NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8328 8.3501 109.7346 44.8631 0.0000 173.3288 3 A 4.0592 7.9288 122.4392 50.7887 19.0626 175.8289 4 Q 4.2532 9.2348 125.4947 54.9799 31.0591 172.8458 5 V 4.6547 8.2853 126.2862 61.2563 33.6100 174.5844 6 S 4.7468 8.2730 122.8006 56.5148 67.4479 173.4123 7 S 4.8745 8.5608 117.6265 58.5716 63.5005 174.1276 8 Q 4.3132 8.9306 123.8037 55.1751 29.7500 176.6079 9 K 4.0521 8.5771 124.6889 55.2201 30.9616 175.8422 10 V 3.7692 8.0963 125.1099 62.0357 32.5954 175.7893 11 G 3.3764 9.0101 120.4876 46.6630 0.0000 174.2460 12 A 3.9952 9.0845 125.6456 52.4225 19.1821 178.1323 13 H 4.7197 8.4188 120.2065 54.6228 30.2564 175.2668 14 E 4.2329 8.4305 123.3807 55.9780 30.4212 176.8451 15 N 4.6718 8.4191 118.9794 53.3008 37.0827 175.5130 16 S 4.1067 7.1880 111.8620 59.3923 64.2195 173.1555 *23 S 4.1188 7.6828 124.9023 57.9267 62.5948 173.6796 24 T 4.0786 8.3171 122.3402 61.9760 68.0119 173.2363 25 I 4.5538 8.2235 127.8469 59.8595 39.4602 174.4876 26 N 5.7412 8.8359 123.1572 51.6284 42.0220 173.0720 27 Y 5.0094 8.8494 117.5037 55.7258 41.8323 174.2969 28 T 5.0233 8.6182 116.4336 62.2125 71.5333 173.8398 29 T 4.7064 8.8920 121.1863 61.8573 72.7217 172.9273 30 I 4.6488 8.1163 125.7367 59.4095 40.2979 174.7612 31 N 4.2535 8.5832 124.8295 52.7689 39.1161 174.8510 32 Y 4.4211 7.8990 120.5260 58.9699 38.7209 175.0981 33 Y 4.9367 7.5578 116.3520 55.7288 40.6527 175.8733 34 R 4.0275 8.7658 122.9790 58.9123 30.7971 176.4948 35 D 4.7464 8.0473 118.5717 52.9392 41.9579 177.0610 36 S 4.3525 9.2394 119.9768 60.9023 63.1477 176.5898 37 A 4.0245 8.1112 121.7184 55.3759 18.1012 178.8081 38 S 4.1551 7.9713 110.5264 60.7655 63.2840 174.7967 39 N 4.4886 8.0540 118.6813 52.4810 38.8114 174.7621 40 A 4.1534 8.3514 124.3857 51.8366 19.0625 176.7096 41 A 4.3033 8.2899 122.3400 51.4023 19.1659 178.6433 42 S 4.0441 8.8700 118.5271 59.7790 62.5374 175.0768 43 K 4.0439 7.2520 111.8572 56.3795 30.4920 176.6095 44 Q 4.1889 7.8224 119.9955 54.5375 26.8527 174.8058 45 D 4.6247 7.4228 120.5334 52.5329 43.4182 175.8967 46 F 4.8926 8.2690 119.6128 56.2750 40.8493 175.7469 47 S 4.8851 8.6043 119.5145 57.0227 64.6488 173.3820 48 Q 4.7026 8.2230 119.8556 54.0552 31.4188 174.1117 49 D 4.6381 8.3191 117.9119 52.8768 42.1283 175.1307 50 P 4.6101 0.0000 0.0000 64.4224 32.0427 178.5277 51 S 4.0430 8.0741 116.7175 61.7405 62.7472 176.9712 52 K 3.8112 7.7725 117.2513 58.7758 32.4982 177.3365 53 F 4.8651 8.0775 118.0641 59.2160 40.2709 177.1793 54 T 4.2077 8.0019 109.0074 63.5481 69.8910 174.6521 55 E 4.7724 8.3107 120.9427 54.7626 29.8272 174.6099 56 P 4.4156 0.0000 0.0000 62.9504 31.8377 176.9230 57 I 4.0567 7.4005 112.3215 60.6544 38.5105 176.0579 58 K 3.9231 8.6715 124.0396 59.5710 32.2187 176.9784 59 D 4.5818 7.9945 120.7103 52.9586 40.4808 176.3479 60 V 3.4374 8.2649 123.4131 61.6158 31.4711 175.8296 61 L 4.2204 8.4031 124.9859 54.8892 41.6986 176.2462 62 I 4.2805 8.0739 122.9981 59.2658 37.5352 176.4353 63 K 3.9144 8.7694 126.3763 59.7515 32.2358 178.1119 64 T 4.0581 7.8502 107.6732 62.8028 69.4051 174.6144 65 A 4.4469 7.6805 125.2479 49.7998 19.9536 175.1163 66 P 4.2651 0.0000 0.0000 63.0574 31.5224 176.1232 67 M 4.0533 8.8952 123.2757 57.5559 32.2555 176.0358 68 L 4.7436 7.7418 117.5995 52.7700 44.0556 175.7073 69 N 4.5092 8.5380 121.0496 53.8808 39.1095 173.6471 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 3.83 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 0.00 0.00 0.00 3 A 7.93 4.06 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 0.00 0.00 0.00 0.00 0.00 4 Q 9.23 4.25 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 5 V 8.29 4.65 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 0.80 0.00 0.00 0.87 0.00 0.00 6 S 8.27 4.75 0.00 3.18 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.56 4.87 0.00 3.80 3.83 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 8 Q 8.93 4.31 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.15 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 9 K 8.58 4.05 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 10 V 8.10 3.77 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 0.71 0.00 0.00 0.95 0.00 0.00 11 G 9.01 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 0.00 0.00 0.00 12 A 9.08 4.00 1.23 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 13 H 8.42 4.72 0.00 3.14 3.25 0.00 5.71 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 14 E 8.43 4.23 0.00 1.94 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 2.37 2.34 0.00 15 N 8.42 4.67 0.00 2.76 2.82 0.00 0.00 6.76 7.57 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 16 S 7.19 4.11 0.00 3.82 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 *23 S 7.68 4.12 0.00 3.90 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 24 T 8.32 4.08 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 1.28 0.00 0.00 25 I 8.22 4.55 1.91 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 1.37 0.68 1.01 0.00 0.00 26 N 8.84 5.74 0.00 2.57 2.79 0.00 0.00 6.82 7.46 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 27 Y 8.85 5.01 0.00 2.95 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 28 T 8.62 5.02 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 1.19 0.00 0.00 29 T 8.89 4.71 4.15 0.00 0.00 0.00 0.00 0.00 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 30 I 8.12 4.65 1.83 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.58 0.90 0.00 0.00 31 N 8.58 4.25 0.00 2.63 2.71 0.00 0.00 7.12 7.46 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 32 Y 7.90 4.42 0.00 2.28 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.56 4.94 0.00 2.95 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 34 R 8.77 4.03 0.00 1.83 2.03 0.00 3.25 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 35 D 8.05 4.75 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 9.24 4.35 0.00 3.89 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 37 A 8.11 4.02 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 38 S 7.97 4.16 0.00 4.03 3.67 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 0.00 0.00 0.00 39 N 8.05 4.49 0.00 2.93 2.74 0.00 0.00 6.71 6.82 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 40 A 8.35 4.15 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 41 A 8.29 4.30 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 42 S 8.87 4.04 0.00 3.85 3.92 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 43 K 7.25 4.04 0.00 1.99 1.86 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.46 7.81 44 Q 7.82 4.19 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 45 D 7.42 4.62 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.27 4.89 0.00 3.12 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.60 4.89 0.00 3.92 3.83 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 48 Q 8.22 4.70 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 49 D 8.32 4.64 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.61 0.00 2.35 2.41 0.00 3.81 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 2.11 2.04 0.00 51 S 8.07 4.04 0.00 3.86 3.92 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 52 K 7.77 3.81 0.00 1.46 1.66 0.00 1.12 0.00 0.00 1.42 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.73 0.21 7.81 53 F 8.08 4.87 0.00 3.14 3.07 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 0.00 0.00 0.00 54 T 8.00 4.21 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 1.29 0.00 0.00 55 E 8.31 4.77 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 56 P 0.00 4.42 0.00 2.18 2.24 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 57 I 7.40 4.06 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.59 0.91 0.00 0.00 58 K 8.67 3.92 0.00 1.73 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.45 7.81 59 D 7.99 4.58 0.00 2.70 2.62 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 60 V 8.26 3.44 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 0.73 0.00 0.00 0.92 0.00 0.00 61 L 8.40 4.22 0.00 1.75 1.70 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.07 4.28 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.91 0.00 0.00 63 K 8.77 3.91 0.00 1.86 1.97 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 64 T 7.85 4.06 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 65 A 7.68 4.45 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 66 P 0.00 4.27 0.00 2.34 2.10 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 67 M 8.90 4.05 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 68 L 7.74 4.74 0.00 1.63 1.55 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.54 4.51 0.00 2.61 2.60 0.00 0.00 7.06 7.56 0.00 0.00 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.