NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.1635 8.4445 121.7106 55.5565 30.2892 175.4675 *4 W 4.3944 8.1653 128.2720 55.4059 31.4624 172.1300 5 S 4.2916 9.1464 121.7509 61.4309 62.0299 176.4960 6 E 3.9643 8.0967 120.3464 61.1109 29.5990 181.6458 7 E 4.1050 8.0740 120.0402 58.8788 29.7621 178.8225 8 V 3.5438 8.0801 118.6135 66.0139 31.5635 177.3585 9 E 3.9140 8.2070 118.8776 59.5048 29.3730 178.8116 10 R 3.9348 8.1256 117.9272 59.5095 30.1520 179.2509 11 K 4.0288 8.3621 118.2470 59.3990 32.0316 179.5364 12 L 4.0821 8.1709 119.3923 57.7996 41.4803 179.7289 13 K 4.0561 8.3529 118.6462 59.4125 31.9241 179.0878 14 E 3.9293 8.5482 119.8831 58.9310 29.5210 178.4453 15 F 4.0969 8.4677 120.9629 61.4455 39.6060 177.3298 16 V 3.3119 7.9072 117.6507 65.7901 31.2754 177.8733 17 R 3.8441 8.1665 118.6012 59.6661 29.9312 178.7710 18 R 3.8616 8.3065 118.2072 59.2380 29.9787 178.5273 19 H 3.8177 7.8647 118.1858 59.2634 29.7642 177.1507 20 Q 3.9472 7.8735 120.9249 59.0229 28.8444 177.6734 21 E 3.9034 8.2443 120.4793 59.4006 29.6678 178.9215 22 I 3.6828 8.0771 120.1968 64.5981 37.0592 178.6108 23 T 3.8295 7.9269 116.5191 66.7769 68.3195 176.8139 24 Q 4.0248 8.4407 120.5997 58.8679 28.7003 178.6944 25 E 4.0401 8.4180 118.8112 59.6128 29.5352 179.4027 26 T 3.8561 8.0800 116.6772 66.4844 68.5268 176.6899 27 L 4.0857 8.1481 121.0031 58.0498 41.5492 179.2835 28 H 4.1131 8.3451 116.1918 58.8889 28.5922 177.4565 29 E 3.9503 8.4445 121.1337 59.3131 29.3761 178.1679 30 Y 4.2420 8.5045 119.7379 60.8549 38.8477 177.9618 31 A 3.7825 8.2547 121.7230 55.0830 18.4333 179.6017 32 Q 3.9074 8.2996 116.6550 59.1875 28.8715 179.3096 33 K 3.9946 8.3168 119.7218 59.3457 31.9798 179.4372 34 L 3.9248 8.0902 119.8260 57.5387 41.4148 179.5589 35 G 3.6975 8.2058 105.9327 48.0692 0.0000 175.6562 36 L 3.9774 7.9625 121.5737 57.3885 41.6286 179.2002 37 N 4.2782 8.0155 117.0602 56.5546 38.8922 176.8201 38 Q 3.9189 8.3250 121.3693 59.2707 29.1499 178.1395 39 Q 4.0026 8.3113 118.9905 58.8472 28.7023 178.7785 40 A 3.9644 7.8443 121.8944 55.1263 18.4697 179.5176 41 I 3.5877 7.5690 116.6334 63.7286 38.0002 177.9674 42 E 4.0126 8.1739 119.7192 59.4749 29.2275 179.1707 43 Q 4.0335 8.2076 118.0855 58.9222 28.7868 178.7373 44 F 4.1895 8.2376 121.5170 61.3390 39.4101 177.0585 45 F 4.2895 7.9948 117.2728 60.7288 38.6501 177.8139 46 R 3.9524 8.1555 117.4545 59.5325 29.7045 179.0834 47 E 3.9441 8.2294 117.1729 59.1340 29.6750 178.9862 48 F 4.0663 8.4167 121.2590 61.1120 39.4318 176.7635 49 E 3.8492 8.2967 118.9879 59.4900 29.2063 178.5803 50 Q 3.9691 8.0356 117.0798 59.1561 28.8764 178.8255 51 R 4.1014 7.3707 116.2748 56.9404 30.3420 176.7025 52 K 3.9887 7.6590 123.3071 57.0009 32.4972 176.6658 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 3 Q 8.44 4.16 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 *4 W 8.17 4.39 0.00 2.57 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 0.00 0.00 0.00 5 S 9.15 4.29 0.00 3.87 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 6 E 8.10 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 1.93 0.00 7 E 8.07 4.10 0.00 2.07 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 2.38 2.43 0.00 8 V 8.08 3.54 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 0.93 0.00 0.00 0.96 0.00 0.00 9 E 8.21 3.91 0.00 2.15 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 2.32 2.38 0.00 10 R 8.13 3.93 0.00 2.15 1.99 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 11 K 8.36 4.03 0.00 1.91 1.88 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.63 7.81 12 L 8.17 4.08 0.00 1.84 1.76 0.92 0.56 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 13 K 8.35 4.06 0.00 2.03 1.88 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.56 7.81 14 E 8.55 3.93 0.00 2.16 2.13 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 2.34 2.40 0.00 15 F 8.47 4.10 0.00 3.23 3.32 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 16 V 7.91 3.31 2.11 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 0.92 0.00 0.00 1.11 0.00 0.00 17 R 8.17 3.84 0.00 2.00 2.01 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 18 R 8.31 3.86 0.00 1.82 1.89 0.00 3.34 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 19 H 7.86 3.82 0.00 2.88 3.18 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.87 3.95 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 21 E 8.24 3.90 0.00 2.13 2.05 0.00 0.00 0.00 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 2.34 0.00 22 I 8.08 3.68 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.48 0.84 0.00 0.00 23 T 7.93 3.83 4.39 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 1.20 0.00 0.00 24 Q 8.44 4.02 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 25 E 8.42 4.04 0.00 2.20 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 2.47 2.35 0.00 26 T 8.08 3.86 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 27 L 8.15 4.09 0.00 1.66 1.71 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.35 4.11 0.00 3.38 3.55 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.44 3.95 0.00 2.08 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 2.37 2.35 0.00 30 Y 8.50 4.24 0.00 3.12 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.25 3.78 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 32 Q 8.30 3.91 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 33 K 8.32 3.99 0.00 1.91 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.63 7.81 34 L 8.09 3.92 0.00 1.51 1.49 -0.23 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.21 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 3.98 0.00 1.84 1.71 0.91 0.39 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 37 N 8.02 4.28 0.00 2.81 2.86 0.00 0.00 6.85 6.69 0.00 0.00 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 8.33 3.92 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 39 Q 8.31 4.00 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 40 A 7.84 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 41 I 7.57 3.59 1.69 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.45 0.85 0.00 0.00 42 E 8.17 4.01 0.00 2.23 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 2.42 2.49 0.00 43 Q 8.21 4.03 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 44 F 8.24 4.19 0.00 3.08 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 45 F 7.99 4.29 0.00 3.28 2.91 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 0.00 0.00 0.00 46 R 8.16 3.95 0.00 2.03 2.00 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 47 E 8.23 3.94 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 48 F 8.42 4.07 0.00 2.35 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.30 3.85 0.00 2.11 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 2.29 2.37 0.00 50 Q 8.04 3.97 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 51 R 7.37 4.10 0.00 1.60 1.79 0.00 3.09 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 52 K 7.66 3.99 0.00 1.74 1.71 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.