NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2903 8.3149 121.7957 56.1005 34.4607 176.3799 5 T 4.2525 7.7548 115.4885 62.1102 70.8838 174.2083 6 F 4.2466 9.7329 126.6606 61.9245 39.5416 177.2459 7 E 4.1742 8.4611 117.5101 59.2755 29.2157 179.1562 8 E 4.0354 8.0843 118.3381 59.4931 29.6402 179.1282 9 L 4.0498 7.9041 118.8826 57.5889 41.7099 179.4439 10 F 4.0738 8.0111 120.3800 61.5575 39.1634 177.4602 11 T 3.7226 7.7048 115.0423 66.3428 68.0211 176.6289 12 E 3.9527 7.9284 120.4987 59.3986 29.0482 179.3606 13 L 3.9923 7.5148 118.9111 57.6849 41.3930 179.5329 14 Q 3.7831 7.3330 117.1427 58.9068 28.8164 177.9546 15 H 4.3350 7.8621 119.4468 59.1053 29.7837 177.3642 16 K 3.9975 7.7061 118.1519 58.2213 31.6682 178.0539 17 A 4.3654 7.5241 119.5250 52.2171 18.9629 178.4627 18 A 3.8789 7.7995 120.1156 53.9087 19.7398 177.5976 19 N 4.8787 6.8469 112.3681 53.6122 38.4880 175.8907 *24 T 4.3213 8.2067 122.7461 64.6114 70.2775 175.9307 25 S 4.2605 7.9822 115.7287 59.3278 63.5005 175.4084 26 R 4.1858 8.6438 119.7379 56.6786 30.9134 177.0245 27 T 4.2173 8.4297 117.1563 62.8770 70.5360 174.6411 28 A 3.9124 7.6232 127.7024 52.3535 17.4954 177.8726 29 E 4.5977 8.4733 125.1802 56.1057 28.7177 177.2710 30 L 4.0353 7.6660 121.2391 56.8839 42.1831 178.7610 31 V 3.5470 7.7733 117.5020 65.9036 31.4058 177.0544 32 D 4.4455 7.4785 116.7882 57.2772 41.2043 178.1188 33 K 4.1452 7.8468 117.5653 57.7674 32.5795 176.6705 34 G 3.8251 8.5022 104.5906 44.1300 0.0000 174.0435 35 V 3.5481 8.5361 116.5569 66.3508 31.3165 177.2430 36 H 3.9990 8.3414 117.0727 59.4844 29.1598 176.8389 37 A 4.0416 7.9920 121.8268 55.2125 18.2545 179.5586 38 I 3.8634 7.7725 118.1896 64.3911 37.2056 178.8569 39 G 3.6080 8.7105 106.9780 47.6240 0.0000 175.8739 40 K 3.9596 7.9404 120.5856 59.2568 32.0287 179.6049 41 K 3.8963 7.6643 117.5702 59.3250 31.9498 179.5322 42 V 3.5943 7.8905 118.5881 66.1406 30.9186 178.3050 43 V 3.6506 7.9030 118.1642 65.8336 31.3540 177.8432 44 E 4.0639 8.4647 117.6886 59.4458 29.5880 178.9652 45 E 4.0231 8.6979 119.8018 58.9774 29.4730 179.1155 46 A 4.0749 8.2843 120.7362 55.1755 18.2315 179.5676 47 A 4.1746 7.6039 117.2910 55.3943 18.5184 179.4380 48 E 4.1045 8.0578 116.3762 59.4167 29.7633 179.3711 49 V 3.8775 8.3989 118.7975 65.6640 31.7102 178.5423 50 W 4.6902 8.1735 124.5277 58.2489 30.2337 177.1581 *52 A 4.3109 7.9923 121.8914 51.6913 19.8779 179.7213 53 A 4.0494 8.2745 117.6844 55.0920 18.7833 178.5376 54 E 4.0787 8.2659 115.6202 58.6853 29.9092 176.8445 55 Y 4.4715 7.9285 113.3072 58.2388 39.4376 175.2204 56 E 4.5597 7.9847 118.8486 54.4662 31.9515 175.7769 57 G 3.9700 8.1805 106.5520 44.0715 0.0000 174.6622 58 K 4.0074 8.4634 118.9395 59.3608 31.8683 179.1917 59 D 4.2990 8.0856 117.5623 57.3574 41.3186 177.9034 60 A 3.9818 8.0669 120.5593 55.2086 18.3949 179.3005 61 A 3.9977 8.1038 119.0183 55.2466 18.4685 179.7726 62 A 3.9856 8.1985 119.3902 55.0801 18.5377 179.5318 63 E 3.8990 8.4927 118.0940 59.5980 29.7819 178.9200 64 E 4.0548 8.2982 118.6007 59.5430 29.4368 179.4613 65 I 3.8281 8.0592 120.1730 64.3020 37.0819 178.6260 66 S 4.2286 8.3370 115.2681 61.5950 62.8190 176.6559 67 Q 4.0987 8.1671 121.4530 58.5061 28.4322 178.4305 68 L 4.0560 8.0916 121.4389 58.2186 42.1329 178.9872 69 L 4.1242 8.2577 119.0861 57.9170 41.5464 178.7397 70 Y 4.0919 8.3177 119.4691 61.3519 38.5538 178.1881 71 H 3.9642 8.1027 115.3940 58.5859 28.7938 177.7687 72 V 3.7490 7.8145 119.6606 66.0661 31.4495 177.8021 73 Q 4.2511 8.0764 117.0484 58.1118 29.8765 178.5003 74 V 3.6702 7.3293 120.7179 62.9368 27.9721 175.8924 *77 V 3.9630 7.7497 122.0697 62.2637 33.4979 177.4312 78 A 4.0015 8.3416 121.7843 54.4564 18.2666 178.1611 79 R 4.3910 7.9749 112.0332 55.4743 30.5851 176.3200 80 G 3.9286 7.7039 105.3618 46.5391 0.0000 173.8905 81 I 4.2102 7.8047 119.7600 60.0004 38.6141 176.2262 82 S 4.8926 8.5805 119.4467 56.6033 66.5566 175.4791 83 L 3.3872 8.0684 121.9583 57.8058 41.1905 179.5800 84 D 4.4597 7.9249 118.4155 57.3294 40.6013 178.2390 85 D 4.3473 7.5733 118.4187 57.3750 41.1376 178.8925 86 V 3.7228 7.4624 118.0287 66.3243 31.4830 177.6213 87 Y 4.4708 8.3263 116.5842 61.2250 37.4375 178.5323 88 A 4.0531 8.1327 120.9093 55.4038 18.8137 178.8479 89 H 4.4948 8.2299 114.2722 58.0045 28.8656 177.2210 90 L 4.2569 7.5744 117.9962 55.9165 41.3519 177.1181 91 L 4.3134 7.6440 124.5537 54.7852 41.9046 176.1434 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 4.29 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 7.75 4.25 4.40 0.00 0.00 0.00 0.00 0.00 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 9.73 4.25 0.00 3.14 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 7 E 8.46 4.17 0.00 2.19 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 2.75 2.70 0.00 8 E 8.08 4.04 0.00 2.19 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 2.44 2.45 0.00 9 L 7.90 4.05 0.00 1.69 1.73 0.99 1.01 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 10 F 8.01 4.07 0.00 3.03 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 11 T 7.70 3.72 4.34 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 1.17 0.00 0.00 12 E 7.93 3.95 0.00 2.13 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 7.51 3.99 0.00 1.53 1.55 0.87 1.36 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 14 Q 7.33 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 6.97 0.00 0.00 0.00 0.00 0.00 1.86 1.56 0.00 15 H 7.86 4.34 0.00 3.12 3.40 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 7.71 4.00 0.00 1.69 1.83 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 1.45 1.63 7.81 17 A 7.52 4.37 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 18 A 7.80 3.88 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 6.85 4.88 0.00 2.49 1.98 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 8.21 4.32 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 4.26 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 8.64 4.19 0.00 1.69 1.72 0.00 3.15 0.00 0.00 3.22 7.94 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 8.43 4.22 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 7.62 3.91 1.38 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 0.00 0.00 0.00 29 E 8.47 4.60 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 2.29 0.00 30 L 7.67 4.04 0.00 1.70 1.73 1.06 0.87 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 31 V 7.77 3.55 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 7.48 4.45 0.00 2.80 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 4.15 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 8.50 3.83 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 0.00 0.00 0.00 35 V 8.54 3.55 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 1.03 0.00 0.00 0.94 0.00 0.00 36 H 8.34 4.00 0.00 3.29 3.31 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 7.99 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 38 I 7.77 3.86 1.99 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 0.71 0.91 0.00 0.00 39 G 8.71 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 7.94 3.96 0.00 1.97 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.58 7.81 41 K 7.66 3.90 0.00 1.82 1.50 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.65 1.54 7.81 42 V 7.89 3.59 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 0.95 0.00 0.00 43 V 7.90 3.65 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 1.01 0.00 0.00 0.94 0.00 0.00 44 E 8.46 4.06 0.00 2.24 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 2.45 2.35 0.00 45 E 8.70 4.02 0.00 2.20 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 2.55 2.57 0.00 46 A 8.28 4.07 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 47 A 7.60 4.17 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 48 E 8.06 4.10 0.00 2.19 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 0.00 2.38 2.50 0.00 49 V 8.40 3.88 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 1.01 0.00 0.00 50 W 8.17 4.69 0.00 3.52 3.18 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 *52 A 7.99 4.31 1.46 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 0.00 0.00 0.00 53 A 8.27 4.05 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.08 0.00 2.08 1.78 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 1.77 1.64 0.00 55 Y 7.93 4.47 0.00 2.96 2.95 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 0.00 0.00 0.00 56 E 7.98 4.56 0.00 2.14 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 2.34 2.42 0.00 57 G 8.18 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 8.46 4.01 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 3.00 0.00 0.00 0.00 0.00 1.54 1.51 7.81 59 D 8.09 4.30 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 8.07 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.00 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 3.99 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 63 E 8.49 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 8.30 4.05 0.00 2.23 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 2.58 2.55 0.00 65 I 8.06 3.83 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 0.80 0.96 0.00 0.00 66 S 8.34 4.23 0.00 4.13 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 0.00 67 Q 8.17 4.10 0.00 2.46 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 68 L 8.09 4.06 0.00 1.85 1.93 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.26 4.12 0.00 2.06 2.03 1.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.32 4.09 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 71 H 8.10 3.96 0.00 3.24 3.35 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 7.81 3.75 2.30 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 0.86 0.00 0.00 1.04 0.00 0.00 73 Q 8.08 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 7.12 0.00 0.00 0.00 0.00 0.00 2.15 2.49 0.00 74 V 7.33 3.67 2.01 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 0.99 0.00 0.00 0.23 0.00 0.00 *77 V 7.75 3.96 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 0.84 0.00 0.00 0.81 0.00 0.00 78 A 8.34 4.00 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 79 R 7.97 4.39 0.00 1.80 1.95 0.00 3.49 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 80 G 7.70 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 81 I 7.80 4.21 1.86 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 1.47 0.62 0.86 0.00 0.00 82 S 8.58 4.89 0.00 4.09 4.02 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 0.00 0.00 0.00 83 L 8.07 3.39 0.00 1.55 1.17 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.92 4.46 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 7.57 4.35 0.00 2.74 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 7.46 3.72 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 0.99 0.00 0.00 0.79 0.00 0.00 87 Y 8.33 4.47 0.00 3.03 2.88 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 0.00 0.00 0.00 0.00 88 A 8.13 4.05 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 0.00 0.00 0.00 0.00 0.00 89 H 8.23 4.49 0.00 3.39 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.57 4.26 0.00 1.86 1.74 1.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.64 4.31 0.00 1.64 1.53 0.91 0.59 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.