NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8733 8.3549 109.7361 45.2716 0.0000 173.0045 2 K 4.2938 8.3846 119.3605 52.3457 33.5154 174.6264 3 K 4.3588 8.2978 124.2092 55.6741 35.1140 177.1588 4 S 4.5098 8.2369 117.1005 57.4037 65.7757 175.1622 5 K 3.9512 8.4321 121.3052 59.4615 31.8831 178.4501 6 A 3.9785 7.8939 120.6850 55.4435 18.3623 179.4757 7 T 3.8270 8.0171 114.3205 66.6929 68.4673 176.6986 8 K 3.9234 8.1540 121.4601 59.4072 32.2144 179.0172 9 K 3.9763 7.9642 118.7853 59.4881 31.9150 179.6080 10 R 3.9365 8.1025 118.2746 59.3043 30.0522 179.0742 11 L 3.9735 8.2712 118.8414 57.5701 41.5424 179.4573 12 A 3.9705 8.1718 120.8021 55.0365 18.3824 179.4534 13 K 3.8387 8.0857 118.0255 59.7719 32.0451 178.7406 14 L 4.1792 7.8420 117.8846 58.0004 41.8058 178.7881 15 D 4.4672 8.2085 117.8061 57.3510 41.2056 177.8212 16 N 4.3282 8.2620 117.6064 56.8388 38.7719 176.9087 17 Q 4.1119 8.3973 118.7032 58.4869 28.8130 177.5318 18 N 4.5927 7.5948 115.3395 53.6008 39.0361 174.8074 19 S 4.4362 7.0667 113.5434 57.9788 64.2466 173.8561 20 R 4.0718 8.0596 121.4136 55.4497 30.6099 176.0347 21 V 3.6271 8.0211 121.5327 61.3811 31.6509 173.9121 22 P 4.1054 0.0000 0.0000 63.0018 31.5866 176.6864 23 A 3.9636 8.8296 122.4061 55.4304 18.1543 180.2618 24 W 4.2915 8.1620 114.4318 59.7393 28.0614 178.5106 25 V 3.4741 6.8160 119.1719 65.7638 30.7590 177.9757 26 M 4.0051 7.7244 118.3904 58.2536 31.9348 178.7168 27 L 3.9989 7.8537 118.5458 57.7677 41.7477 179.2718 28 K 4.0537 8.3909 118.8725 59.3966 32.2919 178.0384 29 T 4.2529 8.0785 107.1002 60.9803 69.4653 174.0836 30 D 4.3027 8.4990 120.0528 55.4212 39.1195 170.4418 31 R 3.7274 7.8705 123.4322 55.6115 30.8139 177.1861 *35 R 3.8695 8.2612 119.4588 56.2635 29.8690 174.5206 36 N 4.5160 7.9778 121.9662 52.0136 37.6254 175.2325 37 H 4.3763 8.2604 121.0391 57.3164 29.0668 176.3536 38 K 4.5708 7.5704 119.0449 55.8923 32.4482 176.4827 39 R 4.0767 7.6120 119.1443 56.0177 30.1436 176.2979 40 R 4.5910 8.4897 123.1279 54.5212 32.7481 173.9822 41 H 4.9622 8.4029 124.0904 53.7582 31.7742 175.4145 42 W 4.1912 8.4476 122.9329 59.4539 28.1371 177.3593 43 R 3.7456 5.8655 117.7535 58.3644 29.8153 177.4149 44 R 3.8872 7.7705 115.5046 58.4742 30.2744 176.1911 45 N 4.9759 7.6603 114.1452 51.6434 41.0946 173.1117 46 D 4.5885 8.1727 117.4825 53.5810 43.9595 175.5512 47 T 4.3151 8.3232 116.9603 60.7474 70.6531 173.0571 48 D 4.6106 8.2213 121.6692 54.0416 42.5568 176.7453 49 E 4.1144 8.6336 118.4233 57.2530 29.1154 174.7085 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 3.87 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 0.00 0.00 0.00 2 K 8.38 4.29 0.00 1.81 1.74 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 1.33 1.43 7.81 3 K 8.30 4.36 0.00 1.86 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 8.24 4.51 0.00 4.07 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 5 K 8.43 3.95 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 1.50 7.81 6 A 7.89 3.98 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 8.02 3.83 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 8 K 8.15 3.92 0.00 1.96 2.00 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 1.48 7.81 9 K 7.96 3.98 0.00 2.04 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.70 7.81 10 R 8.10 3.94 0.00 2.03 1.98 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 11 L 8.27 3.97 0.00 1.81 1.72 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.17 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.84 0.00 1.85 1.99 0.00 1.66 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 1.50 7.81 14 L 7.84 4.18 0.00 1.85 1.75 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.21 4.47 0.00 2.81 2.85 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 16 N 8.26 4.33 0.00 2.84 2.95 0.00 0.00 7.25 6.30 0.00 0.00 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 8.40 4.11 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 18 N 7.59 4.59 0.00 3.01 2.84 0.00 0.00 7.21 8.72 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 19 S 7.07 4.44 0.00 4.02 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 20 R 8.06 4.07 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 1.55 1.57 0.00 21 V 8.02 3.63 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 0.68 0.00 0.00 0.86 0.00 0.00 22 P 0.00 4.11 0.00 1.41 2.02 0.00 3.50 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.57 0.00 23 A 8.83 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.29 0.00 3.57 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 6.82 3.47 1.78 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 0.90 0.00 0.00 -0.30 0.00 0.00 26 M 7.72 4.01 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.80 0.00 27 L 7.85 4.00 0.00 1.95 1.77 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.39 4.05 0.00 2.05 2.02 0.00 2.09 0.00 0.00 2.06 0.00 0.00 3.17 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.56 7.81 29 T 8.08 4.25 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 1.28 0.00 0.00 30 D 8.50 4.30 0.00 2.86 2.79 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 0.00 0.00 0.00 0.00 31 R 7.87 3.73 0.00 1.97 1.95 0.00 3.19 0.00 0.00 3.22 7.34 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 8.26 3.87 0.00 1.74 1.73 0.00 3.22 0.00 0.00 3.24 7.25 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 7.98 4.52 0.00 2.73 2.67 0.00 0.00 7.10 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 8.26 4.38 0.00 3.18 3.33 0.00 5.74 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.57 4.57 0.00 1.68 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.39 7.81 39 R 7.61 4.08 0.00 1.79 1.89 0.00 3.09 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 40 R 8.49 4.59 0.00 1.74 1.94 0.00 3.24 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 41 H 8.40 4.96 0.00 3.14 2.99 0.00 5.93 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.45 4.19 0.00 3.52 3.14 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 43 R 5.87 3.75 0.00 0.67 1.21 0.00 2.58 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 1.26 1.20 0.00 44 R 7.77 3.89 0.00 1.74 1.90 0.00 3.30 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 45 N 7.66 4.98 0.00 2.89 2.76 0.00 0.00 6.74 8.03 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 46 D 8.17 4.59 0.00 2.57 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.32 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 8.22 4.61 0.00 2.69 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 8.63 4.11 0.00 2.15 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 2.19 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.