NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2220 8.4401 121.4701 55.7872 31.2558 175.9888 13 A 4.2322 7.7327 120.9677 51.2023 20.0220 178.3536 14 R 3.8919 8.6430 113.3627 59.8307 30.1745 177.6159 15 K 4.1124 7.9045 119.5739 58.7099 32.4964 176.9266 16 L 3.9810 7.4777 118.6313 57.9450 41.1392 179.2403 17 S 4.2493 8.3341 115.4558 60.9767 63.0873 175.0699 18 P 4.2201 0.0000 0.0000 65.9485 30.9354 178.2850 19 V 3.5637 7.1478 114.0479 66.6637 31.1533 177.6019 20 E 4.0446 8.3408 117.9887 59.2883 29.5009 179.1723 21 L 4.0157 10.4450 118.8063 57.4230 41.7745 179.4393 22 E 3.9392 8.5179 120.2819 58.9906 29.5152 178.2676 23 K 3.8079 9.1786 120.5515 59.4686 32.0532 177.9279 24 L 4.0590 7.8019 120.7615 57.2853 42.0506 178.5889 25 V 3.7934 7.6994 119.6632 65.7498 31.2860 177.8632 26 R 4.0340 8.4364 119.3507 58.2147 29.8470 177.9872 27 E 3.8927 8.3015 119.7142 59.5523 29.9451 179.6655 28 K 4.2608 8.3716 115.1627 56.6606 31.0554 176.9032 29 K 4.3222 7.9837 117.6386 57.3028 34.5606 178.7861 30 R 3.8927 7.9232 115.8361 59.6069 29.2985 178.0752 31 E 3.9593 7.6647 119.1591 58.2362 29.3381 178.4474 32 L 3.6948 7.0506 119.3916 58.6144 40.9731 178.7487 33 M 4.1189 10.6333 118.4142 55.5187 32.2441 176.1006 34 E 4.7557 6.9446 116.0700 53.9712 31.9604 177.2414 35 L 4.3050 8.3738 121.3858 53.9857 39.6475 176.4900 36 R 4.6978 7.4556 124.0100 54.3605 31.7684 175.1973 37 F 4.7136 7.6191 114.0673 58.3546 40.8537 172.9985 38 Q 3.9898 8.4764 126.4802 57.7376 29.5597 177.7457 39 A 3.7546 7.7554 120.5804 55.3126 18.5941 178.5717 40 S 2.7900 6.9434 107.4906 58.7720 62.3867 175.1033 41 I 2.7612 9.1614 119.3568 61.9061 36.7016 180.3121 42 G 3.1888 7.2788 109.6275 47.3675 0.0000 176.4758 43 Q 4.1389 7.9848 118.5534 56.3794 27.8031 177.1785 44 L 4.3685 9.4004 121.1153 55.6438 43.1726 176.7444 45 S 4.9652 7.6996 115.3540 58.6157 62.5007 173.4620 46 Q 4.4405 7.6910 122.5205 57.5927 31.6522 176.6689 47 N 5.0394 8.5979 113.0385 56.4108 37.5029 175.9765 48 H 4.1338 7.3216 117.7974 58.2945 30.1883 174.7563 49 K 3.9839 7.5191 117.1255 56.6078 32.6751 175.6306 50 I 3.5405 6.1790 132.8883 64.8389 37.8750 176.0065 51 R 4.3672 7.8766 128.2022 55.0690 30.1590 175.2869 52 D 5.1228 8.1498 124.8751 54.8628 39.7162 177.4998 53 L 4.2056 5.6200 118.7083 56.3136 43.3626 176.0207 54 K 4.0329 10.4387 124.7269 56.6051 30.1037 176.6866 55 R 4.5974 7.8253 112.6524 56.6538 34.5171 174.6530 56 Q 4.3578 7.9709 115.5720 56.5773 28.8918 175.2671 57 I 3.5352 7.7409 119.5558 60.9478 36.8221 174.3380 58 A 3.9924 8.2915 129.4484 51.9310 17.8519 176.6805 59 R 4.0268 8.6404 123.1259 56.6182 28.3372 176.9970 60 L 3.2527 7.3992 117.8455 59.1146 43.7590 178.1382 61 L 4.1911 7.6603 124.7005 55.5091 40.4694 178.2095 *62 T 4.1515 7.5856 114.4492 61.0951 69.1019 175.7340 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 E 8.44 4.22 0.00 1.94 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 2.19 2.26 0.00 13 A 7.73 4.23 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 14 R 8.64 3.89 0.00 1.96 2.23 0.00 3.17 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 15 K 7.90 4.11 0.00 1.81 1.84 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.52 7.81 16 L 7.48 3.98 0.00 1.96 1.64 0.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.33 4.25 0.00 3.88 3.94 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 18 P 0.00 4.22 0.00 2.15 2.13 0.00 3.80 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 2.12 2.18 0.00 19 V 7.15 3.56 2.21 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 0.83 0.00 0.00 1.02 0.00 0.00 20 E 8.34 4.04 0.00 2.17 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 2.33 2.56 0.00 21 L 10.44 4.02 0.00 1.86 1.75 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.52 3.94 0.00 2.37 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 2.30 2.35 0.00 23 K 9.18 3.81 0.00 1.65 1.98 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 24 L 7.80 4.06 0.00 1.80 1.70 0.92 0.93 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 25 V 7.70 3.79 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 0.91 0.00 0.00 0.92 0.00 0.00 26 R 8.44 4.03 0.00 2.03 1.90 0.00 3.18 0.00 0.00 3.22 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 27 E 8.30 3.89 0.00 2.12 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 2.28 2.31 0.00 28 K 8.37 4.26 0.00 1.89 1.75 0.00 1.54 0.00 0.00 1.84 0.00 0.00 3.27 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.45 7.81 29 K 7.98 4.32 0.00 1.75 1.66 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.57 7.81 30 R 7.92 3.89 0.00 1.91 2.03 0.00 3.24 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 31 E 7.66 3.96 0.00 1.78 1.90 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 2.21 2.04 0.00 32 L 7.05 3.69 0.00 1.50 1.27 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 33 M 10.63 4.12 0.00 1.97 2.29 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 2.63 2.58 0.00 34 E 6.94 4.76 0.00 2.07 1.90 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 2.41 2.26 0.00 35 L 8.37 4.30 0.00 1.68 1.71 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.46 4.70 0.00 1.76 1.96 0.00 3.30 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.45 0.00 37 F 7.62 4.71 0.00 3.10 2.98 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 0.00 0.00 0.00 38 Q 8.48 3.99 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 39 A 7.76 3.75 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 40 S 6.94 2.79 0.00 3.71 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 41 I 9.16 2.76 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 1.39 0.77 0.93 0.00 0.00 42 G 7.28 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 0.00 0.00 0.00 43 Q 7.98 4.14 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 44 L 9.40 4.37 0.00 1.99 1.67 0.95 0.95 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 45 S 7.70 4.97 0.00 3.97 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 46 Q 7.69 4.44 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 47 N 8.60 5.04 0.00 2.86 2.96 0.00 0.00 6.32 7.90 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 48 H 7.32 4.13 0.00 3.23 3.30 0.00 5.75 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 49 K 7.52 3.98 0.00 1.77 1.60 0.00 1.79 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.34 7.81 50 I 6.18 3.54 2.02 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 1.25 0.82 0.92 0.00 0.00 51 R 7.88 4.37 0.00 1.85 2.47 0.00 3.74 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 52 D 8.15 5.12 0.00 2.90 2.67 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 53 L 5.62 4.21 0.00 1.72 1.39 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 54 K 10.44 4.03 0.00 1.92 2.01 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.40 7.81 55 R 7.83 4.60 0.00 1.81 2.10 0.00 3.31 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 56 Q 7.97 4.36 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.54 2.28 0.00 57 I 7.74 3.54 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 1.35 0.74 0.92 0.00 0.00 58 A 8.29 3.99 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 59 R 8.64 4.03 0.00 1.79 1.95 0.00 3.44 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 60 L 7.40 3.25 0.00 1.58 1.54 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.66 4.19 0.00 1.67 1.65 0.92 0.79 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 *62 T 7.59 4.15 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.