NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2854 8.0327 115.2437 61.9306 69.6280 175.5294 4 K 3.6917 8.1151 122.0822 58.5014 31.9778 176.9007 5 K 3.9026 8.1721 119.7228 59.3711 32.6033 177.7337 6 E 3.8953 8.1038 119.0616 59.3472 29.6670 178.4387 7 R 3.8999 8.1722 118.8358 59.6723 30.0063 178.5031 8 I 3.8915 8.0723 119.3849 64.2741 37.0587 178.1989 9 A 4.0090 8.2022 121.7004 55.2737 17.9727 179.7885 10 I 3.6910 7.5878 117.2217 64.6213 37.2615 178.2611 11 Q 4.1960 8.0219 117.7693 59.1944 28.9729 178.9961 12 R 4.4220 8.4243 119.2591 59.1626 29.5678 179.2484 13 S 4.0736 8.1461 108.9622 59.5150 62.1631 175.3750 *15 A 4.3576 7.9331 124.9389 51.9152 20.5099 179.5788 16 E 4.2138 8.3959 115.0634 59.7611 29.4870 179.4947 17 E 4.0029 8.0620 117.3098 59.2023 29.5222 179.1766 18 A 4.0054 8.0099 120.3475 55.2636 18.4564 179.4999 19 L 4.0881 8.4067 117.9655 57.9202 41.6347 179.9528 20 G 3.6664 8.3290 105.7315 47.7442 0.0000 175.6710 21 K 3.9931 8.0905 121.8544 59.1318 32.2638 179.0697 22 L 3.9465 7.9447 119.3873 57.6920 41.6515 179.5354 23 K 3.9256 8.4566 118.6296 59.3522 31.7429 179.0092 24 A 3.9506 8.0813 120.4614 55.3066 18.5060 179.4844 25 I 3.5060 7.4166 117.8802 64.4208 37.2354 178.4854 26 R 3.3416 7.3203 119.2554 59.4932 29.6022 178.4279 27 Q 4.0769 7.6096 115.8487 58.0800 29.0488 177.7086 28 L 4.3066 7.6615 118.9108 54.1642 42.0147 176.3029 29 C 4.3515 7.3548 118.1828 60.8488 28.6813 173.9553 30 G 4.1162 9.0548 110.9830 45.4279 0.0000 175.1509 31 A 3.9929 7.9222 124.3734 54.8934 18.3454 179.3705 32 E 4.3262 8.0321 110.8653 57.7823 31.3832 176.4763 33 D 4.8903 7.5516 125.9346 54.1465 39.0079 178.8979 *39 D 4.4976 8.6185 129.3611 55.0615 42.0190 174.8487 *41 Q 4.5925 8.2843 121.5959 56.0823 30.9682 176.7197 42 E 3.9462 8.2887 118.3200 59.3718 29.5499 179.0253 43 V 3.7905 7.3794 118.4819 66.2296 31.5556 177.8594 44 E 4.0121 8.2202 117.8293 59.1953 29.2357 179.0015 45 I 3.6095 7.9780 120.1654 64.2589 37.1851 178.3169 46 W 4.1443 7.8869 119.0270 60.1591 28.8554 178.3524 47 T 3.9720 8.3180 115.9864 67.0132 67.9378 175.9619 48 N 4.2906 8.3671 118.5405 56.7928 39.0333 176.9768 49 R 3.8780 8.2505 120.3743 59.2868 30.0327 178.5215 50 I 3.7823 8.3754 120.2826 64.1599 37.0475 178.2057 51 K 3.9360 8.3681 120.7267 59.4028 32.0430 178.1667 52 E 3.9333 8.3157 119.6047 59.4420 29.5063 178.6610 53 L 4.0203 7.8849 120.1194 58.0933 42.1747 178.5406 54 E 3.7119 8.5026 119.5085 59.3645 29.6235 178.3993 55 D 4.4659 8.5091 119.3641 57.0971 40.8169 178.7340 56 W 4.0193 8.2519 128.6972 60.3641 30.5455 177.8272 57 L 3.2437 7.8939 117.8387 57.4002 41.1362 179.1617 58 W 5.0505 7.5756 115.3381 57.5283 29.4435 177.7936 59 G 4.0273 7.8689 104.8168 45.3253 0.0000 174.0600 60 E 4.5061 8.1412 117.4861 55.5631 32.0327 176.2344 61 S 3.5869 6.7929 113.1950 56.4064 63.6343 173.1629 62 P 4.2658 0.0000 0.0000 64.6401 30.9972 177.4264 63 I 4.2716 7.1457 109.7307 60.1979 37.9276 175.5443 64 A 4.2459 7.7462 129.7601 52.8476 18.1019 177.7221 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 3 T 8.03 4.29 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 4 K 8.12 3.69 0.00 1.94 1.80 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.56 7.81 5 K 8.17 3.90 0.00 1.86 1.79 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.50 7.81 6 E 8.10 3.90 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 7 R 8.17 3.90 0.00 1.88 2.07 0.00 3.41 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 8 I 8.07 3.89 2.01 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 1.46 0.61 0.94 0.00 0.00 9 A 8.20 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.59 3.69 2.06 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 1.54 0.70 0.93 0.00 0.00 11 Q 8.02 4.20 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 12 R 8.42 4.42 0.00 2.11 2.19 0.00 3.36 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 13 S 8.15 4.07 0.00 4.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *15 A 7.93 4.36 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 4.21 0.00 2.32 2.13 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 2.81 2.58 0.00 17 E 8.06 4.00 0.00 2.09 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 2.36 2.55 0.00 18 A 8.01 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 4.09 0.00 1.95 1.82 1.09 0.92 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 20 G 8.33 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 0.00 0.00 0.00 21 K 8.09 3.99 0.00 1.91 1.98 0.00 1.50 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.50 7.81 22 L 7.94 3.95 0.00 1.95 1.80 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.46 3.93 0.00 1.98 1.86 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.57 7.81 24 A 8.08 3.95 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 25 I 7.42 3.51 1.43 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 1.19 0.55 -0.17 0.00 0.00 26 R 7.32 3.34 0.00 1.76 2.01 0.00 3.30 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 27 Q 7.61 4.08 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 28 L 7.66 4.31 0.00 1.69 1.62 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.35 4.35 0.00 3.09 2.92 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 30 G 9.05 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.92 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 4.33 0.00 2.09 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 0.00 2.28 2.28 0.00 33 D 7.55 4.89 0.00 2.87 1.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.62 4.50 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.28 4.59 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.24 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 42 E 8.29 3.95 0.00 2.08 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 2.55 2.48 0.00 43 V 7.38 3.79 2.14 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 1.13 0.00 0.00 0.99 0.00 0.00 44 E 8.22 4.01 0.00 2.21 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 2.43 2.43 0.00 45 I 7.98 3.61 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 0.58 0.00 0.00 46 W 7.89 4.14 0.00 3.54 3.22 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 0.00 47 T 8.32 3.97 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 48 N 8.37 4.29 0.00 2.90 2.93 0.00 0.00 6.93 7.37 0.00 0.00 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 R 8.25 3.88 0.00 1.87 1.81 0.00 3.31 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 50 I 8.38 3.78 2.04 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.87 0.99 0.00 0.00 51 K 8.37 3.94 0.00 1.92 1.99 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.51 7.81 52 E 8.32 3.93 0.00 2.19 2.15 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 2.30 2.33 0.00 53 L 7.88 4.02 0.00 1.81 1.81 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.50 3.71 0.00 2.24 2.13 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 2.58 2.52 0.00 55 D 8.51 4.47 0.00 2.99 2.78 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 56 W 8.25 4.02 0.00 3.39 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.89 3.24 0.00 0.80 0.30 0.60 0.67 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 58 W 7.58 5.05 0.00 3.28 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 59 G 7.87 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.14 4.51 0.00 1.71 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 2.25 2.23 0.00 61 S 6.79 3.59 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.27 0.00 2.03 2.15 0.00 3.42 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 63 I 7.15 4.27 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.56 0.92 0.00 0.00 64 A 7.75 4.25 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.