NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2336 8.2649 123.5814 52.0889 18.7015 174.8016 2 D 4.3928 8.3507 120.3884 53.7475 41.2135 174.6535 3 Q 4.5692 9.1759 124.9300 53.9953 31.3778 175.4266 4 L 4.7173 8.5639 121.9275 54.3354 42.5304 177.7519 5 T 4.4201 8.4294 113.6549 60.5740 71.7583 175.4529 6 E 3.9669 8.6221 120.9316 59.4160 29.4132 178.5719 7 E 3.9397 8.0966 118.0695 59.5760 29.7799 178.7334 8 Q 3.9177 8.0517 118.0054 59.3122 28.8148 179.6271 9 I 4.0381 8.1694 120.2360 64.4593 37.1420 178.0581 10 A 4.0220 8.0397 121.5141 55.4028 18.1780 179.3330 11 E 3.8356 8.2996 116.9497 59.8541 29.5357 179.8406 12 F 4.5956 7.9125 117.5544 60.3811 38.9739 177.5966 13 K 4.0526 9.0022 119.7972 59.7455 32.0053 178.6585 14 E 3.9836 8.6662 118.9103 59.3909 29.1354 179.2469 15 A 4.1265 7.9858 119.9372 55.0179 18.6615 179.0244 16 F 2.9789 8.7396 119.5030 61.2886 39.4338 177.5239 17 S 3.7933 8.0836 114.5998 61.4173 62.3486 176.4746 18 L 3.8521 7.4216 120.6651 58.1157 41.4547 179.4668 19 F 4.0394 7.6721 116.4408 59.3179 40.5354 176.5734 20 D 4.4730 7.2766 119.6718 52.7961 37.6663 176.4209 21 K 3.9122 7.8032 123.5851 58.5662 32.9648 177.0886 22 D 4.4618 7.6620 116.2681 52.9816 39.8893 177.0232 23 G 3.8550 7.8023 107.7864 46.5943 0.0000 174.1581 24 D 4.4624 9.5824 118.7887 52.8621 39.8211 177.2301 25 G 4.1718 10.3420 108.4771 46.2294 0.0000 173.3077 26 T 4.9195 9.6867 110.0808 59.8020 71.4911 173.2370 27 I 4.7469 9.7775 127.8305 59.3284 39.4068 175.6456 28 T 4.8335 8.4185 117.6022 60.3647 71.7192 175.5075 29 T 3.9595 8.5333 111.2929 64.8698 68.8149 176.4086 30 K 3.9204 8.1072 121.4024 59.9720 31.9019 178.7922 31 E 4.0321 7.8268 119.9712 59.0285 29.3205 179.2512 32 L 4.5732 7.9875 119.0022 57.7098 41.6296 179.8875 33 G 3.5909 8.4377 105.9209 48.0369 0.0000 175.6222 34 T 3.8596 7.6350 117.3059 66.5709 68.7726 176.4287 35 V 3.5166 7.7305 119.5421 66.3487 31.5577 177.6901 36 M 4.1120 8.4192 118.4766 58.9579 31.9677 179.1953 37 R 4.3549 8.5805 119.5185 58.7428 29.9624 179.0711 38 S 4.1001 8.1531 113.2413 61.1592 62.4784 174.8640 39 L 4.1229 7.6879 117.3260 55.5834 41.5217 177.5201 40 G 3.9460 8.0883 107.3262 45.3205 0.0000 173.6615 41 Q 4.5224 8.0866 118.7777 55.0133 30.4830 174.9783 42 N 5.2688 8.1299 115.5234 51.1466 39.1272 172.5556 43 P 4.6732 0.0000 0.0000 62.4014 33.0681 177.9223 44 T 4.3706 8.2517 112.1525 60.7960 71.3820 175.9094 45 E 3.9307 8.6342 120.4035 59.6567 29.4791 179.5182 46 A 4.0087 7.9723 120.1818 55.2099 18.3837 179.4254 47 E 3.9592 8.1539 117.1693 59.4403 29.4975 179.5218 48 L 3.9891 8.2463 119.4006 57.7304 41.6256 179.2836 49 Q 3.9421 8.2572 119.5779 59.2481 28.9958 177.8755 50 D 4.2707 8.1362 118.9764 57.6325 41.0464 177.9836 51 M 4.0512 8.0684 118.3063 58.5351 32.2406 178.6367 52 I 3.8891 7.9634 119.8338 64.4821 37.0586 178.1610 53 N 4.3365 8.8328 117.7842 56.3806 38.1455 177.0483 54 E 3.9020 8.5628 119.9119 58.2139 29.7799 177.5061 55 V 4.2587 6.8887 108.9243 60.8891 33.4034 176.1378 56 D 4.5318 8.3623 120.3342 53.5800 39.0646 175.2827 57 A 4.1909 8.0807 127.0756 53.4193 19.1333 178.3918 58 D 4.4359 7.5061 112.3242 53.5589 40.0647 177.6811 59 G 3.9143 9.1169 108.6592 46.0464 0.0000 174.4438 60 N 4.3539 10.3184 118.8128 53.8493 37.5592 176.4286 61 G 3.9717 11.0398 107.5674 45.1620 0.0000 172.3516 62 T 4.8065 9.7182 108.4444 60.4245 72.4431 172.9693 63 I 5.1968 8.7637 122.0867 59.0516 40.2164 174.7906 64 D 5.1953 8.3626 124.2824 52.9330 42.6996 175.9231 65 F 2.6898 8.5761 116.3210 60.3357 39.5952 176.1241 66 P 3.4711 0.0000 0.0000 65.7454 30.9817 178.2033 67 E 3.8174 9.2371 119.0946 59.0915 29.3756 179.0579 68 F 4.0461 8.1020 120.6450 60.8517 39.4005 176.8796 69 L 3.8761 8.3249 120.4799 58.4217 41.9140 179.0234 70 T 3.6258 7.5363 115.4749 66.7138 68.1715 176.0144 71 M 3.7707 7.5405 118.5014 59.1315 32.5890 177.8861 72 M 3.8211 7.4273 118.3183 58.1105 30.7468 178.6439 73 A 3.6899 7.3353 120.8966 55.0410 18.2393 179.9121 74 R 3.9968 7.4869 115.7626 58.8197 30.0826 179.2288 75 K 4.0093 7.5177 120.2156 59.9050 32.3333 177.5494 *76 M 4.2964 7.1908 117.4512 54.6958 32.0917 176.7695 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 A 8.26 4.23 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 2 D 8.35 4.39 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.18 4.57 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.31 0.00 4 L 8.56 4.72 0.00 1.69 1.73 0.85 1.05 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 5 T 8.43 4.42 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 6 E 8.62 3.97 0.00 2.05 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 0.00 2.42 2.38 0.00 7 E 8.10 3.94 0.00 2.06 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 2.40 2.41 0.00 8 Q 8.05 3.92 0.00 2.44 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 9 I 8.17 4.04 2.17 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 1.60 1.06 1.17 0.00 0.00 10 A 8.04 4.02 1.41 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 0.00 0.00 0.00 11 E 8.30 3.84 0.00 1.77 1.69 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 0.00 2.24 2.42 0.00 12 F 7.91 4.60 0.00 3.50 3.38 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 13 K 9.00 4.05 0.00 1.84 1.96 0.00 1.25 0.00 0.00 1.15 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 0.86 7.81 14 E 8.67 3.98 0.00 2.18 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 2.54 2.47 0.00 15 A 7.99 4.13 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 0.00 0.00 0.00 0.00 0.00 16 F 8.74 2.98 0.00 2.76 3.22 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 17 S 8.08 3.79 0.00 4.01 3.81 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 0.00 0.00 0.00 18 L 7.42 3.85 0.00 1.82 1.52 0.82 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.67 4.04 0.00 2.77 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 20 D 7.28 4.47 0.00 2.12 2.31 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 21 K 7.80 3.91 0.00 1.67 1.77 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.37 7.81 22 D 7.66 4.46 0.00 2.67 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 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 0.00 0.00 0.00 24 D 9.58 4.46 0.00 2.74 2.80 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 25 G 10.34 4.17 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 0.00 0.00 0.00 26 T 9.69 4.92 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 1.33 0.00 0.00 27 I 9.78 4.75 2.13 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.13 0.99 0.00 0.00 28 T 8.42 4.83 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 29 T 8.53 3.96 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 30 K 8.11 3.92 0.00 2.02 2.14 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.56 7.81 31 E 7.83 4.03 0.00 2.24 2.24 0.00 0.00 0.00 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 2.37 0.00 32 L 7.99 4.57 0.00 1.92 1.85 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.44 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.64 3.86 4.40 0.00 0.00 0.00 0.00 0.00 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 35 V 7.73 3.52 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.32 0.00 0.00 36 M 8.42 4.11 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.91 0.00 37 R 8.58 4.35 0.00 2.05 1.98 0.00 3.31 0.00 0.00 3.37 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 38 S 8.15 4.10 0.00 3.83 3.95 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 39 L 7.69 4.12 0.00 1.83 1.74 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.09 3.95 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 0.00 41 Q 8.09 4.52 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 42 N 8.13 5.27 0.00 2.66 2.71 0.00 0.00 7.00 8.03 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 43 P 0.00 4.67 0.00 2.21 2.07 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 44 T 8.25 4.37 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 45 E 8.63 3.93 0.00 2.01 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 2.41 2.34 0.00 46 A 7.97 4.01 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 47 E 8.15 3.96 0.00 2.29 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 0.00 2.33 2.35 0.00 48 L 8.25 3.99 0.00 1.83 1.75 1.01 1.22 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 49 Q 8.26 3.94 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 50 D 8.14 4.27 0.00 2.84 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 51 M 8.07 4.05 0.00 2.00 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.88 0.00 52 I 7.96 3.89 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.86 0.96 0.00 0.00 53 N 8.83 4.34 0.00 2.91 2.86 0.00 0.00 6.71 8.32 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 54 E 8.56 3.90 0.00 1.98 2.07 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 2.28 2.32 0.00 55 V 6.89 4.26 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 0.61 0.00 0.00 0.97 0.00 0.00 56 D 8.36 4.53 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 4.19 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 58 D 7.51 4.44 0.00 2.83 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 59 G 9.12 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 0.00 0.00 0.00 60 N 10.32 4.35 0.00 2.87 3.01 0.00 0.00 7.06 7.05 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 61 G 11.04 3.97 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 0.00 0.00 0.00 62 T 9.72 4.81 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 63 I 8.76 5.20 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 0.94 2.14 1.07 0.00 0.00 64 D 8.36 5.20 0.00 2.76 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.58 2.69 0.00 2.11 2.70 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 66 P 0.00 3.47 0.00 2.02 1.85 0.00 3.62 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.87 0.00 67 E 9.24 3.82 0.00 2.13 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 2.26 2.45 0.00 68 F 8.10 4.05 0.00 3.41 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 69 L 8.32 3.88 0.00 1.60 1.51 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.54 3.63 4.22 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 1.09 0.00 0.00 71 M 7.54 3.77 0.00 1.74 1.91 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 72 M 7.43 3.82 0.00 1.50 1.37 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 73 A 7.34 3.69 1.13 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 0.00 0.00 74 R 7.49 4.00 0.00 1.88 1.92 0.00 3.06 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 75 K 7.52 4.01 0.00 1.86 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.49 7.81 *76 M 7.19 4.30 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 * Residues marked with a * may have inaccurate shift predictions.