NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 4.0847 8.0393 120.3104 61.7303 32.7572 174.2467 13 T 4.5939 8.2846 112.9149 59.7110 71.1176 171.8002 14 L 4.9188 9.2267 123.8067 53.2613 46.7549 176.4737 15 T 5.0223 8.2973 115.5567 61.9939 71.6580 173.7693 16 I 4.5440 9.0781 127.0462 59.4101 40.5660 174.6786 17 R 5.0597 8.5885 124.7584 54.5004 32.4497 175.0844 18 L 4.7338 9.1837 124.5929 53.3650 43.9726 176.0342 19 L 5.3070 8.2168 121.5684 52.8548 44.2315 175.6377 *21 H 5.0884 7.9331 116.1363 55.5191 30.0849 174.9139 22 G 3.7270 8.6590 108.2540 47.9995 0.0000 175.9989 23 K 3.9695 7.9903 121.1952 59.4526 32.2925 178.6601 24 E 3.9611 8.1312 118.4357 59.3039 29.3594 179.1263 25 V 3.6693 8.0465 118.5208 66.0630 31.4524 178.1924 26 G 3.6823 8.2662 105.5846 47.9528 0.0000 175.7912 27 S 4.1659 7.6488 115.7259 61.1928 63.1721 176.3558 28 I 3.8533 7.6836 122.7396 63.9773 37.2282 178.3151 29 I 3.8746 8.1311 121.1628 63.2110 37.2120 177.7239 30 G 4.3280 8.0857 105.0033 44.5360 0.0000 172.7848 31 K 4.0989 8.3010 118.1193 57.6648 32.3026 177.7826 32 K 3.6460 9.6318 121.0309 57.0643 29.9140 175.9846 33 G 3.9548 8.4273 105.8718 46.4959 0.0000 176.0378 34 E 3.9599 8.2540 121.2252 59.2122 29.0746 179.1727 35 S 4.0500 7.9121 112.8300 61.2379 62.7581 176.1775 36 V 3.7594 7.4752 120.0288 64.3280 31.3629 177.7798 37 K 4.0811 8.1110 120.5298 59.1397 31.9788 179.8675 38 K 4.2935 7.7837 118.4748 56.6427 31.9713 178.7336 *40 R 4.2244 7.9905 117.9719 55.8008 32.1444 177.5519 41 E 3.9220 8.3880 117.3301 59.3086 29.7769 177.7632 42 E 4.2636 8.2965 116.9543 58.8230 29.9969 178.3088 43 S 4.1619 8.0856 113.2676 59.3082 63.4714 175.9021 44 G 3.9122 7.9888 106.8443 45.3069 0.0000 173.0727 45 A 4.4805 7.8742 121.3595 51.0219 20.0192 177.7079 46 R 4.1132 8.8634 122.0000 56.1791 31.3106 175.2793 47 I 5.0412 8.4207 127.0746 59.5282 39.8112 174.3284 48 N 5.0332 9.2300 126.0997 51.6756 41.8904 172.9053 49 I 4.9994 8.2339 126.4139 59.1375 39.3181 175.7164 50 S 4.3319 8.8314 122.8254 58.4224 63.5745 174.3293 51 E 4.1597 8.6025 121.2603 56.2850 30.3302 176.4277 52 G 3.8526 8.7194 105.8106 44.9787 0.0000 173.5365 53 N 4.9900 8.2057 116.0468 52.9334 39.2688 174.7196 54 C 4.2235 8.1330 115.8607 59.3369 29.0981 172.0107 55 P 4.3617 0.0000 0.0000 65.0100 31.1551 176.0692 56 E 4.7919 7.9713 116.1538 54.4576 31.8705 175.6575 57 R 4.5735 8.3187 122.2457 55.0494 33.3050 174.9360 58 I 4.6508 8.4706 121.4011 59.8870 39.6400 174.9721 59 I 4.7407 8.9400 128.8234 60.1462 39.0268 174.7175 60 T 4.9560 9.1590 125.0670 62.0098 70.6331 173.7958 61 L 5.2131 9.0751 126.5127 52.9126 44.4945 175.4903 62 A 4.9198 9.4203 124.7079 50.9252 23.2790 175.8536 63 G 3.7779 8.0976 105.7862 43.8673 0.0000 171.6553 64 P 4.5473 0.0000 0.0000 62.8005 33.2281 177.2114 65 T 3.6721 8.4113 111.3188 65.2571 68.6580 176.4790 66 N 4.6950 8.2509 118.4019 55.6058 38.5624 177.2350 67 A 4.2668 7.8777 123.4361 54.7186 18.5485 179.3599 68 I 3.6261 7.8345 118.4136 64.6198 37.0782 178.5911 69 F 4.4184 8.2328 118.5377 60.5394 38.5524 177.6580 70 K 3.9941 8.1432 117.5962 59.4758 32.1287 178.3061 71 A 4.1691 8.0372 119.8217 55.1604 18.5455 178.8757 72 F 4.2730 8.7241 119.3223 61.3714 39.3714 178.3384 73 A 4.1873 8.2928 118.2699 52.5682 18.1458 179.2807 *75 I 3.9609 7.7228 122.7968 63.0799 39.3573 178.4186 76 I 3.5174 7.6597 121.1510 64.3385 36.5579 178.0734 77 D 4.3318 8.1110 119.0215 57.3084 40.9767 178.5492 78 K 4.1071 7.9351 119.3678 59.6438 32.0750 178.6786 79 L 4.1008 7.8437 117.4512 56.8938 41.5433 178.2144 80 E 4.3629 7.3096 116.1783 55.2915 31.0520 175.5010 81 E 4.5571 8.4230 119.8008 57.1951 28.2512 175.7083 82 D 4.8475 7.7878 121.6415 54.7714 40.5090 174.8343 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 12 V 8.04 4.08 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 0.92 0.00 0.00 0.91 0.00 0.00 13 T 8.28 4.59 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 1.20 0.00 0.00 14 L 9.23 4.92 0.00 1.52 1.50 0.79 0.56 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 15 T 8.30 5.02 4.22 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 1.19 0.00 0.00 16 I 9.08 4.54 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.82 0.85 0.00 0.00 17 R 8.59 5.06 0.00 1.65 1.82 0.00 3.18 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 18 L 9.18 4.73 0.00 1.59 1.63 1.08 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.22 5.31 0.00 1.51 1.55 0.91 1.17 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 *21 H 7.93 5.09 0.00 3.45 3.26 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.66 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 0.00 0.00 0.00 23 K 7.99 3.97 0.00 1.80 1.82 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.47 7.81 24 E 8.13 3.96 0.00 2.26 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 2.41 2.42 0.00 25 V 8.05 3.67 2.23 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 1.10 0.00 0.00 0.97 0.00 0.00 26 G 8.27 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.65 4.17 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.68 3.85 2.00 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 1.49 0.58 0.90 0.00 0.00 29 I 8.13 3.87 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 1.45 1.26 0.91 0.00 0.00 30 G 8.09 4.33 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 0.00 31 K 8.30 4.10 0.00 2.00 1.76 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.47 7.81 32 K 9.63 3.65 0.00 1.90 1.88 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.41 7.81 33 G 8.43 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 0.00 0.00 0.00 34 E 8.25 3.96 0.00 2.22 2.23 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 2.40 2.32 0.00 35 S 7.91 4.05 0.00 3.88 4.06 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 36 V 7.48 3.76 2.20 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 0.85 0.00 0.00 0.93 0.00 0.00 37 K 8.11 4.08 0.00 1.93 2.09 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.46 7.81 38 K 7.78 4.29 0.00 1.90 1.89 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.64 7.81 *40 R 7.99 4.22 0.00 2.08 2.00 0.00 3.19 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 41 E 8.39 3.92 0.00 2.03 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 0.00 2.33 2.30 0.00 42 E 8.30 4.26 0.00 2.08 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 0.00 2.33 2.36 0.00 43 S 8.09 4.16 0.00 4.27 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 0.00 44 G 7.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.87 4.48 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 46 R 8.86 4.11 0.00 1.95 1.93 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 47 I 8.42 5.04 1.88 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 1.25 0.98 0.92 0.00 0.00 48 N 9.23 5.03 0.00 2.79 2.62 0.00 0.00 6.56 8.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.23 5.00 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 1.41 0.79 0.91 0.00 0.00 50 S 8.83 4.33 0.00 3.86 3.87 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 0.00 0.00 0.00 51 E 8.60 4.16 0.00 1.96 1.93 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 2.31 2.36 0.00 52 G 8.72 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 0.00 0.00 0.00 53 N 8.21 4.99 0.00 2.68 2.79 0.00 0.00 6.81 7.66 0.00 0.00 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 C 8.13 4.22 0.00 2.95 2.87 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 0.00 0.00 0.00 55 P 0.00 4.36 0.00 2.18 2.17 0.00 3.53 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 56 E 7.97 4.79 0.00 1.85 1.76 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 1.83 2.05 0.00 57 R 8.32 4.57 0.00 1.75 1.84 0.00 3.21 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 58 I 8.47 4.65 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 1.22 0.75 0.91 0.00 0.00 59 I 8.94 4.74 1.90 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 1.23 0.64 0.93 0.00 0.00 60 T 9.16 4.96 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 61 L 9.08 5.21 0.00 1.52 1.56 1.06 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.42 4.92 1.18 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 0.00 0.00 0.00 63 G 8.10 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.55 0.00 2.18 2.00 0.00 3.61 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 2.12 2.15 0.00 65 T 8.41 3.67 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 1.20 0.00 0.00 66 N 8.25 4.70 0.00 2.84 3.02 0.00 0.00 7.02 7.33 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 67 A 7.88 4.27 1.41 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 68 I 7.83 3.63 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.74 0.00 0.00 69 F 8.23 4.42 0.00 3.32 3.01 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 70 K 8.14 3.99 0.00 1.92 2.06 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.55 7.81 71 A 8.04 4.17 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.72 4.27 0.00 3.23 3.36 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 73 A 8.29 4.19 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *75 I 7.72 3.96 1.82 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 1.38 0.88 0.79 0.00 0.00 76 I 7.66 3.52 1.78 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.01 0.83 0.00 0.00 77 D 8.11 4.33 0.00 2.63 2.72 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 78 K 7.94 4.11 0.00 1.83 1.94 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.57 7.81 79 L 7.84 4.10 0.00 1.74 1.69 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.31 4.36 0.00 2.02 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 2.40 2.45 0.00 81 E 8.42 4.56 0.00 2.03 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 0.00 2.15 2.25 0.00 82 D 7.79 4.85 0.00 2.84 2.72 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 * Residues marked with a * may have inaccurate shift predictions.