NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5613 8.3493 119.5444 53.1304 41.0880 178.3507 4 H 4.2728 8.9311 108.7155 55.2628 29.9818 169.6605 5 V 4.4594 8.5710 120.9483 61.3630 35.5238 174.8894 6 Y 5.1543 8.7907 123.9850 56.0666 41.1812 174.6660 7 K 4.4066 8.2201 123.5208 54.5884 35.0630 174.9685 8 I 5.2670 8.0554 126.3111 58.9977 39.2848 175.2084 9 V 4.4575 8.4760 120.3589 59.6522 34.5582 174.4241 10 E 5.0415 8.6596 124.3796 54.8887 30.8489 174.9950 11 L 4.9608 9.0071 126.1393 53.1274 46.5265 175.3049 12 T 4.9517 8.5131 115.3950 60.4420 69.6271 173.4321 13 G 4.1603 8.8622 116.2886 45.1490 0.0000 172.1807 14 S 5.4843 8.2191 115.2848 56.6236 65.7974 173.0677 15 S 4.8147 8.6498 117.6480 56.9651 65.8612 173.6970 16 P 4.8710 0.0000 0.0000 63.4367 31.6249 176.3351 17 N 4.7202 9.6647 116.8030 52.5000 40.1826 175.3450 18 G 2.9628 7.1266 103.0016 44.4994 0.0000 172.3929 19 I 3.5624 7.1439 119.4853 64.5675 37.1361 178.0946 20 E 3.9313 7.9985 118.8104 59.5515 29.3650 179.3779 21 E 3.8684 7.9670 117.6950 59.2277 29.7112 178.7396 22 A 4.2673 7.9062 120.8145 55.6093 18.3337 180.2160 23 V 3.4890 7.7609 110.6308 64.4097 31.5383 178.4368 24 N 4.1760 8.1783 116.3421 56.4480 38.3258 176.9798 25 N 4.2303 8.3739 117.6556 56.3729 38.7104 177.3068 26 A 3.9288 7.6744 121.4798 55.2569 18.4699 179.8306 27 I 3.6008 8.0097 118.4778 64.0575 37.1843 178.3204 28 A 3.9372 8.5342 122.0688 55.5461 16.7115 180.0255 29 R 3.8711 8.1816 116.0249 59.1570 30.0332 179.2879 30 A 4.2378 7.9996 120.9329 54.8799 18.1452 179.8628 31 G 3.5471 7.9418 103.4791 47.8389 0.0000 175.2958 32 E 4.0570 7.7726 119.5798 59.1850 29.5859 178.5080 33 T 4.2778 7.1272 109.1522 61.6447 68.5655 174.1030 34 L 4.4827 7.7695 119.9032 52.6194 44.0249 175.4541 35 R 4.4655 7.3341 114.6587 55.9866 32.6245 174.2545 36 H 4.0989 8.6693 114.1978 56.9070 25.3049 175.4075 37 L 4.4954 8.0218 118.8644 55.4531 42.2143 176.6190 38 R 4.8335 9.1955 122.7778 57.1279 31.7358 176.3602 39 W 5.5764 7.7868 113.9379 55.0569 32.1038 172.7969 40 F 5.3809 8.4646 114.3310 55.5036 41.2302 173.3440 41 E 4.6199 9.3201 119.6868 54.4031 33.0276 174.3469 42 V 4.2876 8.7317 127.5989 63.0877 31.6017 175.8663 43 V 4.1465 8.6133 127.9587 62.7407 32.8261 175.8932 44 D 4.5205 7.3281 117.8790 53.9437 44.3140 174.7577 45 T 5.1573 8.8485 121.6922 62.1177 71.5199 173.2197 46 R 4.7577 9.1559 124.9947 55.1721 34.9754 173.9709 47 G 4.0546 8.1667 103.9083 46.3835 0.0000 172.4379 48 H 4.9133 8.5626 121.0719 54.5455 32.0118 173.6590 49 I 4.8072 7.8126 125.1854 59.4287 39.4530 174.6697 50 E 4.5687 9.3939 128.1759 55.1786 33.2565 174.7035 51 G 3.8967 8.5727 114.4826 47.2847 0.0000 174.6845 52 G 4.1967 8.7105 109.6070 44.5483 0.0000 172.2830 53 R 4.5846 7.7504 114.3486 53.4484 32.7025 174.4005 54 V 3.9055 8.2622 119.9044 63.0608 31.3625 175.2234 55 N 4.8447 8.6809 124.3763 53.3275 39.8900 174.2339 56 H 5.3397 7.6961 116.5821 53.8967 33.2227 172.2458 57 W 4.7833 9.6540 124.4218 55.9252 30.9266 175.4774 58 Q 4.6819 9.5959 124.1584 54.3406 31.2688 174.5512 59 V 4.7651 8.7158 125.4988 61.3542 33.6863 174.3075 60 T 5.1631 8.7465 123.5236 60.9052 69.3382 173.7211 61 V 4.9757 9.0653 126.5881 60.2129 35.5699 173.6673 62 K 4.9507 9.5017 122.6643 54.8903 34.4178 175.2261 63 V 4.5087 8.8933 125.8752 61.0114 33.9346 174.3407 64 G 3.0967 8.3568 115.8399 44.1000 0.0000 172.4775 65 F 5.6768 8.4337 118.9626 55.2514 41.9299 173.9172 66 T 4.3154 8.8462 118.5465 63.7069 68.8744 174.0134 67 L 4.1797 8.3767 127.5043 54.8024 42.1906 174.4638 68 E 4.1750 9.2472 120.5548 56.8020 32.1889 176.1504 *69 G 3.7113 8.3718 111.6184 45.0516 0.0000 172.4369 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 D 8.35 4.56 0.00 2.71 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 0.00 0.00 0.00 0.00 4 H 8.93 4.27 0.00 2.81 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.57 4.46 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 0.99 0.00 0.00 0.90 0.00 0.00 6 Y 8.79 5.15 0.00 2.96 2.92 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 0.00 0.00 0.00 0.00 7 K 8.22 4.41 0.00 1.37 0.74 0.00 1.55 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.22 1.27 7.81 8 I 8.06 5.27 1.85 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.31 0.87 0.00 0.00 9 V 8.48 4.46 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 0.93 0.00 0.00 1.05 0.00 0.00 10 E 8.66 5.04 0.00 1.99 1.86 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 2.23 2.34 0.00 11 L 9.01 4.96 0.00 1.55 1.46 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.51 4.95 4.26 0.00 0.00 0.00 0.00 0.00 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 13 G 8.86 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.22 5.48 0.00 3.85 3.71 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 15 S 8.65 4.81 0.00 3.96 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 16 P 0.00 4.87 0.00 2.27 2.25 0.00 3.46 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 17 N 9.66 4.72 0.00 2.67 2.86 0.00 0.00 6.82 7.54 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 18 G 7.13 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.14 3.56 1.68 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.13 0.89 0.00 0.00 20 E 8.00 3.93 0.00 1.97 1.96 0.00 0.00 0.00 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 2.45 0.00 21 E 7.97 3.87 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 22 A 7.91 4.27 1.54 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 23 V 7.76 3.49 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.39 0.00 0.00 24 N 8.18 4.18 0.00 2.92 2.82 0.00 0.00 7.02 6.43 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 25 N 8.37 4.23 0.00 2.89 2.85 0.00 0.00 6.94 7.97 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 26 A 7.67 3.93 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 27 I 8.01 3.60 1.80 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 0.84 0.00 0.00 28 A 8.53 3.94 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 29 R 8.18 3.87 0.00 1.94 1.95 0.00 3.26 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 30 A 8.00 4.24 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 31 G 7.94 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.77 4.06 0.00 2.07 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 2.31 2.44 0.00 33 T 7.13 4.28 4.18 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 0.00 0.00 0.00 1.21 0.00 0.00 34 L 7.77 4.48 0.00 1.28 0.90 0.68 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.33 4.47 0.00 1.58 1.72 0.00 3.09 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.81 0.00 36 H 8.67 4.10 0.00 3.62 3.58 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.02 4.50 0.00 1.68 1.67 0.89 0.79 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 38 R 9.20 4.83 0.00 2.13 2.32 0.00 3.49 0.00 0.00 3.46 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 39 W 7.79 5.58 0.00 3.27 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 40 F 8.46 5.38 0.00 3.07 2.97 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 41 E 9.32 4.62 0.00 2.12 1.86 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 2.25 2.27 0.00 42 V 8.73 4.29 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 0.93 0.00 0.00 1.15 0.00 0.00 43 V 8.61 4.15 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 0.78 0.00 0.00 1.02 0.00 0.00 44 D 7.33 4.52 0.00 2.81 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.85 5.16 4.35 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 1.44 0.00 0.00 46 R 9.16 4.76 0.00 1.67 1.81 0.00 3.31 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 47 G 8.17 4.05 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 0.00 0.00 0.00 48 H 8.56 4.91 0.00 3.21 3.29 0.00 5.55 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.81 4.81 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.60 0.83 0.00 0.00 50 E 9.39 4.57 0.00 2.13 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 51 G 8.57 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 0.00 0.00 0.00 52 G 8.71 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.75 4.58 0.00 1.95 1.96 0.00 2.77 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.81 0.00 54 V 8.26 3.91 1.78 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 -0.22 0.00 0.00 0.55 0.00 0.00 55 N 8.68 4.84 0.00 2.68 2.96 0.00 0.00 6.28 8.04 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 56 H 7.70 5.34 0.00 3.10 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 9.65 4.78 0.00 3.39 3.23 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 58 Q 9.60 4.68 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 59 V 8.72 4.77 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 0.98 0.00 0.00 1.07 0.00 0.00 60 T 8.75 5.16 4.26 0.00 0.00 0.00 0.00 0.00 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 61 V 9.07 4.98 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 0.63 0.00 0.00 1.06 0.00 0.00 62 K 9.50 4.95 0.00 1.72 1.76 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.39 7.81 63 V 8.89 4.51 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 0.94 0.00 0.00 0.91 0.00 0.00 64 G 8.36 3.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.43 5.68 0.00 3.27 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 66 T 8.85 4.32 4.28 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 0.98 0.00 0.00 67 L 8.38 4.18 0.00 1.58 1.58 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.25 4.18 0.00 2.02 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 2.13 2.34 0.00 *69 G 8.37 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.