NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6255 8.5298 119.7453 55.5222 33.5680 174.2220 2 N 4.9840 8.1564 122.0071 49.7201 40.8858 173.1119 3 K 3.8278 9.6484 117.9476 60.2564 32.8459 180.5611 4 S 4.1096 8.0224 114.3810 61.8094 62.6596 176.7082 5 Q 4.0059 7.8500 120.1773 58.7808 28.3120 178.6416 6 L 4.0660 8.0620 121.4719 57.9420 42.0865 178.8769 7 I 3.6582 7.9811 120.0618 64.5031 37.0847 177.7384 8 D 4.3967 8.1256 119.5790 57.5986 40.7436 179.4517 9 K 3.9788 7.8123 118.7102 59.3534 31.8694 179.5250 10 I 3.6652 7.8198 112.1640 64.1246 37.6467 177.8500 11 A 4.1969 8.2702 122.6824 55.1398 18.0490 178.5981 12 A 4.2257 8.7555 120.6001 54.7831 18.1287 179.4659 13 G 4.0779 8.8790 103.1695 44.3159 0.0000 173.3173 14 A 4.2902 8.3313 124.2704 51.6808 24.5888 177.9084 15 D 4.7263 7.6988 112.1166 54.1248 40.6802 174.4804 *17 S 4.2330 8.0558 112.1529 58.2227 64.5865 174.4692 18 K 4.0125 8.3989 126.1142 59.2741 31.8557 179.6525 19 A 3.9317 7.9315 120.4100 55.0759 18.4563 179.1162 20 A 3.8979 8.0639 118.5891 55.5068 18.3642 179.5169 21 A 4.0398 7.9251 118.7224 55.1557 18.4204 180.1390 22 G 3.5044 7.8728 103.7104 48.1658 0.0000 176.2797 23 R 3.9702 8.3350 120.9554 58.5740 29.9035 179.1109 24 A 3.9598 8.0317 120.8466 55.1033 18.3356 179.4945 25 L 3.8608 8.1344 119.0391 58.1018 42.0713 178.9252 26 D 4.2646 8.1696 118.7152 57.4482 40.8029 178.6674 27 A 3.9838 8.4243 121.5419 55.0271 18.2730 179.7963 28 I 3.5930 7.8913 118.7242 64.5988 37.2324 178.7747 29 I 3.5878 7.9603 120.5831 64.1843 36.8716 178.2784 30 A 3.9591 8.5783 121.9952 55.3228 18.1176 179.8921 31 S 4.0164 8.2031 113.6893 61.6215 62.8886 177.1364 32 V 3.4543 7.6267 120.8689 66.1754 31.1918 177.9443 33 T 3.7866 7.6181 115.2812 66.8530 68.3095 176.1576 34 E 3.9327 8.3495 120.3803 59.4960 29.5149 179.3695 35 S 4.0712 8.2087 113.0555 61.6670 62.5093 176.4064 36 L 4.0941 8.3924 121.7992 57.4893 41.0721 179.4113 37 K 4.0750 8.3173 119.4406 58.8953 32.1703 177.7174 38 E 4.4298 7.7303 116.3662 55.8282 29.5360 176.7494 39 G 3.7862 7.9866 107.1116 45.9496 0.0000 172.8594 40 D 4.8946 7.8321 119.3820 51.7871 43.1558 175.5583 41 D 4.6766 8.7677 126.6591 54.6313 42.4994 175.9461 42 V 4.0980 9.1054 123.9152 61.9963 32.3076 174.4452 43 A 4.7173 8.5754 131.3719 50.8860 18.2982 175.3259 44 L 4.5623 8.8463 120.7376 52.8347 41.7079 175.4810 45 V 3.6004 8.0673 121.3330 62.6958 32.4106 176.2111 46 G 4.2884 9.1577 116.8689 46.1412 0.0000 175.0537 47 F 4.2919 7.9223 122.8223 57.4955 40.5065 176.8874 48 G 3.4433 7.4625 106.9788 45.8498 0.0000 170.3949 49 T 5.0697 6.6944 108.4412 59.9224 72.1792 173.0168 50 F 5.3724 9.5805 123.7859 56.5684 41.0378 174.8213 51 A 5.5265 9.1502 123.5045 50.7164 23.4335 174.5981 52 V 4.7383 8.3119 118.5186 61.4576 33.8053 175.5864 53 K 4.6226 8.9524 127.9771 55.4469 35.0898 174.7081 54 E 4.9125 8.3558 118.7422 56.3193 33.4489 174.8776 55 R 4.4279 8.5687 117.5332 57.2173 37.7400 175.6841 *74 A 4.1077 7.8070 119.5564 51.5741 19.4285 176.1694 75 K 4.6127 8.6483 122.0223 56.4440 33.4001 177.2221 76 V 4.6203 8.2532 124.5740 59.0174 34.4285 173.1421 77 P 5.1007 0.0000 0.0000 62.7550 32.2368 175.4841 78 S 4.9890 9.4221 117.3814 56.5524 67.1050 172.3730 79 F 5.0449 8.6787 121.5433 56.3638 42.4263 173.5291 80 R 4.2827 7.4783 125.7745 53.8780 32.0816 174.7166 81 A 3.8913 8.3766 128.6496 52.1615 19.3335 177.0041 82 G 3.8032 8.6029 109.0557 45.0094 0.0000 175.4161 83 K 4.0091 8.5952 118.2366 59.4683 32.1587 179.5981 84 A 4.1399 8.0248 120.4613 54.9706 18.2946 179.2728 85 L 3.8274 7.8147 118.5183 58.1837 42.0511 178.8612 86 K 3.8223 7.9396 117.6703 59.9264 32.1520 178.6175 87 D 4.4574 8.3074 117.5881 57.4113 40.9085 178.5749 88 A 4.3542 7.8423 119.4514 53.2713 18.8261 178.1368 89 V 4.0435 7.2180 116.5067 61.3046 31.4558 175.4158 90 N 4.5208 8.4388 121.4542 53.2839 38.4747 175.4016 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 8.53 4.63 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 2 N 8.16 4.98 0.00 2.93 2.90 0.00 0.00 6.24 5.92 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 3 K 9.65 3.83 0.00 1.81 1.91 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.55 7.81 4 S 8.02 4.11 0.00 3.86 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 5 Q 7.85 4.01 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 6 L 8.06 4.07 0.00 1.77 1.81 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.98 3.66 1.86 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 1.51 0.27 0.90 0.00 0.00 8 D 8.13 4.40 0.00 2.95 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 9 K 7.81 3.98 0.00 1.85 1.85 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.59 7.81 10 I 7.82 3.67 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.51 0.92 0.00 0.00 11 A 8.27 4.20 1.42 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 0.00 0.00 0.00 12 A 8.76 4.23 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 13 G 8.88 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.33 4.29 1.27 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 0.00 0.00 0.00 15 D 7.70 4.73 0.00 2.72 2.99 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 *17 S 8.06 4.23 0.00 3.90 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 18 K 8.40 4.01 0.00 1.83 1.83 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.50 7.81 19 A 7.93 3.93 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 20 A 8.06 3.90 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 21 A 7.93 4.04 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 22 G 7.87 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.33 3.97 0.00 1.84 1.98 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 24 A 8.03 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.86 0.00 1.73 1.64 0.88 1.23 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 26 D 8.17 4.26 0.00 2.87 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 27 A 8.42 3.98 1.34 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 0.00 0.00 0.00 28 I 7.89 3.59 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 0.82 0.00 0.00 29 I 7.96 3.59 1.92 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 1.36 0.99 0.85 0.00 0.00 30 A 8.58 3.96 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 31 S 8.20 4.02 0.00 3.83 3.90 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 0.00 0.00 0.00 32 V 7.63 3.45 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.70 0.00 0.00 33 T 7.62 3.79 4.37 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 1.19 0.00 0.00 34 E 8.35 3.93 0.00 2.12 2.00 0.00 0.00 0.00 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 2.53 0.00 35 S 8.21 4.07 0.00 3.96 4.03 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 36 L 8.39 4.09 0.00 1.82 1.74 1.04 0.83 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 37 K 8.32 4.08 0.00 1.77 2.10 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 38 E 7.73 4.43 0.00 2.10 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 2.48 2.46 0.00 39 G 7.99 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.83 4.89 0.00 2.68 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 41 D 8.77 4.68 0.00 2.71 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.11 4.10 2.36 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 1.01 0.00 0.00 0.98 0.00 0.00 43 A 8.58 4.72 1.27 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 0.00 0.00 0.00 44 L 8.85 4.56 0.00 2.08 1.79 1.14 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.07 3.60 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 0.73 0.00 0.00 0.95 0.00 0.00 46 G 9.16 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 0.00 0.00 0.00 0.00 47 F 7.92 4.29 0.00 3.17 3.13 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 48 G 7.46 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 49 T 6.69 5.07 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 1.10 0.00 0.00 50 F 9.58 5.37 0.00 3.16 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 51 A 9.15 5.53 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 52 V 8.31 4.74 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 0.94 0.00 0.00 1.02 0.00 0.00 53 K 8.95 4.62 0.00 1.90 1.76 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.46 7.81 54 E 8.36 4.91 0.00 1.79 1.81 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 0.00 2.21 2.27 0.00 55 R 8.57 4.43 0.00 1.95 1.91 0.00 3.20 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 *74 A 7.81 4.11 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 75 K 8.65 4.61 0.00 1.67 1.77 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.44 7.81 76 V 8.25 4.62 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 0.98 0.00 0.00 0.96 0.00 0.00 77 P 0.00 5.10 0.00 2.20 2.16 0.00 3.74 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 2.04 2.00 0.00 78 S 9.42 4.99 0.00 3.87 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 79 F 8.68 5.04 0.00 2.85 2.85 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 80 R 7.48 4.28 0.00 1.70 1.42 0.00 3.04 0.00 0.00 3.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.38 0.00 81 A 8.38 3.89 1.14 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 82 G 8.60 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.60 4.01 0.00 1.84 1.84 0.00 1.52 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.53 7.81 84 A 8.02 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.81 3.83 0.00 1.70 1.77 0.74 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.94 3.82 0.00 1.89 1.86 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.54 7.81 87 D 8.31 4.46 0.00 2.81 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 88 A 7.84 4.35 1.42 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 0.00 0.00 0.00 89 V 7.22 4.04 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 0.88 0.00 0.00 0.96 0.00 0.00 90 N 8.44 4.52 0.00 2.73 2.72 0.00 0.00 7.02 7.56 0.00 0.00 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.