NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4527 8.1476 120.3474 55.3567 33.7328 176.2523 2 T 3.7338 8.3394 114.7680 64.0805 68.7770 175.1237 3 Q 3.9661 8.8032 123.2489 58.9513 29.5277 179.2644 4 L 3.9784 7.8370 119.5438 57.7699 41.6060 179.2072 5 E 3.8608 8.2604 118.7265 59.0041 29.3442 178.8397 6 E 3.8918 8.5917 119.8872 59.3022 29.6500 178.5804 7 Q 3.9249 8.1681 119.5827 59.1661 29.0495 178.0573 8 L 3.9048 8.1409 121.5504 58.6305 42.1335 178.6832 9 H 4.2790 8.2874 116.2722 58.9179 28.5679 177.6359 10 N 4.3701 8.4003 118.4706 56.2076 38.3403 177.6659 11 V 3.5851 8.0599 119.8801 66.0627 31.5608 177.8003 12 E 4.0033 8.4124 118.4718 59.7413 29.2584 179.6267 13 T 3.8266 7.9853 115.5855 66.5749 68.5142 176.5720 14 V 3.5904 7.8163 120.1529 66.4324 31.4910 178.2793 15 R 3.8983 8.3726 117.8349 59.2167 29.9104 178.9772 16 S 4.1004 8.3455 113.1815 61.5893 62.3338 176.4066 17 I 3.7935 7.9649 122.4840 64.5295 36.7461 178.4755 18 T 3.8657 8.1596 116.8477 66.9251 68.2539 176.5433 19 M 4.0723 8.1517 120.5284 58.5423 31.9206 178.8146 20 Q 4.0176 8.0676 118.1477 58.8514 28.8147 178.7139 21 L 3.9416 8.2293 121.6336 57.8508 41.9795 178.5197 22 E 3.9148 8.4588 119.6120 59.6883 29.6616 178.7847 23 M 4.0646 8.2006 118.3852 58.3296 31.9667 178.6976 24 A 4.0010 8.2616 121.0600 55.0841 18.4841 179.6595 25 L 3.9355 8.3627 117.9479 58.2150 41.6201 179.7781 26 T 3.8570 8.1185 115.8213 66.6594 68.4181 176.5604 27 K 3.9367 8.0073 121.2910 59.2053 31.9841 178.4527 28 L 3.9469 7.8642 119.8174 58.1284 41.7893 178.6246 29 K 4.2045 8.4959 122.1550 60.1866 31.9550 179.5366 30 K 4.2045 8.1381 122.9421 59.7239 31.5975 179.8205 31 D 5.0382 8.1511 119.7707 54.0363 41.2626 176.6854 32 M 4.5515 7.2428 114.2670 54.2178 36.0803 178.2148 33 M 2.5500 8.1102 125.1908 53.5341 32.7569 175.5467 34 R 4.1175 6.8236 117.4788 54.7294 32.3367 178.2167 35 G 4.0855 9.1071 100.0472 47.3876 0.0000 173.5142 36 G 4.1254 10.1344 105.9278 44.1592 0.0000 172.4379 37 D 4.6749 7.7009 118.6866 50.6247 43.5936 175.5254 38 A 4.0499 8.8168 123.7035 56.1560 18.0486 180.7481 39 K 4.0000 8.0460 121.3984 60.0280 31.8830 181.3022 40 Q 4.3348 9.4391 122.6264 59.6090 28.5328 179.2535 *41 Y 4.1701 8.2168 121.8828 62.2947 37.0809 180.4897 42 Q 4.2561 8.2228 120.1832 58.5703 28.7234 179.2323 43 V 3.6062 7.7514 119.2745 65.6634 31.6641 177.7494 44 W 4.2485 8.5382 128.3747 60.5512 30.4018 177.8412 45 Q 2.7380 8.3585 117.9656 58.7091 28.1523 179.0868 46 R 3.7818 7.5746 118.3320 59.3768 30.1281 179.1252 47 E 3.8918 8.4657 118.7449 59.3071 29.4407 179.3411 48 S 3.9643 7.9809 113.6797 60.8596 62.3073 176.1838 49 K 3.7664 7.7299 122.3075 59.3373 31.9607 178.4724 50 A 3.9616 7.9813 121.1228 55.3081 18.2353 179.7193 51 L 3.8842 7.8272 117.2096 57.9053 41.7838 179.0694 52 E 3.9219 8.5379 119.6700 59.6908 29.5100 179.2007 53 S 4.1447 8.1744 114.7764 61.2624 62.9657 176.4871 54 A 4.0453 7.9613 123.7883 54.9396 18.1336 179.7537 55 I 3.6406 7.9138 118.1904 64.3684 37.1498 178.3986 56 A 3.9940 8.0497 121.5065 55.4332 18.2279 179.5426 57 I 3.6453 7.5903 117.9928 64.6677 37.0553 178.6046 58 I 3.8920 7.6601 113.3723 63.8196 37.4270 177.5127 59 H 4.3598 8.2051 123.1281 59.7588 29.9179 176.9739 *60 Y 4.0766 8.0851 122.6832 61.4852 36.5043 179.4406 61 V 3.8259 8.5242 119.6260 66.0635 31.5907 178.4438 62 A 4.0890 7.9397 120.1582 55.1470 18.4096 179.8777 63 G 3.4383 8.4664 104.2155 47.4349 0.0000 175.2719 64 D 4.5644 7.4373 119.8408 56.2061 40.8520 177.4134 65 L 4.4730 8.2627 121.1734 55.2638 42.0407 177.3107 66 K 4.1912 7.7577 125.9082 54.7614 31.7017 181.8154 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 M 8.15 4.45 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.59 0.00 2 T 8.34 3.73 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 3 Q 8.80 3.97 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 4 L 7.84 3.98 0.00 1.85 1.68 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.26 3.86 0.00 2.15 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 2.28 2.50 0.00 6 E 8.59 3.89 0.00 2.09 2.12 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 2.31 2.33 0.00 7 Q 8.17 3.92 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 8 L 8.14 3.90 0.00 1.80 1.69 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.29 4.28 0.00 3.21 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.40 4.37 0.00 2.96 2.87 0.00 0.00 6.62 7.25 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 11 V 8.06 3.59 2.19 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 1.07 0.00 0.00 0.99 0.00 0.00 12 E 8.41 4.00 0.00 2.23 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 2.54 0.00 13 T 7.99 3.83 4.41 0.00 0.00 0.00 0.00 0.00 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 14 V 7.82 3.59 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 1.10 0.00 0.00 0.97 0.00 0.00 15 R 8.37 3.90 0.00 2.03 1.96 0.00 3.35 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 1.64 1.78 0.00 16 S 8.35 4.10 0.00 3.92 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 17 I 7.96 3.79 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 1.52 0.58 0.91 0.00 0.00 18 T 8.16 3.87 4.35 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 1.21 0.00 0.00 19 M 8.15 4.07 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.59 0.00 20 Q 8.07 4.02 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 21 L 8.23 3.94 0.00 1.84 1.85 0.93 0.88 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 22 E 8.46 3.91 0.00 2.17 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 2.32 2.37 0.00 23 M 8.20 4.06 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 24 A 8.26 4.00 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 25 L 8.36 3.94 0.00 1.79 1.74 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.12 3.86 4.44 0.00 0.00 0.00 0.00 0.00 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 27 K 8.01 3.94 0.00 1.86 1.96 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.46 7.81 28 L 7.86 3.95 0.00 1.85 1.92 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.50 4.20 0.00 1.94 2.00 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.46 7.81 30 K 8.14 4.20 0.00 1.89 1.72 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.35 7.81 31 D 8.15 5.04 0.00 2.68 2.72 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 32 M 7.24 4.55 0.00 2.01 1.77 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 33 M 8.11 2.55 0.00 0.51 1.28 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 34 R 6.82 4.12 0.00 1.83 1.76 0.00 3.23 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.19 0.00 35 G 9.11 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 0.00 0.00 0.00 0.00 36 G 10.13 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 0.00 0.00 0.00 0.00 37 D 7.70 4.67 0.00 2.87 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 38 A 8.82 4.05 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 39 K 8.05 4.00 0.00 1.78 1.83 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.10 7.81 40 Q 9.44 4.33 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 *41 Y 8.22 4.17 0.00 2.31 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 0.00 0.00 0.00 0.00 42 Q 8.22 4.26 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 43 V 7.75 3.61 2.29 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 0.99 0.00 0.00 0.99 0.00 0.00 44 W 8.54 4.25 0.00 3.47 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.36 2.74 0.00 2.27 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.57 0.00 46 R 7.57 3.78 0.00 1.95 1.91 0.00 3.09 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 47 E 8.47 3.89 0.00 1.90 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 2.41 0.00 48 S 7.98 3.96 0.00 3.36 2.95 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 0.00 0.00 0.00 49 K 7.73 3.77 0.00 1.87 1.84 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.42 7.81 50 A 7.98 3.96 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 51 L 7.83 3.88 0.00 1.86 1.71 0.93 0.81 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 52 E 8.54 3.92 0.00 1.99 2.12 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 2.28 2.34 0.00 53 S 8.17 4.14 0.00 4.02 3.87 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 54 A 7.96 4.05 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 55 I 7.91 3.64 2.02 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 1.46 0.87 0.91 0.00 0.00 56 A 8.05 3.99 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 57 I 7.59 3.65 1.87 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 1.58 0.59 0.91 0.00 0.00 58 I 7.66 3.89 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 1.66 0.78 0.94 0.00 0.00 59 H 8.21 4.36 0.00 3.32 3.59 0.00 5.79 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *60 Y 8.09 4.08 0.00 2.36 2.22 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 61 V 8.52 3.83 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 0.94 0.00 0.00 0.93 0.00 0.00 62 A 7.94 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.47 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.44 4.56 0.00 2.78 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 65 L 8.26 4.47 0.00 1.71 1.69 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.76 4.19 0.00 1.82 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.