NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 5.0501 8.3093 122.8367 58.2666 40.6492 173.8311 2 D 4.3682 8.4397 126.5986 50.2597 42.4129 174.2824 3 L 3.5105 8.1350 119.7017 56.7297 42.5439 179.9814 4 N 4.5093 7.7402 116.5502 55.5279 39.1320 176.4258 5 D 4.3683 8.2261 120.1275 57.7749 41.2512 179.0720 6 F 4.2949 7.9995 120.8808 61.2053 38.9731 176.8231 7 L 3.9967 8.1081 119.6833 57.6528 41.9070 177.9996 8 E 4.0231 8.0480 118.4338 58.5546 29.8819 177.8571 9 Q 4.0418 7.0321 117.8204 55.6630 29.6707 176.3032 *23 K 4.1110 8.3651 124.6207 55.3495 33.3872 175.7288 24 V 4.2014 8.1309 118.7305 62.2227 32.7503 179.4978 25 L 4.0999 8.1744 119.7621 58.4199 41.1642 184.3909 26 V 3.7709 8.2145 117.4959 64.8731 32.0409 181.2523 27 R 4.5822 7.8620 119.9570 55.4567 27.9571 178.5075 *29 E 4.3612 7.2813 121.3259 55.6970 32.5685 180.2195 30 A 3.8046 8.2434 122.5326 55.4685 19.5904 178.9711 31 I 4.0854 7.7177 120.4226 63.0818 36.7556 178.2129 32 I 3.5532 7.7179 122.9891 65.1214 37.4691 177.8238 33 N 4.4935 8.4602 115.5524 55.2346 38.4269 175.7495 34 S 4.5916 8.5470 117.6967 58.0047 65.0044 175.1624 *36 T 4.3106 8.2577 116.0423 61.5952 69.7621 175.5630 *38 K 4.1906 8.7366 117.5208 56.4118 33.9468 177.3861 39 E 3.9674 8.3590 118.1799 59.6861 29.2944 179.6478 40 R 3.7417 8.1484 117.8001 58.9616 29.8880 178.2569 41 A 4.3801 7.3507 118.0078 52.0791 19.8244 177.6306 42 K 4.4275 7.7617 113.6040 54.8188 34.7591 173.2137 43 P 3.9847 0.0000 0.0000 65.0171 31.8317 178.4279 44 E 4.2205 8.3608 112.4177 57.3459 29.0444 177.0968 45 I 4.4974 7.0549 110.0875 60.7707 39.0056 176.8843 46 I 4.0520 8.2914 124.2244 61.7637 34.0736 175.8929 47 K 4.4844 7.6670 123.5315 55.3618 35.4606 176.1354 48 G 3.7705 8.7828 104.6872 48.8625 0.0000 175.0325 49 S 4.1121 8.0608 114.1871 60.9072 62.3880 177.1065 50 R 3.8713 7.9075 119.5968 59.6288 29.8951 178.3473 51 K 3.7674 9.1625 118.5615 59.9459 31.9398 179.1295 52 R 3.8651 8.9324 118.0279 59.5409 30.1376 178.8811 53 R 3.8965 7.8152 117.8226 59.5589 30.0552 178.4791 54 I 3.6526 7.8837 119.4053 64.6812 36.8909 177.6786 55 A 3.9472 8.0560 119.9371 55.6738 18.2381 179.2621 56 A 4.1647 7.9421 119.0490 54.6821 18.5530 179.8712 57 G 3.7515 8.0311 104.3015 47.2547 0.0000 176.1015 58 S 4.8040 8.2257 117.4676 59.8917 63.5516 175.0527 59 G 3.9289 7.6086 105.2240 47.7345 0.0000 172.7630 *61 Q 4.1202 7.3233 121.6824 55.6690 30.8753 176.9765 62 V 3.5828 8.3799 119.6566 66.3344 31.5655 178.3200 63 Q 4.2859 8.2018 116.4758 59.0152 27.9829 178.5956 64 D 4.2571 8.1716 121.5054 57.3485 40.9722 178.4046 65 V 3.5775 7.7781 118.1030 66.2458 31.4457 177.2290 66 N 4.3267 8.6937 118.9135 57.2259 38.3879 178.0618 67 R 3.9384 7.9502 121.4881 61.5655 29.6885 180.4002 68 L 4.2208 8.1968 121.5375 57.7501 41.9497 179.2632 69 L 4.0228 8.3140 119.5870 57.6118 41.5602 179.1348 70 K 3.9069 8.2929 119.9415 59.6565 31.8638 178.4754 71 Q 4.1086 8.5450 117.5327 59.1337 28.7933 178.2131 72 F 3.3701 7.6305 120.2708 61.1402 39.4451 176.1509 73 D 3.8917 8.2080 117.6882 57.5350 40.6465 178.1070 74 D 4.3750 8.2701 119.7100 56.6499 41.7405 178.2976 *76 Q 4.5426 7.9330 119.1352 55.1551 30.4505 180.4432 77 R 4.1465 7.7351 120.2508 57.1732 27.2347 177.4106 *80 K 4.2032 7.7030 119.4035 53.4595 34.0798 176.9404 81 K 4.0367 7.9534 126.5635 58.1403 32.1714 174.2256 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 F 8.31 5.05 0.00 3.05 3.20 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 2 D 8.44 4.37 0.00 2.85 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.13 3.51 0.00 1.38 1.52 0.78 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 4 N 7.74 4.51 0.00 2.82 2.78 0.00 0.00 7.10 8.08 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 5 D 8.23 4.37 0.00 2.35 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 6 F 8.00 4.29 0.00 2.76 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.11 4.00 0.00 1.76 1.86 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.05 4.02 0.00 2.04 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 2.62 2.52 0.00 9 Q 7.03 4.04 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.47 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 *23 K 8.37 4.11 0.00 1.80 1.64 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 24 V 8.13 4.20 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 0.69 0.00 0.00 0.93 0.00 0.00 25 L 8.17 4.10 0.00 1.66 1.63 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.21 3.77 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 0.67 0.00 0.00 0.93 0.00 0.00 27 R 7.86 4.58 0.00 1.75 1.89 0.00 3.26 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 *29 E 7.28 4.36 0.00 2.29 1.94 0.00 0.00 0.00 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 2.46 0.00 30 A 8.24 3.80 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 31 I 7.72 4.09 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.94 0.93 0.00 0.00 32 I 7.72 3.55 1.87 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.51 0.87 0.00 0.00 33 N 8.46 4.49 0.00 2.77 2.88 0.00 0.00 7.05 7.48 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 34 S 8.55 4.59 0.00 3.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *36 T 8.26 4.31 4.22 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 1.24 0.00 0.00 *38 K 8.74 4.19 0.00 1.85 1.92 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.46 7.81 39 E 8.36 3.97 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 40 R 8.15 3.74 0.00 1.77 2.01 0.00 3.08 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 41 A 7.35 4.38 1.25 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 0.00 0.00 0.00 42 K 7.76 4.43 0.00 1.72 1.62 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.25 1.31 7.81 43 P 0.00 3.98 0.00 2.37 2.12 0.00 3.72 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 1.99 2.00 0.00 44 E 8.36 4.22 0.00 2.08 2.10 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 2.30 2.33 0.00 45 I 7.05 4.50 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.73 0.97 0.00 0.00 46 I 8.29 4.05 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 0.91 0.00 0.00 47 K 7.67 4.48 0.00 1.84 1.77 0.00 1.59 0.00 0.00 2.04 0.00 0.00 3.21 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.56 7.81 48 G 8.78 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 0.00 0.00 0.00 49 S 8.06 4.11 0.00 3.89 3.90 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 0.00 0.00 0.00 50 R 7.91 3.87 0.00 2.02 1.95 0.00 3.21 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.71 0.00 51 K 9.16 3.77 0.00 1.85 1.84 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.47 1.84 7.81 52 R 8.93 3.87 0.00 1.95 2.01 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 53 R 7.82 3.90 0.00 2.01 2.13 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 54 I 7.88 3.65 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.68 0.91 0.00 0.00 55 A 8.06 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 56 A 7.94 4.16 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 57 G 8.03 3.75 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 0.00 0.00 0.00 58 S 8.23 4.80 0.00 3.98 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 0.00 59 G 7.61 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 *61 Q 7.32 4.12 0.00 2.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 62 V 8.38 3.58 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 1.08 0.00 0.00 0.93 0.00 0.00 63 Q 8.20 4.29 0.00 2.32 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 64 D 8.17 4.26 0.00 2.99 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 65 V 7.78 3.58 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 1.09 0.00 0.00 0.94 0.00 0.00 66 N 8.69 4.33 0.00 2.93 2.89 0.00 0.00 7.22 7.66 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 67 R 7.95 3.94 0.00 1.83 1.94 0.00 3.28 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 68 L 8.20 4.22 0.00 1.73 1.93 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.31 4.02 0.00 1.94 1.73 0.93 0.72 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 70 K 8.29 3.91 0.00 1.84 2.00 0.00 1.49 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.52 7.81 71 Q 8.55 4.11 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 72 F 7.63 3.37 0.00 1.51 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 73 D 8.21 3.89 0.00 2.79 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 74 D 8.27 4.38 0.00 2.85 2.70 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 *76 Q 7.93 4.54 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 7.51 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 77 R 7.74 4.15 0.00 1.91 1.88 0.00 3.27 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 *80 K 7.70 4.20 0.00 1.80 1.73 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 81 K 7.95 4.04 0.00 1.62 1.69 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.16 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.