NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1425 7.8827 114.2705 60.9104 40.1563 177.4561 4 V 3.3593 7.8137 120.4801 65.1051 31.3631 176.1361 5 Q 3.9673 8.2181 119.0761 59.2448 29.2760 177.4328 6 Q 4.1216 8.0040 120.1566 59.2833 29.1746 177.9865 7 Q 3.9942 8.4462 119.4872 58.9275 28.6126 178.4662 8 N 4.3603 8.3448 117.6653 56.1404 38.5694 177.0998 9 N 4.3052 8.3242 117.9873 56.5051 38.6361 177.4433 10 L 4.0092 8.1204 120.3564 57.5819 41.5939 179.3503 11 L 3.9347 8.0888 120.3136 58.3726 42.0280 179.2805 12 R 4.2162 8.5493 119.2487 58.5520 29.8570 179.0008 13 A 3.9814 8.0533 120.6389 55.2692 18.3667 179.7620 14 I 3.6940 8.0525 118.6280 64.4460 36.9234 178.5218 15 E 3.9378 8.5473 119.5447 59.4942 29.3628 179.3698 16 A 4.0862 8.2633 120.8457 55.2333 18.4224 179.7295 17 Q 4.0060 8.5658 117.1213 59.0579 28.6333 178.7527 18 Q 4.0700 8.2964 120.9293 59.2807 29.0745 177.8958 19 H 4.1247 8.1931 117.3095 58.6675 28.7571 177.4726 20 L 3.9693 8.0350 122.0194 58.1378 41.8789 178.7232 21 L 4.0174 8.3333 119.3180 58.2972 41.5523 179.7263 22 Q 4.0520 8.4380 117.9034 58.9363 28.5879 178.9181 23 L 4.0865 8.1770 120.4035 57.9628 41.5784 179.6538 24 T 4.0298 8.1619 109.9474 64.5981 68.7317 176.9529 25 V 3.7311 8.2542 121.4605 65.6751 31.6501 177.7401 26 W 4.2371 8.6760 128.4540 60.4355 30.5013 178.1047 27 G 3.6208 8.6117 105.6685 47.9329 0.0000 175.7585 28 I 3.5838 7.9953 122.6426 63.9747 37.0901 178.7444 29 K 4.1015 7.9967 120.6540 58.8716 31.5391 179.4726 30 Q 3.6518 7.1314 117.6657 58.6262 28.5910 178.2837 31 L 4.0378 7.4325 119.5341 57.3493 41.8252 178.9800 32 Q 4.2607 7.8830 117.2659 57.2601 28.5434 175.3692 33 A 4.0694 7.3681 123.6848 51.8057 17.6157 177.4321 *39 G 3.7796 8.4037 113.0661 46.2027 0.0000 173.0270 40 G 3.8270 8.7215 108.1355 45.2443 0.0000 175.3061 41 W 4.8239 8.0236 120.7831 57.3666 29.5520 177.9181 42 M 4.2167 8.1012 122.9008 60.0322 30.7481 182.5854 43 E 4.2620 8.2717 119.9586 58.6926 29.9067 178.4297 44 W 4.2471 8.4194 128.1171 60.6742 30.8371 177.5703 45 D 4.3269 8.9948 119.3151 57.2054 40.1864 178.5877 46 R 3.8733 8.1653 119.2284 59.6660 30.0110 178.5133 47 E 3.9713 8.3524 118.2987 59.2812 29.3807 179.3471 48 I 3.4764 7.7781 120.2886 64.3461 37.0229 178.2080 49 N 4.2602 8.3350 117.5797 56.3673 38.2986 177.3004 50 N 4.1901 8.2649 117.9831 56.6182 38.5835 177.2394 51 Y 3.9333 8.0848 118.3239 61.0799 37.8648 178.4941 52 T 3.7809 8.2786 117.2436 66.7648 68.5300 176.8501 53 S 4.0468 8.1771 117.1625 61.2605 62.8333 176.4215 54 L 3.8873 8.0372 123.2620 58.2950 41.8029 178.9702 55 I 3.7442 8.1475 118.9020 64.2974 37.8021 177.4713 56 H 4.2585 8.3797 117.5007 58.8995 28.4639 177.8710 57 S 4.1291 8.2700 116.0614 61.5826 62.7270 176.6250 58 L 3.9962 8.0691 122.6755 57.2827 41.3232 179.6057 59 I 3.7137 8.1803 120.2866 64.4797 37.1027 178.3190 60 E 4.2796 8.4310 121.1102 58.7001 29.0138 178.9577 61 E 3.9246 8.2145 118.7252 59.5378 29.7950 178.8471 62 S 4.2730 8.0511 113.8487 61.6271 62.8667 176.2871 63 Q 4.1385 8.5313 121.1750 58.9583 28.2967 176.3561 64 N 4.6029 8.1039 121.0214 53.9152 39.1562 174.2251 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 I 7.88 4.14 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 1.30 0.86 0.91 0.00 0.00 4 V 7.81 3.36 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 0.99 0.00 0.00 0.93 0.00 0.00 5 Q 8.22 3.97 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.43 1.99 0.00 6 Q 8.00 4.12 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 7 Q 8.45 3.99 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 8 N 8.34 4.36 0.00 2.92 2.86 0.00 0.00 6.97 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.32 4.31 0.00 2.95 2.87 0.00 0.00 7.03 6.28 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 10 L 8.12 4.01 0.00 1.68 1.72 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.09 3.93 0.00 1.76 1.82 0.93 0.85 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 12 R 8.55 4.22 0.00 2.03 1.97 0.00 3.19 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 13 A 8.05 3.98 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 14 I 8.05 3.69 2.02 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 1.53 0.67 0.92 0.00 0.00 15 E 8.55 3.94 0.00 2.19 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 2.33 2.49 0.00 16 A 8.26 4.09 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 Q 8.57 4.01 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 18 Q 8.30 4.07 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 19 H 8.19 4.12 0.00 3.45 3.30 0.00 5.68 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 20 L 8.03 3.97 0.00 1.79 1.86 0.94 0.46 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 21 L 8.33 4.02 0.00 1.88 1.73 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.44 4.05 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 23 L 8.18 4.09 0.00 1.92 1.77 0.91 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.16 4.03 4.31 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 1.30 0.00 0.00 25 V 8.25 3.73 2.32 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 1.09 0.00 0.00 1.02 0.00 0.00 26 W 8.68 4.24 0.00 3.52 3.36 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 27 G 8.61 3.62 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 0.00 0.00 0.00 0.00 28 I 8.00 3.58 2.07 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.93 0.38 0.00 0.00 29 K 8.00 4.10 0.00 1.71 1.64 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.26 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.65 1.61 7.81 30 Q 7.13 3.65 0.00 1.75 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 1.16 1.17 0.00 31 L 7.43 4.04 0.00 1.63 1.62 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.88 4.26 0.00 1.96 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 1.94 1.72 0.00 33 A 7.37 4.07 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 *39 G 8.40 3.78 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 0.00 0.00 0.00 40 G 8.72 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.02 4.82 0.00 3.41 3.29 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 0.00 0.00 0.00 0.00 42 M 8.10 4.22 0.00 2.02 2.08 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 2.61 2.18 0.00 43 E 8.27 4.26 0.00 2.14 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 2.44 2.52 0.00 44 W 8.42 4.25 0.00 3.65 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.99 4.33 0.00 3.07 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 46 R 8.17 3.87 0.00 2.03 2.12 0.00 3.09 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 47 E 8.35 3.97 0.00 2.12 2.09 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 2.51 2.58 0.00 48 I 7.78 3.48 1.48 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 -0.36 0.64 0.00 0.00 49 N 8.34 4.26 0.00 2.85 2.82 0.00 0.00 7.09 6.46 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 50 N 8.26 4.19 0.00 2.48 2.54 0.00 0.00 7.09 8.34 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 51 Y 8.08 3.93 0.00 3.12 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 52 T 8.28 3.78 4.29 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 0.00 0.00 0.00 1.06 0.00 0.00 53 S 8.18 4.05 0.00 3.98 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 54 L 8.04 3.89 0.00 1.73 1.83 0.89 1.24 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 55 I 8.15 3.74 1.90 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 1.54 1.33 1.02 0.00 0.00 56 H 8.38 4.26 0.00 3.37 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.27 4.13 0.00 4.05 4.21 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 0.00 0.00 0.00 0.00 58 L 8.07 4.00 0.00 1.89 1.77 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.18 3.71 2.01 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 1.53 0.66 0.91 0.00 0.00 60 E 8.43 4.28 0.00 2.16 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 2.33 2.05 0.00 61 E 8.21 3.92 0.00 2.01 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 0.00 2.33 2.36 0.00 62 S 8.05 4.27 0.00 4.00 3.91 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 63 Q 8.53 4.14 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 64 N 8.10 4.60 0.00 2.72 2.85 0.00 0.00 7.13 7.18 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 * Residues marked with a * may have inaccurate shift predictions.