NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2850 8.3149 121.7955 56.0900 34.4056 176.3301 5 T 4.2882 8.3763 116.1931 61.9879 70.8945 174.4035 6 F 4.2347 9.7249 126.5577 61.9486 39.3894 177.2365 7 E 4.1903 8.4869 117.4814 59.3291 29.1676 179.1119 8 E 4.0596 8.0765 118.3491 59.3881 29.6852 179.0598 9 L 4.0490 7.9740 119.0190 57.5777 41.7196 179.4119 10 F 4.1200 8.0636 120.5385 61.5803 38.8123 177.4483 11 T 3.7357 7.7096 114.7195 66.2952 68.0259 176.6622 12 E 3.9671 7.9173 120.6703 59.4083 29.1096 179.3516 13 L 4.0029 7.6325 118.7419 57.7078 41.3926 179.5364 14 Q 3.7804 7.3496 117.0954 58.9237 28.8268 177.9855 15 H 4.3452 7.8275 118.6211 59.0967 29.7865 177.3723 16 K 4.0193 7.7310 118.1630 58.2455 31.7224 178.0556 17 A 4.3705 7.5352 119.5881 52.1819 18.9418 178.4742 18 A 3.9181 7.7871 120.2044 53.9467 19.7669 177.5606 19 N 4.8866 6.8386 112.1550 53.6378 38.4937 175.9024 *24 T 4.3333 8.2650 123.0941 64.6718 70.2317 176.2456 25 S 4.2948 7.9839 115.5982 59.1965 63.3516 175.4226 26 R 4.1905 8.5889 119.5084 56.6801 30.9703 177.0467 27 T 4.2137 8.4463 117.1446 62.8680 70.5280 174.5937 28 A 3.9154 7.6611 127.6157 52.3375 17.7312 177.7935 29 E 4.5922 8.4564 124.8750 55.9736 28.8275 177.1824 30 L 4.0717 7.8175 122.5931 57.4422 42.0994 178.5227 31 V 3.5249 7.8716 117.0171 66.3239 31.2436 177.2180 32 D 4.4419 7.4988 115.9990 57.3350 41.2231 178.1527 33 K 4.1414 7.8518 117.4466 57.4230 32.5141 176.8147 34 G 3.8533 8.4314 104.7207 44.1721 0.0000 174.2336 35 V 3.5608 8.4846 116.6718 66.3364 31.3422 177.1893 36 H 4.0272 8.2929 117.0899 59.3879 29.3311 176.9341 37 A 4.0653 7.9809 121.9715 55.2021 18.3160 179.5530 38 I 3.9056 7.7858 118.2562 64.2912 37.1854 178.8494 39 G 3.6115 8.6794 107.0805 47.6322 0.0000 175.8486 40 K 3.9548 7.8707 120.3287 59.2818 32.0185 179.5930 41 K 3.9147 7.6736 117.4412 59.3238 31.9271 179.6373 42 V 3.5959 7.8414 118.5846 66.0350 31.2839 178.3456 43 V 3.6604 7.9247 118.3086 65.7691 31.4903 177.8516 44 E 4.1351 8.4349 117.6524 59.4000 29.5776 178.9598 45 E 4.0480 8.7168 119.7463 58.9361 29.4861 179.1175 46 A 4.0520 8.1275 120.8590 55.1640 18.2304 179.5794 47 A 4.2404 7.6169 116.9496 55.2211 18.4948 179.4375 48 E 4.1349 7.9207 116.3977 59.2854 29.7596 179.2352 49 V 3.8739 8.3046 118.8635 65.7098 31.6389 178.3965 50 W 4.5913 8.1940 123.6914 58.6426 30.1970 176.9548 *52 A 4.3118 7.9703 122.0364 51.8039 19.8950 179.6314 53 A 4.0374 8.3597 117.9428 54.9420 18.7461 178.3024 54 E 4.1315 8.2566 115.7362 58.1449 30.0191 176.5819 55 Y 4.5606 7.9223 113.1547 57.8490 39.6472 174.8375 56 E 4.6465 8.0223 118.9167 54.2855 32.2351 175.8335 57 G 3.9739 8.1889 106.3629 43.9952 0.0000 174.6588 58 K 3.9607 8.4988 119.1448 59.4965 31.9038 179.1441 59 D 4.2865 8.0963 117.4418 57.3704 41.3032 177.9435 60 A 3.9899 8.0581 120.5654 55.1412 18.3583 179.3374 61 A 3.9913 8.1366 119.1485 55.1322 18.4077 179.7307 62 A 3.9563 8.1990 119.5428 55.2582 18.5984 179.4576 63 E 3.8966 8.4356 117.9730 59.6071 29.8186 178.9901 64 E 4.0946 8.2606 118.5470 59.3669 29.4420 179.4138 65 I 3.8510 8.0107 120.4491 64.2034 37.0642 178.5598 66 S 4.2260 8.4030 115.4120 61.6524 62.8061 176.6391 67 Q 4.0992 8.1203 121.3186 58.5833 28.4556 178.5271 68 L 4.0864 7.9683 121.2806 58.1326 42.0645 179.0654 69 L 4.1416 8.3178 119.1636 57.7997 41.5431 178.6462 70 Y 4.1417 8.3544 119.6981 61.3581 38.5310 178.2194 71 H 3.9453 8.0400 115.4092 58.4385 28.8064 177.7438 72 V 3.7419 7.6780 119.6937 66.0300 31.4493 177.7572 73 Q 4.2505 8.1222 117.0905 58.1829 29.9422 178.5041 74 V 3.6635 7.3771 121.1053 63.1185 28.3427 175.8933 *77 V 3.9663 7.7387 122.0399 62.2688 33.4242 177.4586 78 A 4.0469 8.3603 121.4853 54.4675 18.2332 178.1392 79 R 4.3822 7.9622 112.0265 55.4624 30.7814 176.4006 80 G 3.9115 7.7584 105.3977 46.4650 0.0000 173.7854 81 I 4.1795 7.8000 119.8803 60.0999 38.5301 176.2698 82 S 4.9176 8.6555 119.6232 56.6606 66.5163 175.4737 83 L 3.4046 8.1242 121.8850 57.7926 41.1559 179.5929 84 D 4.4651 7.9414 118.4803 57.3012 40.6061 178.2127 85 D 4.3356 7.4743 118.6627 57.3858 41.1391 178.8797 86 V 3.7330 7.4782 118.0681 66.3074 31.4552 177.6426 87 Y 4.4773 8.3652 116.5805 61.1911 37.4239 178.5146 88 A 4.0355 8.1489 121.0656 55.4601 18.8447 178.9099 89 H 4.5033 8.2377 114.2599 58.0609 28.7934 177.2376 90 L 4.2894 7.5486 118.0590 55.8019 41.3102 177.0782 91 L 4.3157 7.6269 124.5406 54.7961 41.9174 176.1507 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 K 8.31 4.28 0.00 1.76 1.94 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.50 7.81 5 T 8.38 4.29 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 6 F 9.72 4.23 0.00 3.13 3.19 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 0.00 0.00 0.00 7 E 8.49 4.19 0.00 2.20 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 0.00 2.77 2.70 0.00 8 E 8.08 4.06 0.00 2.24 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 2.43 2.45 0.00 9 L 7.97 4.05 0.00 1.68 1.73 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.06 4.12 0.00 3.06 3.10 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 11 T 7.71 3.74 4.35 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 1.17 0.00 0.00 12 E 7.92 3.97 0.00 2.11 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 2.58 2.49 0.00 13 L 7.63 4.00 0.00 1.57 1.58 0.92 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.35 3.78 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.98 0.00 0.00 0.00 0.00 0.00 1.82 1.60 0.00 15 H 7.83 4.35 0.00 3.17 3.41 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.73 4.02 0.00 1.70 1.84 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.65 7.81 17 A 7.54 4.37 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 18 A 7.79 3.92 1.26 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 0.00 0.00 0.00 19 N 6.84 4.89 0.00 2.44 1.94 0.00 0.00 6.95 7.42 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 *24 T 8.26 4.33 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 25 S 7.98 4.29 0.00 3.85 3.91 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 26 R 8.59 4.19 0.00 1.71 1.72 0.00 3.15 0.00 0.00 3.22 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 27 T 8.45 4.21 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 1.23 0.00 0.00 28 A 7.66 3.92 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 29 E 8.46 4.59 0.00 2.00 1.89 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 0.00 2.54 2.28 0.00 30 L 7.82 4.07 0.00 1.69 1.72 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.87 3.52 2.06 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 0.81 0.00 0.00 0.90 0.00 0.00 32 D 7.50 4.44 0.00 2.83 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 33 K 7.85 4.14 0.00 1.90 1.88 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.52 7.81 34 G 8.43 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 0.00 0.00 0.00 35 V 8.48 3.56 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 0.85 0.00 0.00 0.93 0.00 0.00 36 H 8.29 4.03 0.00 3.30 3.30 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.98 4.07 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 38 I 7.79 3.91 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 1.46 1.02 0.90 0.00 0.00 39 G 8.68 3.61 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 0.00 0.00 0.00 40 K 7.87 3.95 0.00 1.99 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.59 7.81 41 K 7.67 3.91 0.00 1.85 1.47 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.53 7.81 42 V 7.84 3.60 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 43 V 7.92 3.66 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 44 E 8.43 4.14 0.00 2.25 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 2.35 0.00 45 E 8.72 4.05 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 2.53 2.56 0.00 46 A 8.13 4.05 1.41 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 0.00 0.00 47 A 7.62 4.24 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.92 4.13 0.00 2.21 2.17 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 2.38 2.53 0.00 49 V 8.30 3.87 2.34 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 1.14 0.00 0.00 1.04 0.00 0.00 50 W 8.19 4.59 0.00 3.46 3.24 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 *52 A 7.97 4.31 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 0.00 0.00 0.00 0.00 0.00 53 A 8.36 4.04 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 4.13 0.00 2.04 1.74 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 1.71 1.66 0.00 55 Y 7.92 4.56 0.00 2.97 2.94 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 0.00 0.00 0.00 56 E 8.02 4.65 0.00 2.13 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 2.34 2.42 0.00 57 G 8.19 3.97 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 0.00 0.00 0.00 58 K 8.50 3.96 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.52 7.81 59 D 8.10 4.29 0.00 2.80 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 60 A 8.06 3.99 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 61 A 8.14 3.99 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 62 A 8.20 3.96 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 63 E 8.44 3.90 0.00 2.06 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 2.33 2.37 0.00 64 E 8.26 4.09 0.00 2.24 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 0.00 2.59 2.55 0.00 65 I 8.01 3.85 2.05 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 1.62 0.79 0.96 0.00 0.00 66 S 8.40 4.23 0.00 4.11 4.28 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.12 4.10 0.00 2.44 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.85 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 68 L 7.97 4.09 0.00 1.87 1.94 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.32 4.14 0.00 2.06 2.01 1.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.35 4.14 0.00 3.10 3.16 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 0.00 0.00 0.00 0.00 71 H 8.04 3.95 0.00 3.22 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.68 3.74 2.29 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 0.85 0.00 0.00 1.00 0.00 0.00 73 Q 8.12 4.25 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.11 0.00 0.00 0.00 0.00 0.00 2.13 2.44 0.00 74 V 7.38 3.66 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 0.95 0.00 0.00 0.26 0.00 0.00 *77 V 7.74 3.97 2.20 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 0.84 0.00 0.00 0.80 0.00 0.00 78 A 8.36 4.05 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 79 R 7.96 4.38 0.00 1.80 1.95 0.00 3.48 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 80 G 7.76 3.91 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 0.00 0.00 0.00 81 I 7.80 4.18 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 1.47 0.62 0.87 0.00 0.00 82 S 8.66 4.92 0.00 4.10 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 83 L 8.12 3.40 0.00 1.57 1.18 1.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.94 4.47 0.00 2.78 2.75 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 85 D 7.47 4.34 0.00 2.77 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 86 V 7.48 3.73 1.77 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 0.97 0.00 0.00 0.81 0.00 0.00 87 Y 8.37 4.48 0.00 3.05 2.87 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 88 A 8.15 4.04 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 89 H 8.24 4.50 0.00 3.39 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.55 4.29 0.00 1.84 1.73 1.06 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.63 4.32 0.00 1.64 1.53 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.