NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.9885 8.2133 109.7407 45.7077 0.0000 173.8049 6 T 3.7088 8.4562 114.7542 66.1733 68.2395 175.1392 7 L 4.0818 7.6980 120.8006 58.0915 42.3081 179.1817 8 T 3.9820 7.8852 109.2316 64.7139 68.8550 176.6893 9 R 3.9498 8.3129 121.1849 59.1530 29.9908 178.3477 10 Y 3.9820 7.8861 119.4006 60.7382 38.6443 178.0033 11 L 4.0588 8.0728 118.6366 57.7877 41.8081 178.7805 12 E 4.0629 8.3616 118.5571 59.3527 30.0032 178.2441 13 E 4.0476 8.2441 119.0635 58.9544 29.1984 178.8500 14 A 3.7138 7.7867 116.8110 53.1625 17.9530 178.6891 *16 A 4.0837 7.8854 124.4877 53.5113 20.3383 178.9604 17 R 4.1334 7.7530 111.5455 56.9526 30.5712 176.8604 18 A 4.3197 7.2032 120.5735 51.9800 19.1218 177.2140 19 R 4.7284 8.7074 116.9084 54.5667 32.8981 174.1033 20 Y 5.3891 8.5341 117.1006 56.8133 42.0410 174.2721 21 E 4.8608 9.4836 121.6003 54.9592 33.8794 173.8723 22 L 4.8085 8.5404 125.9354 54.3394 42.7295 176.1392 23 I 4.5471 8.6585 116.5368 58.7582 41.5077 175.2029 24 A 4.5125 8.3376 126.6748 50.9675 16.7819 176.0908 25 D 4.9185 7.6034 119.3392 51.3288 45.0828 175.2965 26 E 4.0303 8.9459 121.1723 58.6105 29.5303 176.8015 27 E 4.5658 8.4886 119.7968 54.0086 28.9465 173.6573 28 P 4.6585 0.0000 0.0000 63.5861 33.1354 175.3391 29 Y 4.7934 8.1786 120.3027 57.3746 39.3042 173.7341 30 Y 5.2353 9.4452 126.4481 55.8743 41.5937 174.6057 31 G 4.1442 8.4798 112.6224 44.4336 0.0000 171.0435 32 E 4.9946 8.4391 119.1201 54.8893 33.9894 174.1776 33 I 4.4140 7.9131 121.1166 58.9351 38.3273 174.8933 34 P 4.1761 0.0000 0.0000 65.5471 31.3609 178.0701 35 D 4.4599 7.9493 116.2511 55.9530 41.1350 176.2591 36 L 4.4725 7.7205 119.7341 51.0411 42.0323 172.8628 37 P 4.3078 0.0000 0.0000 64.3370 31.7331 177.1888 38 G 3.9586 9.1199 110.9603 45.0389 0.0000 173.0600 39 V 4.0389 7.4521 121.1430 61.5730 32.0953 174.6474 40 W 5.3539 7.8432 123.4433 55.9297 31.2028 172.8806 41 A 4.3821 8.6913 121.2062 51.5146 22.5883 175.0735 42 T 5.3464 8.5421 108.6741 60.4452 72.3746 173.1503 43 G 4.3468 9.1047 108.1630 45.0947 0.0000 174.4285 44 K 4.3903 9.6667 120.7188 58.3298 32.4364 177.9564 45 S 4.5078 7.5971 112.5899 55.3499 67.5258 174.4958 46 L 3.3871 7.0949 122.8536 57.7128 41.7382 178.7622 47 K 3.7668 7.6018 119.2286 59.4265 32.1570 178.2650 48 E 3.9224 8.1299 119.6155 59.2103 29.4831 178.3228 49 C 4.1295 8.2571 118.9961 62.4408 31.7044 175.0872 50 E 4.0577 8.3009 120.7090 59.2657 29.1814 178.6032 51 A 3.9855 8.0205 120.6383 55.4382 18.4982 179.3993 52 N 4.2787 8.3561 115.0665 56.2640 38.5507 177.5099 53 L 3.8599 8.0381 121.9523 57.8821 42.1105 178.5876 54 Q 3.9115 8.1959 119.3577 59.2499 29.0168 178.1240 55 A 3.9610 7.9805 121.4322 55.3035 18.2829 179.5519 56 A 3.8826 7.9856 119.1253 54.9534 18.4070 179.4616 57 L 3.9106 8.3658 119.2624 58.5428 42.0912 179.1961 58 E 4.0806 8.5474 118.6313 59.4825 29.4186 178.9465 59 D 4.4123 8.2221 118.9576 57.2790 41.0425 178.7666 60 W 4.1928 8.6548 129.0715 60.3497 30.6141 177.8093 61 L 3.6156 8.5450 120.4302 57.9517 41.5473 178.4559 62 L 3.8616 8.1540 120.5273 58.1273 42.0201 178.5700 63 F 3.9407 8.1852 120.3316 61.3697 39.3279 177.1059 64 L 3.8338 7.4253 117.7599 57.7185 41.3958 179.5367 65 L 3.8653 7.8913 119.3593 57.7617 41.3658 179.6927 66 S 4.1552 7.9337 112.5687 60.3371 63.0960 175.3740 67 R 4.1038 7.0096 119.3904 55.9588 30.0453 176.6745 68 G 3.8351 7.6762 105.8063 46.1947 0.0000 173.0787 69 E 4.5235 7.7326 118.7299 54.5943 31.1522 175.6031 70 T 4.3200 8.0448 112.5582 59.4480 70.3631 173.0911 71 P 4.5305 0.0000 0.0000 61.5081 32.2242 174.2189 72 P 4.4420 0.0000 0.0000 62.3804 31.7725 174.9497 73 P 4.6668 0.0000 0.0000 62.7248 31.9703 176.6616 74 L 4.5610 9.1139 123.0725 53.5323 42.7266 179.0112 75 G 4.1062 8.1563 116.5606 46.6150 0.0000 173.9186 76 E 4.1057 9.0841 122.8688 56.9380 30.2036 176.1864 77 V 4.2275 8.0256 121.8311 61.5760 32.2638 174.8186 78 R 5.0522 8.4577 124.8650 54.5367 34.0076 174.8439 79 I 4.3079 8.2230 120.1614 59.9323 38.3917 175.8883 80 E 4.2360 8.6594 124.0714 56.3358 29.5617 176.3049 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 5 G 8.21 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.46 3.71 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 1.22 0.00 0.00 7 L 7.70 4.08 0.00 1.72 1.74 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.89 3.98 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 9 R 8.31 3.95 0.00 2.03 2.07 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 10 Y 7.89 3.98 0.00 3.18 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 11 L 8.07 4.06 0.00 1.85 1.79 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.36 4.06 0.00 1.98 2.14 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 2.32 2.32 0.00 13 E 8.24 4.05 0.00 2.13 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 0.00 2.20 2.22 0.00 14 A 7.79 3.71 1.22 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 0.00 0.00 *16 A 7.89 4.08 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 17 R 7.75 4.13 0.00 1.92 2.03 0.00 3.06 0.00 0.00 3.48 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 18 A 7.20 4.32 0.95 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 0.00 0.00 19 R 8.71 4.73 0.00 1.82 1.95 0.00 2.73 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 20 Y 8.53 5.39 0.00 2.88 3.03 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 0.00 0.00 0.00 21 E 9.48 4.86 0.00 2.15 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 2.21 2.36 0.00 22 L 8.54 4.81 0.00 1.50 1.46 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.66 4.55 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.96 0.78 0.00 0.00 24 A 8.34 4.51 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.60 4.92 0.00 2.58 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 4.03 0.00 2.14 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 2.33 2.32 0.00 27 E 8.49 4.57 0.00 2.20 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 2.28 0.00 28 P 0.00 4.66 0.00 1.84 2.21 0.00 4.10 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.79 0.00 29 Y 8.18 4.79 0.00 3.19 3.06 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 30 Y 9.45 5.24 0.00 3.10 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 31 G 8.48 4.14 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 0.00 32 E 8.44 4.99 0.00 2.09 1.87 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 2.23 2.24 0.00 33 I 7.91 4.41 1.65 0.00 0.00 0.71 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 0.63 0.76 0.00 0.00 34 P 0.00 4.18 0.00 2.00 2.10 0.00 3.68 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 1.99 2.08 0.00 35 D 7.95 4.46 0.00 2.59 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 4.47 0.00 1.11 0.57 0.58 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.31 0.00 2.11 2.06 0.00 3.75 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 2.09 2.12 0.00 38 G 9.12 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 0.00 0.00 0.00 39 V 7.45 4.04 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 0.72 0.00 0.00 -0.11 0.00 0.00 40 W 7.84 5.35 0.00 3.32 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 41 A 8.69 4.38 1.09 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 42 T 8.54 5.35 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 43 G 9.10 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 0.00 0.00 0.00 0.00 44 K 9.67 4.39 0.00 1.83 1.96 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.52 7.81 45 S 7.60 4.51 0.00 3.77 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 46 L 7.09 3.39 0.00 0.79 1.20 0.50 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.60 3.77 0.00 1.74 1.66 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 48 E 8.13 3.92 0.00 2.07 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 2.32 2.31 0.00 49 C 8.26 4.13 0.00 3.24 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 50 E 8.30 4.06 0.00 1.99 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 2.42 2.46 0.00 51 A 8.02 3.99 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 52 N 8.36 4.28 0.00 2.87 2.83 0.00 0.00 6.73 6.58 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 53 L 8.04 3.86 0.00 1.83 1.84 0.80 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.20 3.91 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 55 A 7.98 3.96 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 56 A 7.99 3.88 1.20 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 0.00 0.00 57 L 8.37 3.91 0.00 1.72 1.96 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.55 4.08 0.00 2.08 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 2.40 2.64 0.00 59 D 8.22 4.41 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 W 8.65 4.19 0.00 3.35 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.54 3.62 0.00 2.22 1.93 0.71 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.15 3.86 0.00 1.87 1.87 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.19 3.94 0.00 3.14 3.06 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 64 L 7.43 3.83 0.00 1.45 1.37 0.20 -0.13 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 65 L 7.89 3.87 0.00 1.55 1.61 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.93 4.16 0.00 3.89 3.92 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 0.00 0.00 0.00 67 R 7.01 4.10 0.00 1.72 1.73 0.00 2.91 0.00 0.00 2.36 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.24 0.00 68 G 7.68 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 0.00 0.00 0.00 69 E 7.73 4.52 0.00 1.97 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 2.20 2.11 0.00 70 T 8.04 4.32 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 71 P 0.00 4.53 0.00 2.29 2.01 0.00 3.59 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.46 0.00 72 P 0.00 4.44 0.00 2.26 2.18 0.00 4.26 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 73 P 0.00 4.67 0.00 2.10 2.06 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 74 L 9.11 4.56 0.00 1.46 1.46 0.11 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.16 4.11 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 0.00 0.00 0.00 76 E 9.08 4.11 0.00 2.11 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 2.29 2.25 0.00 77 V 8.03 4.23 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 0.95 0.00 0.00 0.94 0.00 0.00 78 R 8.46 5.05 0.00 1.84 1.81 0.00 3.24 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 79 I 8.22 4.31 1.56 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.27 0.79 0.00 0.00 80 E 8.66 4.24 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.