NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4299 8.1627 118.1914 54.5132 33.4029 176.5432 2 Q 3.7268 8.1102 121.9725 59.3425 28.8664 176.8244 3 L 3.9989 7.9742 119.7478 57.5253 42.2803 178.9236 4 V 3.6072 7.5993 117.9006 65.8547 31.2646 177.9832 5 L 4.0435 7.6380 117.6787 57.3697 41.7568 179.0037 6 A 3.8303 7.5288 120.6338 55.1054 18.4774 179.5028 7 A 4.1160 8.3140 118.8282 54.2667 18.3220 179.6121 8 K 4.0422 7.6434 117.4485 59.5366 32.1166 178.4426 9 Y 4.2332 7.9857 116.7048 60.7067 37.8900 177.9805 10 I 3.8851 7.8733 120.5875 64.2783 36.9670 178.3401 11 G 3.7293 8.2859 106.4115 47.9432 0.0000 175.4952 12 A 4.1602 7.7914 121.9376 54.6173 18.5990 179.6588 13 G 3.6708 7.9433 104.5688 47.9126 0.0000 176.2094 14 I 3.8337 8.2362 122.4645 64.0928 37.2295 178.4711 15 S 4.3539 7.8722 115.1967 61.0501 62.5082 176.1521 16 T 4.2090 7.7628 118.0324 65.5503 68.4264 176.6936 17 I 3.9283 7.5641 120.9623 63.8305 36.9247 178.3116 18 G 3.7279 7.7764 105.6946 47.2918 0.0000 175.4626 19 L 4.1647 7.8132 120.8419 56.7856 41.4911 178.7511 20 L 4.1022 7.8840 120.8730 58.2018 41.9379 179.2748 21 G 3.5730 7.9785 105.4145 47.7475 0.0000 175.7106 22 A 4.2089 8.0356 123.0324 54.4835 18.4167 179.8584 23 G 3.5449 8.5886 104.8596 48.1767 0.0000 176.1340 24 I 3.8678 7.7158 122.7330 63.6613 36.9383 178.5675 25 G 3.7750 8.1938 106.7071 48.0213 0.0000 175.5474 26 I 3.9710 7.8524 122.3044 64.0358 37.2161 178.0899 27 A 4.0698 7.5774 120.9241 55.5048 18.2367 179.5386 28 I 3.6641 7.7816 118.0284 64.6684 37.3429 178.8718 29 V 3.5620 7.6176 118.8009 66.2037 31.5016 178.1939 30 F 3.9324 8.5434 117.2721 60.0771 38.6555 177.6676 31 A 3.9875 8.6969 120.9059 55.2454 18.3013 179.6258 32 A 4.0193 7.9874 118.8792 54.6537 18.1784 179.7264 33 L 3.7762 7.6076 119.3492 58.2241 42.0402 179.1170 34 I 3.7501 7.6738 112.9010 63.8114 37.4224 177.9714 35 N 4.4392 8.0552 117.9346 56.0959 38.6667 177.3556 36 G 3.6730 8.2247 107.1731 47.1975 0.0000 175.1542 37 V 4.0323 7.4509 118.6603 63.7611 31.5783 177.0641 38 S 4.3667 7.5006 113.0884 60.1595 62.8744 174.9662 39 R 4.4225 7.1413 119.6839 54.6158 32.3144 176.4299 40 N 4.3098 7.7941 115.9888 51.9633 38.1490 171.9585 41 P 4.7585 0.0000 0.0000 63.1687 30.1749 176.2593 42 S 4.5849 7.6830 113.4557 58.4747 61.5928 175.6622 43 I 3.5534 7.3624 121.7166 65.5542 38.4221 175.0226 44 K 4.2593 7.7178 123.3653 56.8839 33.3273 176.0474 45 D 4.4964 8.9542 124.7079 54.7400 41.5321 173.1024 46 T 3.6894 8.5404 122.1879 64.7701 67.1984 173.5704 47 V 4.0919 7.1144 117.2548 64.8113 32.7183 177.2446 48 F 4.0750 7.4868 117.5163 61.2922 38.7970 175.4263 49 P 4.3809 0.0000 0.0000 65.2571 31.0414 177.7132 50 M 4.0952 8.5618 116.8311 56.5370 32.2236 178.2416 51 A 3.8378 7.8929 121.5006 54.3843 18.6727 178.7614 52 I 4.4938 7.6798 115.8292 61.8782 38.0239 177.5594 53 L 4.1908 7.5381 122.3043 57.8614 41.7002 178.8918 54 G 3.6316 8.4884 106.3484 47.5116 0.0000 175.6215 55 F 4.3151 8.2262 122.6574 60.9778 39.5713 177.1086 56 A 3.4223 7.8868 119.9694 55.0947 18.0611 179.5821 57 L 4.0290 7.5498 114.8442 56.8279 41.6477 178.5487 58 S 4.4994 7.5719 112.2474 58.8964 63.0357 174.5310 59 E 3.9950 7.8874 120.4161 56.9036 29.2993 177.3239 60 A 3.9434 7.6994 120.0736 55.2112 18.0276 179.7867 61 T 4.0281 7.4965 114.8191 66.8446 68.5460 177.0845 62 G 3.6228 7.8981 107.1349 47.7982 0.0000 175.5616 63 L 4.0598 7.9418 121.2747 57.2625 41.4687 178.9649 64 F 4.8041 7.7357 115.6161 59.2169 39.4117 176.2430 65 C 4.5052 7.7026 118.1438 61.0079 32.1941 175.0792 66 L 4.2830 8.4117 122.1402 57.7758 41.6188 178.5836 67 M 4.1040 7.8424 118.0503 58.6623 32.0908 178.3401 68 V 3.7048 7.8781 118.2463 65.6879 31.5304 178.0280 69 S 4.1857 7.6535 112.4170 61.4049 63.2234 176.2821 70 F 4.0479 8.4658 120.2576 59.5033 38.8384 177.2490 71 L 4.2415 8.2401 120.6915 57.8706 41.6302 178.0176 72 L 4.6812 7.4491 116.3698 52.8661 42.1381 176.5606 73 L 4.2680 7.9855 123.1984 55.9289 41.7192 177.0115 *74 F 4.4330 9.3277 114.4944 56.8244 38.6392 176.3807 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 8.16 4.43 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 2 Q 8.11 3.73 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 3 L 7.97 4.00 0.00 1.71 1.67 0.91 0.82 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 4 V 7.60 3.61 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 1.07 0.00 0.00 0.92 0.00 0.00 5 L 7.64 4.04 0.00 1.70 1.42 0.88 0.66 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 6 A 7.53 3.83 1.25 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 0.00 0.00 0.00 7 A 8.31 4.12 1.35 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 8 K 7.64 4.04 0.00 2.27 2.19 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.76 1.54 7.81 9 Y 7.99 4.23 0.00 3.09 2.94 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 10 I 7.87 3.89 1.90 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 1.60 0.71 0.93 0.00 0.00 11 G 8.29 3.73 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 0.00 0.00 0.00 12 A 7.79 4.16 1.29 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 0.00 0.00 13 G 7.94 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 3.83 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 1.71 1.40 0.92 0.00 0.00 15 S 7.87 4.35 0.00 4.06 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 16 T 7.76 4.21 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 1.23 0.00 0.00 17 I 7.56 3.93 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 1.46 0.90 0.92 0.00 0.00 18 G 7.78 3.73 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 0.00 0.00 0.00 19 L 7.81 4.16 0.00 1.78 1.75 0.96 0.58 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 20 L 7.88 4.10 0.00 1.86 1.79 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.98 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.04 4.21 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 23 G 8.59 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.72 3.87 2.02 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 1.47 0.56 0.93 0.00 0.00 25 G 8.19 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 26 I 7.85 3.97 1.98 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.31 1.13 0.00 0.00 27 A 7.58 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 3.66 2.05 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 1.43 0.94 0.93 0.00 0.00 29 V 7.62 3.56 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 0.94 0.00 0.00 1.04 0.00 0.00 30 F 8.54 3.93 0.00 3.31 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 31 A 8.70 3.99 1.39 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 0.00 0.00 0.00 32 A 7.99 4.02 1.31 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 0.00 0.00 0.00 33 L 7.61 3.78 0.00 1.61 1.63 0.53 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.67 3.75 1.86 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 1.85 0.89 0.91 0.00 0.00 35 N 8.06 4.44 0.00 2.83 2.90 0.00 0.00 6.99 7.81 0.00 0.00 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 8.22 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.45 4.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.86 0.00 0.00 38 S 7.50 4.37 0.00 3.95 3.88 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 0.00 0.00 0.00 39 R 7.14 4.42 0.00 1.93 1.92 0.00 3.27 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 40 N 7.79 4.31 0.00 2.88 2.89 0.00 0.00 6.98 8.81 0.00 0.00 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 P 0.00 4.76 0.00 2.21 2.25 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 42 S 7.68 4.58 0.00 4.03 4.12 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 43 I 7.36 3.55 1.90 0.00 0.00 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 1.24 1.30 1.01 0.00 0.00 44 K 7.72 4.26 0.00 1.77 1.71 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.42 1.49 7.81 45 D 8.95 4.50 0.00 2.86 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.54 3.69 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 1.21 0.00 0.00 47 V 7.11 4.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.95 0.00 0.00 48 F 7.49 4.08 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 49 P 0.00 4.38 0.00 2.22 2.11 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 50 M 8.56 4.10 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 51 A 7.89 3.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.68 4.49 2.00 0.00 0.00 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 1.64 1.31 1.18 0.00 0.00 53 L 7.54 4.19 0.00 1.83 1.68 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.49 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.23 4.32 0.00 3.36 3.31 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 0.00 56 A 7.89 3.42 1.35 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 57 L 7.55 4.03 0.00 1.61 1.73 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.57 4.50 0.00 3.97 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.89 3.99 0.00 1.64 1.46 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 2.20 2.31 0.00 60 A 7.70 3.94 1.30 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 0.00 0.00 61 T 7.50 4.03 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 1.25 0.00 0.00 62 G 7.90 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 63 L 7.94 4.06 0.00 1.47 1.52 0.77 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.74 4.80 0.00 3.18 2.98 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 65 C 7.70 4.51 0.00 3.34 3.05 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 0.00 0.00 0.00 66 L 8.41 4.28 0.00 2.01 1.66 1.10 0.59 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 67 M 7.84 4.10 0.00 2.29 2.40 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 68 V 7.88 3.70 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 1.06 0.00 0.00 1.04 0.00 0.00 69 S 7.65 4.19 0.00 4.28 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.47 4.05 0.00 3.17 3.19 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 0.00 0.00 0.00 0.00 71 L 8.24 4.24 0.00 2.09 1.70 1.03 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.45 4.68 0.00 1.75 1.84 0.97 1.36 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 73 L 7.99 4.27 0.00 1.45 1.08 0.52 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *74 F 9.33 4.43 0.00 2.09 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.