NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8877 8.3549 109.7362 45.2522 0.0000 172.9600 2 K 4.3126 8.3961 119.5747 52.3228 33.6823 174.6288 3 K 4.3735 8.3188 124.0709 55.7177 35.1437 177.0158 4 S 4.5450 8.2032 116.8319 57.2261 66.0353 175.1959 5 K 3.9131 8.4247 121.4800 59.5403 31.8775 178.4181 6 A 4.0101 7.9027 120.6159 55.5153 18.4344 179.5766 7 T 3.8555 7.7643 113.9644 66.5967 68.4525 176.8434 8 K 3.9839 8.1068 121.7145 59.3508 32.2104 179.1465 9 K 4.0369 7.9118 118.5218 59.4025 31.9375 179.6460 10 R 3.9647 8.1012 118.4687 59.2399 30.0335 179.1185 11 L 4.0409 8.1827 118.6560 57.4850 41.5408 179.4245 12 A 3.9701 8.0410 120.9691 54.9872 18.2623 179.5962 13 K 3.8828 8.0905 118.1563 59.7306 32.0858 179.0485 14 L 4.1458 7.7326 118.1195 57.8063 41.6340 178.7314 15 D 4.4697 8.1291 118.1580 57.2043 41.3038 177.8271 16 N 4.3503 8.1499 117.7476 56.6194 38.7686 176.8405 17 Q 4.1518 8.2922 118.6352 58.1717 28.8679 177.4349 18 N 4.6283 7.5737 116.3135 53.2575 39.0773 175.4988 19 S 4.3592 7.1191 115.2017 57.4528 64.0035 174.0853 20 R 4.0024 8.1163 121.8161 55.7771 30.5557 176.2000 21 V 3.6492 8.0104 121.5707 61.3076 31.5953 173.9978 22 P 4.1550 0.0000 0.0000 62.7292 31.6500 176.7977 23 A 3.9803 8.7374 122.8672 55.3554 18.5988 180.0811 24 W 4.4393 7.9903 112.9048 59.4285 28.2820 178.6846 25 V 3.4519 6.9172 119.3078 65.8492 30.7044 177.9159 26 M 4.0455 7.5699 117.4019 58.2254 31.7245 178.6169 27 L 4.0784 7.8687 118.7198 57.2660 41.7576 179.2352 28 K 4.0215 8.1993 119.7700 59.4441 32.2468 177.7577 29 T 4.1485 8.0321 106.0805 61.3915 69.6968 173.8104 30 D 4.2798 8.0312 120.9830 55.5747 38.6756 170.4357 31 R 3.6170 8.1552 124.3978 55.5211 31.3548 177.2512 *35 R 3.7961 8.3619 119.8758 56.1334 30.1396 175.1424 36 N 4.5151 8.2479 122.8260 52.2593 37.7451 174.5256 37 H 4.5260 8.3378 121.1180 56.9292 29.0212 176.3420 38 K 4.5663 7.4949 118.3311 55.8420 32.5986 176.4771 39 R 4.0191 8.1181 118.8812 56.1343 30.0116 176.1677 40 R 4.5216 8.1896 123.3586 54.5685 32.1289 174.4299 41 H 4.9164 8.4816 124.7547 54.1359 31.5423 175.6670 42 W 4.1598 8.2499 121.8534 59.1922 28.3616 177.3984 43 R 3.8883 6.3014 117.8304 58.3259 29.8939 177.5446 44 R 3.8941 7.7153 115.3520 58.2687 30.2280 176.2776 45 N 4.9562 7.5201 113.9310 51.2691 41.1680 173.1606 46 D 4.7556 8.1861 117.5154 52.8653 44.0838 175.0882 47 T 4.3848 8.2468 116.0914 60.3961 71.0178 173.1717 48 D 4.5901 8.2720 121.6442 54.1152 42.3622 176.6439 49 E 4.1175 8.6179 118.4314 57.3411 29.4149 174.7172 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 1 G 8.35 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 0.00 0.00 0.00 2 K 8.40 4.31 0.00 1.81 1.73 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.43 7.81 3 K 8.32 4.37 0.00 1.85 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.41 7.81 4 S 8.20 4.54 0.00 4.07 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 3.91 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.90 4.01 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 7 T 7.76 3.86 4.46 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 1.25 0.00 0.00 8 K 8.11 3.98 0.00 1.98 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 9 K 7.91 4.04 0.00 2.06 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.66 7.81 10 R 8.10 3.96 0.00 2.04 1.98 0.00 3.31 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 11 L 8.18 4.04 0.00 1.83 1.72 0.92 0.89 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 12 A 8.04 3.97 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 13 K 8.09 3.88 0.00 1.96 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 L 7.73 4.15 0.00 1.87 1.74 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.13 4.47 0.00 2.83 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 16 N 8.15 4.35 0.00 2.96 2.93 0.00 0.00 7.20 6.78 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 17 Q 8.29 4.15 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 18 N 7.57 4.63 0.00 2.93 2.89 0.00 0.00 7.01 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 19 S 7.12 4.36 0.00 4.02 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 20 R 8.12 4.00 0.00 1.77 1.84 0.00 3.21 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 21 V 8.01 3.65 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 0.69 0.00 0.00 0.83 0.00 0.00 22 P 0.00 4.16 0.00 1.51 2.05 0.00 3.50 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.62 0.00 23 A 8.74 3.98 1.38 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 24 W 7.99 4.44 0.00 3.59 3.33 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 25 V 6.92 3.45 1.79 0.00 0.00 0.00 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 -0.22 0.00 0.00 26 M 7.57 4.05 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.79 0.00 27 L 7.87 4.08 0.00 1.93 1.77 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.20 4.02 0.00 2.10 1.97 0.00 2.15 0.00 0.00 2.00 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.49 7.81 29 T 8.03 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 1.27 0.00 0.00 30 D 8.03 4.28 0.00 2.97 2.76 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 31 R 8.16 3.62 0.00 1.94 1.95 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 *35 R 8.36 3.80 0.00 1.74 1.71 0.00 3.23 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 36 N 8.25 4.52 0.00 2.61 2.71 0.00 0.00 7.27 7.89 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 37 H 8.34 4.53 0.00 3.16 3.32 0.00 5.89 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.49 4.57 0.00 1.74 1.78 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.38 7.81 39 R 8.12 4.02 0.00 1.79 1.89 0.00 3.13 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 40 R 8.19 4.52 0.00 1.88 2.03 0.00 3.27 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 41 H 8.48 4.92 0.00 3.15 3.01 0.00 5.92 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.25 4.16 0.00 3.53 3.13 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 43 R 6.30 3.89 0.00 0.67 1.31 0.00 2.56 0.00 0.00 2.92 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.24 0.00 44 R 7.72 3.89 0.00 1.73 1.90 0.00 3.31 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 45 N 7.52 4.96 0.00 2.85 2.74 0.00 0.00 6.71 8.02 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 46 D 8.19 4.76 0.00 2.57 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.38 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 1.24 0.00 0.00 48 D 8.27 4.59 0.00 2.70 2.68 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 49 E 8.62 4.12 0.00 2.13 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 2.21 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.