NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9326 8.3549 109.7370 45.2091 0.0000 174.4493 3 K 3.9730 8.3512 118.4481 54.6342 33.9574 171.2762 4 V 4.4884 8.6187 121.9300 61.4250 35.5516 173.5530 5 Y 4.9847 8.8587 124.3692 56.1531 40.8357 174.6995 6 K 4.4976 8.1796 122.5497 54.5061 35.2337 174.7615 7 K 4.9948 8.4851 125.2418 54.6568 34.4305 175.7261 8 V 4.4447 8.6399 123.6636 61.0458 35.0009 173.7179 9 E 4.9561 8.9073 128.6850 55.1466 30.2821 174.7812 10 L 4.8631 8.9453 127.1977 52.8411 45.7601 176.0608 11 V 4.6142 8.3046 120.4978 61.1894 33.4605 174.9310 12 G 4.4020 8.9561 116.6273 45.0249 0.0000 171.7912 13 T 5.3438 8.1660 113.9527 60.2350 72.0540 173.1049 14 S 4.6640 8.7346 115.0405 57.9674 65.8990 175.5037 15 E 4.6346 9.0720 124.3401 57.7221 30.0589 177.4678 16 E 4.2536 8.1964 118.2702 57.4850 30.4699 176.1834 17 G 3.4055 7.1890 105.0970 44.1114 0.0000 173.5906 18 L 3.7657 7.2698 118.1559 57.8237 41.4645 179.4155 19 E 3.8997 8.0670 117.7584 59.5435 29.4334 179.2596 20 A 3.9318 7.8944 119.8928 54.8627 18.5415 179.4501 21 A 3.9269 7.7490 119.0242 55.3698 18.5031 179.9149 22 I 3.5237 7.6714 118.3073 64.6849 37.0827 178.7717 23 Q 3.8987 8.2182 118.6893 58.6001 28.5220 178.6914 24 A 3.9054 8.0842 121.6823 55.0523 18.4645 179.4436 25 A 3.8838 7.8428 118.6636 55.4910 18.5516 179.7850 26 L 3.8672 7.7909 117.1880 57.7120 41.3965 179.6046 27 A 3.9718 7.9947 120.3854 55.0006 18.1791 179.3871 28 R 3.9290 7.9105 116.6730 59.3445 30.1077 178.4541 29 A 3.8874 8.0281 120.6821 55.2258 16.7613 179.5801 30 R 3.7851 8.0573 117.0147 59.4187 29.8398 178.9058 31 K 4.2641 7.6223 117.1984 58.7680 32.0144 177.8651 32 T 4.4083 7.2290 112.4997 63.3547 71.0153 174.1466 33 L 4.4902 7.8935 120.1235 52.7386 43.6729 175.9201 34 R 4.5115 7.9168 119.9760 55.5372 33.0812 174.9059 35 H 4.1812 8.4610 113.4554 56.8010 26.1252 175.2054 36 L 4.5236 8.1395 118.8166 55.4547 42.1558 175.6455 37 D 5.2062 9.2906 122.5378 55.1980 43.0109 176.2351 38 W 5.5629 7.8224 113.3686 55.0171 32.0623 172.9068 39 F 5.4446 8.4518 114.2134 55.3603 41.1925 173.8759 40 E 4.6687 9.3312 118.6311 54.7517 33.4491 174.9495 41 V 4.2813 8.6811 125.4654 62.8817 31.6646 175.6003 42 K 4.4723 9.1981 128.8519 58.7319 32.9737 176.9389 43 E 4.7998 7.8329 114.9763 55.4154 32.8525 174.1383 44 I 4.9093 8.3791 121.3315 59.9959 39.7455 174.8988 45 R 4.7543 9.4430 126.3800 55.1233 34.6934 174.2029 46 G 4.3106 7.8301 106.8615 47.2943 0.0000 171.9721 47 T 4.8027 7.8285 109.7465 59.8584 71.9145 173.3927 48 I 4.7114 8.2620 122.7064 59.8044 39.4621 175.4039 49 G 4.3560 8.7323 116.6742 43.8864 0.0000 172.5239 50 E 3.8330 8.9735 118.5770 58.7648 29.7227 178.3448 51 A 4.6459 7.9502 119.2382 51.9022 20.4864 176.3983 52 G 4.0124 7.3684 107.3077 45.0234 0.0000 176.7964 53 V 3.7881 8.2394 124.3647 62.9704 31.7848 174.4298 54 K 4.3335 8.6407 128.1720 57.5943 33.6892 176.0641 55 E 4.7108 7.5505 120.2758 54.6667 33.0631 173.6445 56 Y 4.6166 9.2661 125.7382 57.9383 39.7166 174.9565 57 Q 4.8522 9.3609 122.1217 54.3650 32.5185 174.5411 58 V 4.5190 8.7245 126.3209 61.1923 32.9244 175.0390 59 V 4.3322 8.5949 129.6877 62.6338 32.7836 174.6614 60 L 5.1875 9.0288 128.9917 53.6469 46.0343 174.1610 61 E 5.0469 9.4701 125.8843 54.7000 32.0390 174.8545 62 V 4.4989 8.8760 125.2084 60.9806 34.0594 174.2807 63 G 3.2292 8.1459 115.8807 43.9251 0.0000 172.3035 64 F 5.6477 8.3950 118.8702 54.8564 41.9410 173.7772 65 R 4.0406 8.8650 121.8634 56.1477 30.4911 176.0469 66 L 4.3771 8.2083 126.9507 54.5273 42.4651 177.1166 67 E 4.1654 8.6872 122.7520 56.3689 30.7266 175.9664 68 E 3.9800 8.4961 119.7764 57.6166 29.8765 174.8512 *69 T 4.1630 8.2047 113.8970 61.1224 69.2274 174.4302 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 2 G 8.35 3.93 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 0.00 0.00 0.00 3 K 8.35 3.97 0.00 1.82 1.42 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.50 7.81 4 V 8.62 4.49 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 1.01 0.00 0.00 0.91 0.00 0.00 5 Y 8.86 4.98 0.00 3.01 3.04 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 0.00 0.00 0.00 0.00 6 K 8.18 4.50 0.00 1.46 0.74 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 1.27 7.81 7 K 8.49 4.99 0.00 1.66 1.67 0.00 2.08 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.16 1.37 7.81 8 V 8.64 4.44 2.26 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 1.05 0.00 0.00 1.11 0.00 0.00 9 E 8.91 4.96 0.00 2.03 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 2.24 2.46 0.00 10 L 8.95 4.86 0.00 1.56 1.49 0.87 0.64 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 11 V 8.30 4.61 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 0.85 0.00 0.00 0.94 0.00 0.00 12 G 8.96 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 0.00 0.00 0.00 0.00 13 T 8.17 5.34 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 1.22 0.00 0.00 14 S 8.73 4.66 0.00 3.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.07 4.63 0.00 2.03 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 2.41 2.34 0.00 16 E 8.20 4.25 0.00 1.98 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 2.33 2.40 0.00 17 G 7.19 3.41 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 0.00 18 L 7.27 3.77 0.00 1.53 1.63 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.07 3.90 0.00 1.99 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 2.43 0.00 20 A 7.89 3.93 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 21 A 7.75 3.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.67 3.52 1.87 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 1.42 0.71 0.40 0.00 0.00 23 Q 8.22 3.90 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 24 A 8.08 3.91 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 25 A 7.84 3.88 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 26 L 7.79 3.87 0.00 1.60 1.63 0.55 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.99 3.97 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 28 R 7.91 3.93 0.00 1.92 2.04 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.03 3.89 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 30 R 8.06 3.79 0.00 1.96 2.13 0.00 3.08 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 K 7.62 4.26 0.00 1.91 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.64 7.81 32 T 7.23 4.41 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 1.10 0.00 0.00 33 L 7.89 4.49 0.00 1.30 0.79 0.41 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.92 4.51 0.00 1.67 1.46 0.00 3.28 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 35 H 8.46 4.18 0.00 3.65 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.14 4.52 0.00 1.66 1.66 0.85 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.29 5.21 0.00 3.09 3.08 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 38 W 7.82 5.56 0.00 3.26 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 39 F 8.45 5.44 0.00 3.03 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 40 E 9.33 4.67 0.00 1.97 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 2.43 2.52 0.00 41 V 8.68 4.28 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 0.84 0.00 0.00 1.13 0.00 0.00 42 K 9.20 4.47 0.00 1.80 1.87 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.56 7.81 43 E 7.83 4.80 0.00 2.02 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 2.29 2.35 0.00 44 I 8.38 4.91 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.73 1.00 0.00 0.00 45 R 9.44 4.75 0.00 1.71 1.82 0.00 3.42 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 1.54 1.57 0.00 46 G 7.83 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 0.00 0.00 0.00 0.00 47 T 7.83 4.80 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 1.18 0.00 0.00 48 I 8.26 4.71 1.84 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 1.22 0.63 0.91 0.00 0.00 49 G 8.73 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 0.00 0.00 0.00 0.00 50 E 8.97 3.83 0.00 1.93 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 2.28 2.31 0.00 51 A 7.95 4.65 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 52 G 7.37 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.24 3.79 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 -0.38 0.00 0.00 0.73 0.00 0.00 54 K 8.64 4.33 0.00 1.81 1.82 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.32 7.81 55 E 7.55 4.71 0.00 2.13 1.67 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 2.20 2.29 0.00 56 Y 9.27 4.62 0.00 3.09 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 57 Q 9.36 4.85 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 58 V 8.72 4.52 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 0.94 0.00 0.00 0.95 0.00 0.00 59 V 8.59 4.33 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 0.95 0.00 0.00 0.95 0.00 0.00 60 L 9.03 5.19 0.00 1.91 1.54 1.00 0.63 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 61 E 9.47 5.05 0.00 1.96 1.84 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 2.25 2.25 0.00 62 V 8.88 4.50 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 0.95 0.00 0.00 0.90 0.00 0.00 63 G 8.15 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 0.00 0.00 0.00 64 F 8.40 5.65 0.00 3.34 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 65 R 8.86 4.04 0.00 1.93 1.91 0.00 3.09 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.03 0.00 66 L 8.21 4.38 0.00 1.60 1.55 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.69 4.17 0.00 1.99 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 2.36 2.41 0.00 68 E 8.50 3.98 0.00 2.10 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 2.15 2.28 0.00 *69 T 8.20 4.16 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.