.90 1.88 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.44 7.81 16 L 8.53 5.50 0.00 1.85 2.04 0.92 0.82 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 17 S 7.98 4.59 0.00 3.88 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 0.00 18 P 0.00 4.35 0.00 2.19 2.07 0.00 3.66 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 2.11 2.14 0.00 19 V 7.83 3.57 2.24 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 1.06 0.00 0.00 0.93 0.00 0.00 20 E 8.71 4.10 0.00 2.24 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 2.32 2.65 0.00 21 L 8.99 3.91 0.00 1.73 1.76 0.96 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 22 E 10.14 3.87 0.00 2.23 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 2.30 2.37 0.00 23 K 7.76 3.79 0.00 1.79 2.03 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.50 7.81 24 L 8.27 4.01 0.00 1.84 1.87 0.92 0.92 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 25 V 8.04 3.61 2.26 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 0.89 0.00 0.00 0.90 0.00 0.00 26 R 8.09 4.42 0.00 1.89 1.97 0.00 3.14 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 27 E 9.35 4.50 0.00 2.09 2.06 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 2.15 2.20 0.00 28 K 8.04 3.80 0.00 1.78 1.64 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.00 7.81 29 K 8.20 3.73 0.00 1.77 1.70 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.59 7.81 30 R 7.60 4.18 0.00 1.92 2.02 0.00 3.15 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 31 E 7.75 3.92 0.00 1.88 1.72 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 2.10 2.27 0.00 32 L 8.26 4.58 0.00 1.47 1.23 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.74 3.02 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 34 E 8.50 4.14 0.00 2.09 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 2.30 2.25 0.00 35 L 8.34 4.08 0.00 1.80 1.84 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.26 4.53 0.00 1.78 1.91 0.00 3.51 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 37 F 7.39 4.87 0.00 3.13 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 38 Q 8.45 4.06 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.28 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 39 A 6.19 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 6.15 3.59 0.00 4.10 3.84 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 0.00 0.00 0.00 41 I 8.65 3.46 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 1.36 1.18 0.94 0.00 0.00 42 G 8.19 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.01 4.38 0.00 2.48 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.67 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 44 L 9.18 4.53 0.00 1.97 1.63 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.68 4.28 0.00 4.10 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 46 Q 7.68 3.92 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 47 N 8.23 5.19 0.00 3.06 3.11 0.00 0.00 6.34 7.90 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 48 H 7.88 4.15 0.00 3.18 3.38 0.00 5.81 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 9.05 4.34 0.00 1.74 1.59 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.29 1.44 7.81 50 I 7.56 3.43 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.10 0.92 0.00 0.00 51 R 8.86 3.86 0.00 1.97 2.06 0.00 3.38 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 52 D 9.25 4.73 0.00 2.75 2.84 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 0.00 0.00 0.00 53 L 10.10 3.41 0.00 1.67 1.58 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 54 K 9.28 3.82 0.00 1.96 1.91 0.00 1.84 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.41 7.81 55 R 7.74 4.49 0.00 1.83 1.82 0.00 3.25 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 56 Q 7.76 4.37 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 57 I 7.34 3.91 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 1.35 0.65 0.91 0.00 0.00 58 A 8.41 4.24 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 59 R 8.50 3.91 0.00 1.79 1.95 0.00 3.30 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 60 L 8.18 3.75 0.00 1.58 1.64 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.55 3.92 0.00 1.73 2.10 0.92 0.89 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 *62 T 7.72 4.15 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 * Residues marked with a * may have inaccurate shift predictions.