NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6049 8.3649 119.5517 52.7100 40.9393 175.2036 4 H 4.0510 8.7459 116.0975 57.1597 29.4046 169.0984 5 V 4.4750 8.7479 123.6316 61.2819 35.1522 173.4386 6 Y 5.1724 8.8088 123.9252 56.0514 41.3460 174.6371 7 K 4.4468 8.2098 122.9662 54.5629 35.1691 174.7256 8 I 4.7739 8.1876 126.8425 59.6658 39.1594 175.2418 9 V 4.5322 8.6294 120.2881 59.4800 34.9767 174.2445 10 E 4.9948 8.6983 124.3765 54.8355 30.9123 174.9948 11 L 4.9469 9.0831 126.3562 53.1189 46.4318 175.4002 12 T 4.9380 8.5090 115.6749 60.4291 69.6766 173.4070 13 G 4.1265 8.7944 116.5255 45.2648 0.0000 172.0769 14 S 5.5371 8.2609 115.6134 56.5972 65.6802 173.1149 15 S 4.8215 8.7440 118.2046 56.9584 65.8029 173.6312 16 P 4.8828 0.0000 0.0000 63.6400 31.8083 176.5799 17 N 4.6416 9.1371 117.1295 53.1303 39.7311 175.4078 18 G 2.8227 7.0934 103.0644 44.8680 0.0000 172.1424 19 I 3.5991 7.1384 119.2295 64.6334 37.1848 178.2356 20 E 3.9630 7.9376 118.8479 59.3366 29.2489 179.2509 21 E 3.8939 7.9870 117.9727 59.2263 29.6535 178.7618 22 A 4.0057 8.0717 120.9045 55.6020 18.3828 180.1938 23 V 3.5495 7.8338 110.5855 64.2840 31.5806 178.5856 24 N 4.2072 8.1591 116.4273 56.3269 38.3686 177.1268 25 N 4.3093 8.3355 117.7045 56.1989 38.7415 177.3376 26 A 3.9594 7.7685 121.7187 55.2486 18.4752 179.8329 27 I 3.6106 7.8918 118.2455 64.0464 37.2463 178.2714 28 A 3.9420 8.4375 122.0555 55.5849 17.0688 180.0825 29 R 3.8818 8.0749 115.7769 59.0635 30.0407 179.2341 30 A 4.3125 7.9542 120.7717 54.8330 18.1549 179.9069 31 G 3.6161 7.8869 103.6034 47.6614 0.0000 175.5031 32 E 4.0564 7.8225 119.7830 59.2751 29.5850 178.4509 33 T 4.2538 7.1437 110.8967 61.7793 68.4196 174.1015 34 L 4.4728 7.7795 119.9099 52.6241 44.0734 175.4008 35 R 4.4479 7.2784 114.4912 56.0155 32.6843 174.1920 36 H 4.0798 8.6132 113.8889 56.9376 25.4651 175.3945 37 L 4.5254 7.9582 118.7060 55.3426 42.4009 176.5729 38 R 4.8686 9.1665 122.2298 57.1135 31.9686 176.2167 39 W 5.5993 7.8990 113.9938 55.0057 32.0518 173.0366 40 F 5.3793 8.4920 114.2491 55.3927 41.1022 173.3225 41 E 4.6348 9.4120 120.5166 54.2941 32.9751 174.6477 42 V 4.3482 8.6904 127.3658 63.0569 31.6029 175.9283 43 V 4.1001 8.6299 127.9887 62.4961 32.6431 175.9166 44 D 4.6212 7.2022 119.9438 54.1509 44.2317 174.8473 45 T 5.1315 8.8146 121.7557 62.1234 71.4676 173.2240 46 R 4.7402 9.2001 125.0700 55.2343 34.9076 173.9505 47 G 4.0923 8.0731 104.7963 44.4845 0.0000 172.2748 48 H 4.9203 8.3526 120.3808 54.5537 31.9408 173.5886 49 I 4.8381 7.8314 125.3099 59.4164 39.3558 174.6465 50 E 4.5732 9.2702 127.7946 55.1546 33.2458 174.9312 51 G 3.7646 8.5267 114.1424 47.3323 0.0000 174.6518 52 G 4.1857 8.7068 109.4416 44.7260 0.0000 172.3684 53 R 4.6140 7.7817 114.7203 53.3255 32.6339 174.5218 54 V 3.8449 8.2810 119.8910 63.0880 31.9323 175.2693 55 N 4.8907 8.7971 123.8669 53.2627 39.8942 174.1434 56 H 5.0555 7.7034 116.6880 54.0177 33.3825 172.1089 57 W 4.8339 9.7654 123.9470 55.6102 30.6844 175.4084 58 Q 4.8037 9.3363 123.9684 54.3501 31.1358 174.5293 59 V 4.6900 8.6353 125.4473 61.3268 33.7060 174.4691 60 T 5.0723 8.7735 123.5959 61.2514 69.1848 173.7489 61 V 5.0263 9.1012 126.4287 60.2885 35.5529 173.4869 62 K 4.9568 9.4599 123.0333 54.8562 34.4796 175.2220 63 V 4.5453 8.8018 125.6997 60.9899 33.9218 174.3209 64 G 3.1057 8.2803 115.9789 44.1151 0.0000 172.4576 65 F 5.6550 8.3890 118.5951 55.2315 41.8751 173.9399 66 T 4.1058 8.8464 118.3924 63.6729 68.9733 173.9275 67 L 4.2550 8.3324 126.9711 54.4715 42.3520 174.3983 68 E 4.1358 9.2285 121.1140 56.8233 32.0760 176.1578 *69 G 3.7113 8.3299 111.7866 45.0423 0.0000 172.4195 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 8.36 4.60 0.00 2.71 2.40 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 0.00 4 H 8.75 4.05 0.00 3.08 2.60 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.75 4.48 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 1.01 0.00 0.00 0.96 0.00 0.00 6 Y 8.81 5.17 0.00 2.97 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 7 K 8.21 4.45 0.00 1.39 0.74 0.00 1.55 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.18 1.26 7.81 8 I 8.19 4.77 1.85 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 1.10 0.74 0.86 0.00 0.00 9 V 8.63 4.53 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 0.89 0.00 0.00 1.09 0.00 0.00 10 E 8.70 4.99 0.00 1.98 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 9.08 4.95 0.00 1.54 1.46 0.88 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.51 4.94 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 13 G 8.79 4.13 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 0.00 14 S 8.26 5.54 0.00 3.85 3.72 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 0.00 0.00 0.00 15 S 8.74 4.82 0.00 3.95 3.74 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 16 P 0.00 4.88 0.00 2.27 2.18 0.00 3.47 0.00 0.00 4.39 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 9.14 4.64 0.00 2.68 2.86 0.00 0.00 6.80 7.32 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 18 G 7.09 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.14 3.60 1.69 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 1.67 0.40 0.91 0.00 0.00 20 E 7.94 3.96 0.00 1.98 1.95 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 2.38 2.45 0.00 21 E 7.99 3.89 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 2.35 2.39 0.00 22 A 8.07 4.01 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.55 1.74 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 0.77 0.00 0.00 0.37 0.00 0.00 24 N 8.16 4.21 0.00 2.93 2.81 0.00 0.00 6.95 6.32 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 25 N 8.34 4.31 0.00 2.89 2.84 0.00 0.00 6.91 6.75 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 26 A 7.77 3.96 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 27 I 7.89 3.61 1.70 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.51 0.84 0.00 0.00 28 A 8.44 3.94 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.07 3.88 0.00 1.96 1.95 0.00 3.26 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 30 A 7.95 4.31 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 7.89 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 32 E 7.82 4.06 0.00 2.09 1.98 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 2.31 2.43 0.00 33 T 7.14 4.25 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 1.23 0.00 0.00 34 L 7.78 4.47 0.00 1.27 0.83 0.67 0.61 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 7.28 4.45 0.00 1.59 1.71 0.00 3.10 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.84 0.00 36 H 8.61 4.08 0.00 3.59 3.54 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.96 4.53 0.00 1.68 1.67 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.17 4.87 0.00 2.18 2.33 0.00 3.52 0.00 0.00 3.48 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 39 W 7.90 5.60 0.00 3.30 3.21 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 40 F 8.49 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 9.41 4.63 0.00 2.10 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 0.00 2.25 2.25 0.00 42 V 8.69 4.35 2.19 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 0.93 0.00 0.00 1.15 0.00 0.00 43 V 8.63 4.10 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 0.77 0.00 0.00 0.96 0.00 0.00 44 D 7.20 4.62 0.00 2.84 2.55 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 45 T 8.81 5.13 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 1.46 0.00 0.00 46 R 9.20 4.74 0.00 1.68 1.80 0.00 3.29 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 47 G 8.07 4.09 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 0.00 0.00 0.00 48 H 8.35 4.92 0.00 3.22 3.30 0.00 5.54 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.83 4.84 1.73 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 1.06 0.60 0.84 0.00 0.00 50 E 9.27 4.57 0.00 2.14 1.71 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 2.19 2.26 0.00 51 G 8.53 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 0.00 0.00 0.00 52 G 8.71 4.19 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 0.00 0.00 0.00 53 R 7.78 4.61 0.00 1.94 1.97 0.00 2.78 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 1.80 0.00 54 V 8.28 3.84 1.85 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 -0.23 0.00 0.00 0.56 0.00 0.00 55 N 8.80 4.89 0.00 2.68 2.96 0.00 0.00 6.31 7.32 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 56 H 7.70 5.06 0.00 3.09 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 9.77 4.83 0.00 3.41 3.24 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 0.00 0.00 0.00 58 Q 9.34 4.80 0.00 1.98 2.03 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 2.27 2.30 0.00 59 V 8.64 4.69 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 1.04 0.00 0.00 1.03 0.00 0.00 60 T 8.77 5.07 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 9.10 5.03 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 0.81 0.00 0.00 1.08 0.00 0.00 62 K 9.46 4.96 0.00 1.71 1.74 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.38 7.81 63 V 8.80 4.55 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 0.93 0.00 0.00 0.90 0.00 0.00 64 G 8.28 3.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.39 5.66 0.00 3.33 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 T 8.85 4.11 4.19 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 0.74 0.00 0.00 67 L 8.33 4.26 0.00 1.60 1.57 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.23 4.14 0.00 2.01 1.77 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 2.08 2.29 0.00 *69 G 8.33 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.