NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.2503 8.4445 119.1183 54.3509 29.7801 174.7020 7 P 4.6767 0.0000 0.0000 58.6020 33.6275 169.8023 8 V 3.6070 8.3180 116.0973 64.3584 31.6356 174.2651 9 D 4.5601 8.5005 128.4935 53.8816 39.2528 176.7050 10 L 4.0234 8.3584 123.9635 56.5479 42.3619 179.1880 11 G 3.6984 8.2503 107.4898 48.3214 0.0000 174.9400 12 L 4.3776 9.3335 118.9997 54.1100 41.4896 176.2208 13 L 4.1968 7.5817 121.4981 53.9905 42.6429 176.0757 14 E 4.4504 8.5139 125.3480 55.3780 29.3450 176.5854 15 E 4.2549 8.5994 123.8721 55.5000 30.3944 177.8086 16 D 4.4196 8.6541 120.2817 56.5042 41.2907 176.5767 17 D 4.8959 7.7720 115.3681 53.1318 40.7520 177.2113 18 E 4.1024 7.7161 121.4887 55.2659 26.9834 176.1233 19 F 4.2206 7.6539 116.2935 57.1160 38.6186 175.9236 20 E 4.5350 8.5728 120.9965 54.6508 29.3277 175.5750 21 E 3.3000 8.5720 124.5390 58.6469 29.7884 177.1444 22 F 4.7752 7.2920 118.0562 55.1483 40.0466 171.5952 23 P 4.3746 0.0000 0.0000 60.8062 31.5707 175.5396 *37 H 4.4721 8.5794 116.5594 57.7653 29.4211 174.1459 38 V 3.7133 8.1782 127.5079 61.6595 30.5973 173.4830 39 W 4.8269 8.3052 135.0000 59.1749 36.2527 170.2346 40 E 3.4416 7.6967 128.3705 56.2605 28.5606 173.8992 41 D 4.1609 7.6620 119.5825 54.0427 42.0868 180.7117 42 N 4.5233 8.8664 123.2808 53.1369 37.9877 175.0098 43 W 3.9858 8.8048 131.3305 60.3873 31.1743 178.8542 44 D 4.9546 8.0943 118.0629 52.8157 38.0826 175.4704 45 D 4.8194 9.1449 119.9750 53.6677 40.9667 175.9639 46 D 4.9955 8.1801 121.8103 53.7275 42.4702 177.0234 47 N 4.7874 7.9750 116.9947 53.6863 38.4958 177.2666 48 V 4.4312 9.0828 114.7695 60.9958 33.2068 173.2100 49 E 4.7541 8.3241 115.4012 57.0205 31.3568 174.9344 50 D 4.3621 8.1473 118.8157 53.6365 40.9851 173.5891 51 D 4.2991 8.8377 119.5062 56.3630 41.1158 177.6765 52 F 4.6684 8.0036 115.5295 56.7286 41.2463 175.9696 53 S 3.7536 9.0002 114.2774 62.7191 62.7436 176.1644 54 N 4.3169 7.9801 122.8442 51.4846 39.1963 176.1020 55 Q 4.0606 8.8041 126.5366 56.4238 27.4349 172.7094 56 L 3.9834 8.1460 124.0646 56.9832 42.7162 175.4689 57 R 4.5248 9.1232 130.3219 57.0863 28.1601 177.4041 58 A 4.0819 7.5954 117.5513 55.2572 18.4960 178.8048 59 E 3.9444 8.3051 116.9922 59.0931 29.5324 178.7679 60 L 3.8457 7.7997 119.4295 58.5486 42.0328 179.0154 61 E 3.9356 7.8382 116.6463 59.2712 29.6907 179.5226 62 K 4.2571 8.0350 116.3469 59.3450 33.3652 176.8641 63 H 4.4800 7.8597 122.0829 56.4383 29.3307 174.7789 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 6 Q 8.44 4.25 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 7 P 0.00 4.68 0.00 2.14 1.84 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.64 0.00 8 V 8.32 3.61 2.07 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 0.91 0.00 0.00 0.92 0.00 0.00 9 D 8.50 4.56 0.00 2.70 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 4.02 0.00 1.66 1.73 0.91 0.99 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 11 G 8.25 3.70 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 0.00 0.00 0.00 12 L 9.33 4.38 0.00 1.53 1.68 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.58 4.20 0.00 1.57 1.70 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.51 4.45 0.00 1.98 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 2.30 2.22 0.00 15 E 8.60 4.25 0.00 1.99 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 2.37 2.26 0.00 16 D 8.65 4.42 0.00 2.60 2.69 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 17 D 7.77 4.90 0.00 2.78 2.72 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 18 E 7.72 4.10 0.00 2.02 1.84 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 2.23 2.41 0.00 19 F 7.65 4.22 0.00 2.89 3.09 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 20 E 8.57 4.53 0.00 2.00 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 2.28 2.25 0.00 21 E 8.57 3.30 0.00 1.63 1.36 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 1.47 1.47 0.00 22 F 7.29 4.78 0.00 2.96 3.01 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 0.00 0.00 0.00 23 P 0.00 4.37 0.00 2.11 2.10 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 *37 H 8.58 4.47 0.00 3.24 3.30 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.18 3.71 2.04 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 0.77 0.00 0.00 0.96 0.00 0.00 39 W 8.31 4.83 0.00 3.33 3.09 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 40 E 7.70 3.44 0.00 1.29 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 41 D 7.66 4.16 0.00 2.60 1.75 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.87 4.52 0.00 3.04 2.79 0.00 0.00 5.86 8.88 0.00 0.00 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 W 8.80 3.99 0.00 3.45 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 44 D 8.09 4.95 0.00 2.85 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 45 D 9.14 4.82 0.00 2.73 2.97 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 0.00 0.00 0.00 46 D 8.18 5.00 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.97 4.79 0.00 2.67 2.98 0.00 0.00 6.98 7.68 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 48 V 9.08 4.43 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 0.63 0.00 0.00 0.93 0.00 0.00 49 E 8.32 4.75 0.00 2.01 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 2.11 2.24 0.00 50 D 8.15 4.36 0.00 2.95 2.81 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 0.00 0.00 0.00 51 D 8.84 4.30 0.00 2.59 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.00 4.67 0.00 2.85 3.01 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 0.00 0.00 0.00 53 S 9.00 3.75 0.00 3.93 3.77 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 54 N 7.98 4.32 0.00 2.71 2.93 0.00 0.00 7.19 7.69 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 55 Q 8.80 4.06 0.00 2.16 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 56 L 8.15 3.98 0.00 1.58 1.59 0.91 1.07 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 57 R 9.12 4.52 0.00 1.93 2.31 0.00 3.24 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 58 A 7.60 4.08 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 59 E 8.31 3.94 0.00 1.99 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 2.55 2.32 0.00 60 L 7.80 3.85 0.00 1.73 1.77 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.84 3.94 0.00 2.18 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 2.56 2.51 0.00 62 K 8.03 4.26 0.00 1.85 1.84 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.62 7.81 63 H 7.86 4.48 0.00 3.26 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.91 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.