NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.4023 8.4293 120.2264 55.8813 30.1206 173.8673 5 P 4.5716 0.0000 0.0000 63.4755 33.4483 174.9477 6 C 4.4676 8.5306 120.2014 57.0434 28.3750 174.5009 *8 E 4.2513 7.6509 121.9613 56.1630 31.4819 177.7422 9 S 4.2329 7.9873 119.3103 61.1528 63.8617 176.6173 10 L 3.5004 7.6101 123.0006 57.4417 41.3923 179.1136 11 V 3.3640 7.1498 117.5484 65.7531 31.4281 178.2674 12 S 4.1507 7.8079 113.4948 61.6055 62.8595 176.1956 13 Q 3.8861 7.4858 121.9595 58.7270 28.1841 178.6439 14 Y 4.2264 7.1866 117.4697 61.2005 37.7611 178.4566 15 F 4.8344 7.7292 117.0005 59.5967 39.2594 177.8151 16 Q 4.0639 8.2767 118.4024 58.9013 28.5792 178.3244 17 T 4.2397 7.6318 117.8665 65.6122 68.5120 177.0804 18 V 3.3622 7.1856 119.1934 66.0700 31.6187 178.2484 19 T 3.9564 7.5504 115.6186 66.6025 68.1516 176.4766 20 D 4.4053 7.7710 120.4455 57.2885 40.7795 178.3812 21 Y 4.6968 7.7280 117.7886 61.1514 37.8649 178.7006 22 G 3.7169 8.2296 106.2558 47.4858 0.0000 175.9167 23 K 4.1304 7.9915 120.6106 59.1840 32.0137 179.1763 24 D 4.6913 8.4952 121.1577 56.9011 40.7672 178.7550 25 L 4.1060 8.1588 119.4016 57.6404 41.6375 179.1094 26 M 4.1137 8.0221 118.4337 58.4501 31.6892 178.0662 27 E 4.0686 8.0905 118.8804 58.9526 29.5038 178.8554 28 K 4.1562 7.7326 117.0414 58.0162 32.2560 178.6803 29 V 4.0911 7.3874 118.5871 63.3573 32.7360 178.0383 30 K 4.4535 8.4210 120.2957 57.9054 31.8249 179.5744 31 S 4.1912 7.7682 115.5758 60.9364 62.9991 174.6349 32 P 4.3692 0.0000 0.0000 63.9943 30.9682 176.9445 33 E 4.4333 7.7059 117.0232 56.8362 29.3244 177.7359 34 L 4.4016 7.2439 114.6222 56.2002 44.5020 174.9905 35 Q 4.1595 7.9569 121.1412 55.7701 29.9234 174.8814 36 A 4.3301 7.9864 124.5449 51.9803 18.4121 178.1743 37 E 3.7125 7.3116 122.9204 57.4870 30.6076 176.2090 38 A 3.4609 7.2211 119.2725 51.3404 20.4253 178.1410 39 K 3.0122 7.2494 118.0334 58.2082 32.8465 178.9904 40 S 4.1492 7.5122 114.0225 61.3992 63.0170 175.7659 41 Y 4.7786 7.3327 119.8234 60.6859 37.3389 178.0132 42 F 4.4875 7.8505 118.1715 60.1725 39.1338 176.5910 43 E 4.4386 8.1182 117.1999 58.0943 28.7856 178.5835 44 K 4.0407 8.5002 119.2509 59.6248 32.1639 179.6692 45 S 4.3374 8.4170 114.1905 60.8769 62.9312 176.1302 46 K 4.0650 7.5680 120.9624 58.7889 31.6600 177.4533 47 E 4.3260 8.0223 117.3124 56.3779 29.5347 176.8541 48 Q 4.5561 7.6546 116.7656 54.9412 30.8539 176.6715 49 L 4.3262 7.7685 119.1971 57.5935 42.6730 178.1927 50 T 3.9685 7.8441 115.5796 65.9405 68.5326 175.3285 51 P 4.3651 0.0000 0.0000 65.1060 31.2348 178.6098 52 L 4.0444 7.8169 117.1077 57.5667 41.7939 178.6665 53 I 3.9038 7.3941 118.3807 63.5585 37.9495 177.8226 54 K 4.0797 7.8329 118.8029 58.4354 31.4289 178.7948 55 K 4.0801 7.9661 119.5219 58.5045 32.0993 178.4187 56 A 4.3039 7.7647 121.3382 54.8405 18.2113 179.8130 57 G 3.4838 7.8777 104.9063 48.1053 0.0000 175.4393 58 T 4.1654 7.3427 112.0190 63.5357 67.2124 175.5402 59 E 3.8415 7.6927 120.1387 59.1467 29.8876 178.0317 60 L 4.0541 8.1474 118.5993 57.8970 41.8545 179.6058 61 V 3.5839 7.3958 117.1833 66.5119 31.2266 178.1194 62 N 4.1633 7.7766 115.3189 56.2856 38.4931 177.3291 63 F 4.5337 7.4772 118.1796 60.5933 39.0812 177.7475 64 L 4.3028 8.5205 119.1759 57.8358 41.3919 179.5778 65 S 4.0428 7.8343 113.0115 61.5829 62.3209 175.8521 66 Y 4.3628 7.4972 119.4444 61.1762 37.0664 178.5620 67 F 4.6127 8.1828 118.8204 60.5541 38.9832 177.9766 68 V 3.7587 7.9780 117.8941 65.8390 31.4477 178.0163 69 E 3.9969 8.3633 118.3906 59.3950 29.2305 178.6694 70 L 4.5517 8.0865 115.4322 55.4716 41.9682 178.0839 71 G 4.1073 7.6738 103.6039 44.7207 0.0000 174.5696 72 T 4.4548 7.7446 116.9217 65.2685 69.9036 176.4596 73 Q 4.0392 7.7592 118.1432 58.6743 28.8402 176.5331 74 P 4.3547 0.0000 0.0000 65.2919 31.7220 177.6351 75 A 4.1416 7.9376 120.2410 55.0875 18.7209 177.2560 76 T 4.1090 7.6596 115.9774 63.9838 68.4471 174.3592 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 4 E 8.43 4.40 0.00 1.97 1.99 0.00 0.00 0.00 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 2.31 0.00 5 P 0.00 4.57 0.00 2.19 2.08 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.05 0.00 6 C 8.53 4.47 0.00 2.96 2.91 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 *8 E 7.65 4.25 0.00 1.99 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 9 S 7.99 4.23 0.00 3.97 4.07 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 10 L 7.61 3.50 0.00 1.48 1.18 0.93 0.74 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 11 V 7.15 3.36 2.09 0.00 0.00 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 0.94 0.00 0.00 12 S 7.81 4.15 0.00 4.06 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.49 3.89 0.00 1.80 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 14 Y 7.19 4.23 0.00 2.49 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.73 4.83 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.28 4.06 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 17 T 7.63 4.24 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 18 V 7.19 3.36 2.39 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 1.19 0.00 0.00 1.26 0.00 0.00 19 T 7.55 3.96 4.38 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 1.21 0.00 0.00 20 D 7.77 4.41 0.00 2.72 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 21 Y 7.73 4.70 0.00 3.26 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 22 G 8.23 3.72 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 0.00 0.00 0.00 23 K 7.99 4.13 0.00 2.05 1.88 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.73 7.81 24 D 8.50 4.69 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.16 4.11 0.00 1.88 1.73 0.94 0.60 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 26 M 8.02 4.11 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 27 E 8.09 4.07 0.00 2.29 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 2.33 2.63 0.00 28 K 7.73 4.16 0.00 1.86 1.86 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.65 7.81 29 V 7.39 4.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 30 K 8.42 4.45 0.00 1.88 1.89 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.47 7.81 31 S 7.77 4.19 0.00 3.98 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.24 2.30 0.00 3.68 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 2.20 2.03 0.00 33 E 7.71 4.43 0.00 2.30 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 34 L 7.24 4.40 0.00 1.71 1.68 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.96 4.16 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.57 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 36 A 7.99 4.33 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 37 E 7.31 3.71 0.00 1.99 1.66 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 0.00 2.20 2.22 0.00 38 A 7.22 3.46 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.25 3.01 0.00 1.48 1.60 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.04 7.81 40 S 7.51 4.15 0.00 4.03 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 41 Y 7.33 4.78 0.00 3.27 3.04 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 42 F 7.85 4.49 0.00 3.15 3.08 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 0.00 0.00 0.00 43 E 8.12 4.44 0.00 2.23 2.03 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 2.41 2.48 0.00 44 K 8.50 4.04 0.00 1.95 1.94 0.00 2.10 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.81 7.81 45 S 8.42 4.34 0.00 4.07 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 46 K 7.57 4.06 0.00 2.05 1.98 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.48 7.81 47 E 8.02 4.33 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 48 Q 7.65 4.56 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 49 L 7.77 4.33 0.00 1.88 1.80 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.84 3.97 4.25 0.00 0.00 0.00 0.00 0.00 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 51 P 0.00 4.37 0.00 2.16 2.09 0.00 3.67 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 2.26 2.17 0.00 52 L 7.82 4.04 0.00 1.61 1.73 0.93 0.81 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 53 I 7.39 3.90 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 1.52 1.35 0.98 0.00 0.00 54 K 7.83 4.08 0.00 2.11 1.83 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.47 7.81 55 K 7.97 4.08 0.00 2.03 1.92 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.43 7.81 56 A 7.76 4.30 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 57 G 7.88 3.48 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 0.00 0.00 0.00 58 T 7.34 4.17 4.18 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 1.21 0.00 0.00 59 E 7.69 3.84 0.00 2.11 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 60 L 8.15 4.05 0.00 1.78 1.73 0.94 0.78 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 61 V 7.40 3.58 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 0.98 0.00 0.00 0.93 0.00 0.00 62 N 7.78 4.16 0.00 2.60 2.74 0.00 0.00 7.15 8.13 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 63 F 7.48 4.53 0.00 3.27 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.52 4.30 0.00 1.91 1.80 1.19 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.83 4.04 0.00 3.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.50 4.36 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.18 4.61 0.00 3.34 3.03 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 68 V 7.98 3.76 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 1.06 0.00 0.00 1.10 0.00 0.00 69 E 8.36 4.00 0.00 2.33 2.05 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 2.34 2.58 0.00 70 L 8.09 4.55 0.00 1.84 1.79 1.12 0.81 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 71 G 7.67 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.74 4.45 4.30 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 1.23 0.00 0.00 73 Q 7.76 4.04 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 74 P 0.00 4.35 0.00 2.06 2.13 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.10 0.00 75 A 7.94 4.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.66 4.11 4.36 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.