NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2407 8.2601 123.5767 53.5474 19.9675 175.5379 5 A 4.2947 8.6066 121.0321 52.7514 20.9194 174.2301 6 D 4.4585 9.2849 119.1163 54.9853 39.7333 171.7748 7 T 4.7115 7.4400 105.3478 59.1809 72.0615 171.5981 8 P 4.4863 0.0000 0.0000 62.8368 31.9663 176.0376 9 T 4.6215 8.0898 109.4579 59.5372 71.2456 173.6462 10 A 4.3139 8.5989 127.4396 52.2268 19.2744 177.5407 11 C 4.9113 8.4465 118.6646 55.1844 44.1911 174.0850 12 C 4.8075 8.1694 119.5996 55.4431 41.4974 173.8483 13 F 4.5805 8.4149 120.3378 57.0161 40.5610 174.9741 14 S 4.3838 7.5431 113.3733 57.0478 65.5441 172.8148 15 Y 5.0697 7.9409 118.8426 56.0401 40.2197 175.8701 16 T 4.0403 8.8520 118.4184 62.9419 67.8878 173.8654 17 S 4.5902 8.6568 120.3301 58.7984 63.1908 174.0729 18 R 4.6113 7.2757 114.5747 53.6571 31.9057 174.9391 19 Q 2.5200 7.9739 120.8404 55.1404 29.3108 175.9868 20 I 3.6399 6.7515 126.5792 60.1513 38.0865 174.2173 21 P 4.0263 0.0000 0.0000 62.4855 31.9074 177.4655 22 Q 3.3783 8.4178 123.4763 58.5902 29.1200 177.0396 23 N 4.6922 7.8136 112.6997 53.6175 37.9776 175.7441 24 F 4.5118 8.3954 118.9627 59.8731 39.4665 175.6371 25 I 4.2679 7.5719 121.6337 61.0117 37.3443 175.3556 26 A 4.7114 8.6325 126.3985 52.3308 21.3390 175.0231 27 D 4.6844 7.9473 113.4637 54.9770 44.8647 173.7364 28 Y 5.4274 8.5148 116.1283 56.6827 40.3509 173.1642 29 F 4.6591 8.4663 114.5672 55.9112 41.9040 172.6464 30 E 4.9745 8.8041 119.0116 55.1906 30.9208 176.3183 31 T 4.4304 8.3088 113.7990 60.7066 70.2475 174.5074 32 S 4.1517 8.8773 117.3219 58.9913 62.7362 175.2497 33 S 4.4686 8.5089 118.8684 59.5636 63.1450 174.9749 34 Q 4.1788 7.8981 120.2820 58.0400 28.9051 175.8290 35 C 4.5241 7.6508 116.5666 56.1395 40.8069 173.7474 36 S 4.1229 8.8559 118.7964 60.6707 62.5000 174.8234 37 K 4.6418 7.4381 117.9017 53.5075 34.2054 174.0371 38 P 4.5044 0.0000 0.0000 62.5516 32.2789 176.1674 39 G 4.2671 8.2769 107.2854 44.7667 0.0000 171.4723 40 V 4.5574 8.5621 123.2159 60.7194 34.2780 174.2814 41 I 4.5510 7.8667 129.2335 59.7359 38.6572 174.9579 42 F 5.2357 8.9381 127.1502 56.7924 40.8942 174.6014 43 L 5.2754 8.8762 125.0407 53.7790 44.1166 176.4819 44 T 5.1001 8.8644 117.4094 60.0215 70.6934 175.8314 45 K 3.9953 8.6266 120.0467 59.3025 32.1638 178.4383 46 R 4.2282 7.8988 115.6180 55.9952 29.8992 176.5401 47 S 3.9630 8.1418 112.6389 59.3140 60.9531 170.9623 48 R 4.2619 7.8444 121.5842 56.3543 31.0019 175.1873 49 Q 5.1232 8.6732 124.7936 54.8401 30.5872 175.2788 50 V 4.5012 8.7445 122.8111 61.3105 35.0058 173.8181 51 C 5.0349 9.0085 125.4731 57.0398 41.4481 172.5393 52 A 5.0526 9.0235 123.8086 50.3640 23.2458 174.8738 53 D 3.4773 8.0236 119.4113 52.2727 41.2709 175.7126 54 P 4.0789 0.0000 0.0000 64.5001 31.4569 177.1216 55 S 4.6229 7.5982 111.6798 57.9799 63.3075 173.9191 56 E 4.4405 7.4917 121.3549 54.8378 31.6782 176.3529 57 E 3.8667 8.6286 123.8191 59.4804 29.7196 179.8788 58 W 4.1210 8.0450 115.6248 59.2718 27.8089 178.2493 59 V 3.1422 6.3889 111.9910 63.4627 31.1895 177.9246 60 Q 3.9665 7.3592 116.8970 58.8216 28.7274 177.8486 61 K 3.9587 8.1968 120.3726 60.3384 32.1210 179.9245 62 Y 4.4743 8.3161 115.6076 58.0297 37.9164 178.6753 *64 S 4.3398 8.0609 115.3068 58.5433 64.2118 175.2961 65 D 4.4069 8.2886 118.6894 57.4177 40.7253 178.1581 66 L 4.2456 7.8855 118.2835 57.6847 41.9220 178.4247 67 E 4.2577 8.1611 117.2050 59.1459 30.0277 177.4066 68 L 4.4621 7.9222 119.1371 53.6761 41.5217 177.0363 69 S 4.3233 7.6913 117.5932 59.2111 62.2590 175.9856 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 4 A 8.26 4.24 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 5 A 8.61 4.29 1.26 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 0.00 0.00 0.00 6 D 9.28 4.46 0.00 2.83 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 7 T 7.44 4.71 4.24 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 1.24 0.00 0.00 8 P 0.00 4.49 0.00 2.09 2.05 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 9 T 8.09 4.62 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 1.26 0.00 0.00 10 A 8.60 4.31 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 11 C 8.45 4.91 0.00 2.81 2.35 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 12 C 8.17 4.81 0.00 2.81 2.84 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 13 F 8.41 4.58 0.00 2.99 2.95 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 14 S 7.54 4.38 0.00 3.89 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 15 Y 7.94 5.07 0.00 3.03 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 4.04 4.42 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 1.63 0.00 0.00 17 S 8.66 4.59 0.00 3.92 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 18 R 7.28 4.61 0.00 1.80 1.79 0.00 3.11 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 1.50 1.47 0.00 19 Q 7.97 2.52 0.00 0.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.00 20 I 6.75 3.64 1.83 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 1.50 1.08 0.95 0.00 0.00 21 P 0.00 4.03 0.00 0.74 1.44 0.00 2.80 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.60 0.00 22 Q 8.42 3.38 0.00 1.59 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.01 0.00 0.00 0.00 0.00 0.00 1.91 1.16 0.00 23 N 7.81 4.69 0.00 2.93 2.90 0.00 0.00 6.07 7.43 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 24 F 8.40 4.51 0.00 3.18 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 25 I 7.57 4.27 1.86 0.00 0.00 0.83 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 0.54 1.04 0.00 0.00 26 A 8.63 4.71 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 27 D 7.95 4.68 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.51 5.43 0.00 2.76 3.20 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 29 F 8.47 4.66 0.00 2.99 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.80 4.97 0.00 1.94 1.92 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 2.22 2.43 0.00 31 T 8.31 4.43 4.32 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 1.06 0.00 0.00 32 S 8.88 4.15 0.00 3.90 3.82 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 33 S 8.51 4.47 0.00 4.02 3.96 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 34 Q 7.90 4.18 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 35 C 7.65 4.52 0.00 2.97 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 36 S 8.86 4.12 0.00 4.03 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 37 K 7.44 4.64 0.00 1.73 1.74 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.38 7.81 38 P 0.00 4.50 0.00 2.00 1.95 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 39 G 8.28 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 0.00 0.00 0.00 0.00 40 V 8.56 4.56 1.57 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 0.08 0.00 0.00 0.66 0.00 0.00 41 I 7.87 4.55 0.86 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.18 0.80 0.00 0.00 42 F 8.94 5.24 0.00 3.18 3.09 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 43 L 8.88 5.28 0.00 1.93 1.67 1.03 0.86 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 44 T 8.86 5.10 4.36 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 1.36 0.00 0.00 45 K 8.63 4.00 0.00 1.71 1.90 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.51 1.55 7.81 46 R 7.90 4.23 0.00 1.76 1.92 0.00 3.22 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 47 S 8.14 3.96 0.00 4.05 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 48 R 7.84 4.26 0.00 1.96 1.85 0.00 3.13 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 49 Q 8.67 5.12 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.50 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 50 V 8.74 4.50 2.35 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 1.29 0.00 0.00 1.08 0.00 0.00 51 C 9.01 5.03 0.00 3.04 3.17 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 52 A 9.02 5.05 1.22 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 0.00 0.00 53 D 8.02 3.48 0.00 1.63 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 0.00 0.00 0.00 0.00 54 P 0.00 4.08 0.00 1.91 1.91 0.00 3.38 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 55 S 7.60 4.62 0.00 3.90 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 56 E 7.49 4.44 0.00 1.85 1.24 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 2.28 2.25 0.00 57 E 8.63 3.87 0.00 2.01 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 0.00 2.37 2.36 0.00 58 W 8.04 4.12 0.00 3.34 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 59 V 6.39 3.14 1.40 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 -0.68 0.00 0.00 0.55 0.00 0.00 60 Q 7.36 3.97 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 61 K 8.20 3.96 0.00 2.04 2.26 0.00 1.88 0.00 0.00 1.89 0.00 0.00 3.24 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.84 7.81 62 Y 8.32 4.47 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *64 S 8.06 4.34 0.00 3.88 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 65 D 8.29 4.41 0.00 2.67 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 66 L 7.89 4.25 0.00 1.90 2.00 1.29 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.16 4.26 0.00 2.17 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 2.60 2.44 0.00 68 L 7.92 4.46 0.00 1.64 1.68 0.94 1.17 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 69 S 7.69 4.32 0.00 3.93 3.77 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 * Residues marked with a * may have inaccurate shift predictions.