NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.7097 8.5598 114.8062 58.4928 64.4716 172.6853 -1 N 4.5262 7.9997 118.2892 50.8870 39.5315 175.0528 0 A 4.0206 9.1831 119.5805 53.8954 19.2673 180.2569 0 E 4.0506 9.3631 115.9805 57.9954 30.0673 179.0569 3 R 4.0010 8.2416 117.9032 59.5734 29.9298 178.9194 4 H 4.2742 8.0315 115.4689 58.9988 28.8546 177.6433 5 Q 4.0169 8.1114 119.3819 59.2367 28.5754 178.3569 6 H 4.1881 8.1735 118.6721 59.0854 29.9099 176.8786 7 L 3.9498 8.1628 122.2609 58.0991 41.9572 178.7022 8 L 3.9937 8.2026 120.4853 58.2161 42.0820 178.5455 9 S 4.7272 8.4707 114.7866 61.0655 62.2515 176.0666 10 E 3.9065 8.6045 121.3668 59.7215 29.0770 179.0168 11 Y 3.8586 7.9600 116.7801 60.6179 38.0377 178.2114 12 Q 4.0262 8.2996 119.3243 59.0378 28.8791 178.3893 13 Q 4.0041 8.1038 118.9673 59.2908 28.8429 179.3928 14 I 3.6454 7.5635 120.1887 64.4705 37.1071 178.3975 15 L 4.1607 8.3157 121.4308 58.4889 41.9878 179.1347 16 T 4.0689 8.3042 116.0982 66.3421 68.0900 176.8683 17 L 3.9730 7.9365 120.2600 57.8292 41.8652 178.7390 18 S 4.1225 8.4224 112.1370 61.6894 62.5172 175.9575 19 E 4.1471 8.4542 120.9598 59.5561 29.2550 179.6209 20 Q 3.6879 7.6505 114.2561 57.3374 28.9247 178.2062 *22 L 4.1743 7.8709 124.4031 54.9356 43.9085 179.2642 23 V 3.5995 7.6733 118.1112 64.3788 31.5977 178.0468 24 L 3.8874 7.7838 119.4138 57.4492 41.2695 178.9827 25 A 2.5800 7.5229 118.4285 55.2552 18.2930 179.4361 26 T 4.0413 7.2904 111.0876 64.6015 69.6930 175.3587 27 E 4.7253 7.9849 117.1858 56.3035 32.0478 177.0674 28 G 3.5682 7.6902 120.5495 45.7615 0.0000 171.5465 29 N 4.2004 8.7650 116.3143 53.5741 36.0490 175.8629 30 W 4.3491 8.3054 118.7392 58.7572 29.6969 177.0292 31 D 4.6779 8.1438 117.2449 54.7759 40.3446 178.4110 32 A 3.9991 7.8955 121.2868 54.6962 18.0643 179.0643 33 L 3.9955 7.7524 119.4046 58.0709 41.9308 179.1481 34 V 4.5796 7.6605 118.8876 65.1033 31.4425 177.6886 35 D 4.4893 7.4673 117.4176 57.4778 41.1069 178.2798 36 L 4.1858 7.9317 118.9139 57.4734 41.5150 178.6651 37 E 3.9134 7.6356 117.6176 57.9291 30.2730 178.4595 *39 T 4.2639 7.8331 115.6575 63.4747 70.8696 175.4037 40 Y 4.1261 8.7131 122.0858 61.0229 38.7423 178.5434 41 L 3.9546 8.3777 119.6926 57.3525 41.6576 179.4098 42 K 4.0725 7.8693 117.7201 58.6209 32.3136 179.0064 43 A 3.9046 7.7493 121.2034 54.9562 18.2547 179.7769 44 V 3.2813 7.4861 116.8230 65.9815 31.5050 177.8980 45 E 3.8625 8.0190 119.1379 59.2889 29.2504 178.7426 46 S 4.1696 7.7970 112.2071 61.1123 62.7948 176.0183 47 T 3.9848 7.6092 118.2924 66.3564 68.0936 176.6188 48 A 3.9994 8.0020 122.7034 55.4055 18.3507 179.4593 49 N 4.3262 8.2331 114.6008 55.9104 38.4633 177.3439 50 I 3.6984 7.4946 121.5307 65.0964 37.0458 178.2858 51 T 4.0010 7.8059 114.3988 66.6111 68.6314 176.4552 52 I 3.8693 7.5151 121.8005 64.5190 37.0314 178.7863 53 S 4.2369 8.3149 113.6828 61.0171 62.8641 175.6226 54 S 4.4605 7.4003 115.1472 57.9486 63.1884 173.6815 55 C 4.3008 7.4989 123.6160 58.8321 31.7362 173.0295 56 S 4.1044 8.6290 124.0795 61.7603 62.8953 174.5410 57 S 4.0904 7.9431 115.3788 58.5844 62.3836 175.3589 58 L 4.3379 8.3574 131.2564 55.2381 41.7094 178.3491 *60 L 4.2061 8.0954 120.3385 54.6541 44.0448 178.1556 61 Q 3.9824 8.3206 119.1655 59.1985 28.7080 177.7791 62 D 4.3683 8.3697 120.2983 57.7325 40.9743 178.9164 63 L 4.0464 7.7212 119.7517 57.8273 42.1647 178.6202 64 L 4.0186 8.3872 119.6208 57.7089 41.5256 179.6455 65 R 3.9096 7.8625 117.6652 59.0651 29.9218 178.4923 66 E 3.9275 7.9213 119.1250 59.5116 29.5379 179.2185 67 K 4.0239 8.1921 118.3435 59.2156 32.0621 179.1964 68 L 3.9198 8.3363 121.2239 58.1702 41.9900 179.0750 69 R 3.8972 8.2064 118.4546 59.0644 29.8609 178.4535 70 A 3.9670 7.8523 120.5628 55.1348 18.3469 179.5479 71 I 3.6411 7.9777 118.6005 64.5771 37.0915 178.7587 72 L 3.9825 8.0707 119.6836 57.9597 41.5153 179.2836 73 D 4.3570 8.2903 118.9202 57.3534 40.6190 178.7081 74 N 4.3530 8.4906 117.3015 56.3973 38.6945 177.2104 75 E 3.9899 8.4196 120.1500 59.5644 29.6524 179.6027 76 I 3.7382 8.0631 120.0086 64.4030 37.2055 178.1537 77 E 4.0072 8.2716 120.1692 58.9918 29.3666 178.8824 78 I 3.6847 8.1109 120.3204 64.4850 37.2357 178.5108 79 K 3.9295 7.9508 118.9229 59.3320 31.6432 179.4815 80 R 3.8367 7.9186 118.5839 59.5001 30.0509 178.1800 81 L 3.8536 7.8761 118.7940 58.1631 41.5727 179.5152 82 L 3.9414 8.3326 120.1895 57.6904 41.9533 178.6301 83 Q 3.8749 8.1442 119.7786 59.0411 28.9690 177.8989 84 L 3.8812 8.7432 122.4998 58.1642 42.0705 178.7056 85 R 3.8799 8.1417 118.6357 60.2558 29.9423 177.6532 86 L 3.8676 8.4156 118.6179 57.4933 41.4609 179.5642 87 D 4.4136 9.1391 118.7004 58.3340 41.0905 179.2471 88 R 4.0179 8.9714 119.6794 57.7977 29.7581 178.9729 89 L 3.8636 8.9027 119.1257 58.0873 41.9399 180.2092 90 S 4.0511 8.4300 114.3789 61.7169 62.9894 176.0899 91 D 4.3559 7.6482 121.6458 57.3441 40.6550 177.8114 92 L 3.6104 7.8352 117.3383 59.6378 41.9362 179.3597 93 V 3.4503 7.9247 119.7689 63.9828 31.3680 176.6105 94 G 3.7507 7.7777 113.2183 45.5058 0.0000 172.8643 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 -2 S 8.56 4.71 0.00 4.21 3.94 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 -1 N 8.00 4.53 0.00 3.02 3.01 0.00 0.00 5.79 6.50 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 A 9.18 4.02 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0 E 9.36 4.05 0.00 1.73 1.87 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 2.37 2.26 0.00 3 R 8.24 4.00 0.00 1.84 2.04 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 4 H 8.03 4.27 0.00 3.17 3.33 0.00 5.64 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 5 Q 8.11 4.02 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 6 H 8.17 4.19 0.00 3.33 3.49 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.16 3.95 0.00 1.94 1.82 1.10 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.20 3.99 0.00 1.79 1.82 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.47 4.73 0.00 3.87 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 0.00 10 E 8.60 3.91 0.00 2.10 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 11 Y 7.96 3.86 0.00 3.08 3.02 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 12 Q 8.30 4.03 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 13 Q 8.10 4.00 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 14 I 7.56 3.65 1.72 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.54 0.78 0.00 0.00 15 L 8.32 4.16 0.00 1.86 1.72 0.98 0.88 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 16 T 8.30 4.07 4.55 0.00 0.00 0.00 0.00 0.00 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 17 L 7.94 3.97 0.00 2.00 1.94 1.01 0.76 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 18 S 8.42 4.12 0.00 3.96 4.20 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 19 E 8.45 4.15 0.00 2.19 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 2.33 2.52 0.00 20 Q 7.65 3.69 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.38 0.00 0.00 0.00 0.00 0.00 2.37 2.67 0.00 *22 L 7.87 4.17 0.00 1.69 1.86 0.89 0.88 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 23 V 7.67 3.60 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 0.78 0.00 0.00 0.87 0.00 0.00 24 L 7.78 3.89 0.00 1.50 1.72 0.84 0.56 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 25 A 7.52 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.29 4.04 4.14 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 0.00 0.00 1.17 0.00 0.00 27 E 7.98 4.73 0.00 1.93 1.85 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 2.14 2.19 0.00 28 G 7.69 3.57 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 0.00 0.00 0.00 29 N 8.77 4.20 0.00 2.64 2.72 0.00 0.00 6.86 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 30 W 8.31 4.35 0.00 3.28 3.17 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 0.00 31 D 8.14 4.68 0.00 2.89 2.98 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 0.00 0.00 0.00 32 A 7.90 4.00 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 33 L 7.75 4.00 0.00 1.89 1.92 0.75 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.66 4.58 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 1.13 0.00 0.00 1.08 0.00 0.00 35 D 7.47 4.49 0.00 2.91 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 36 L 7.93 4.19 0.00 1.79 1.73 0.88 0.81 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 37 E 7.64 3.91 0.00 2.07 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 2.37 2.38 0.00 *39 T 7.83 4.26 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 1.23 0.00 0.00 40 Y 8.71 4.13 0.00 3.04 3.17 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 0.00 41 L 8.38 3.95 0.00 1.75 1.70 0.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.87 4.07 0.00 1.78 1.82 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.49 7.81 43 A 7.75 3.90 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 44 V 7.49 3.28 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 0.82 0.00 0.00 0.27 0.00 0.00 45 E 8.02 3.86 0.00 2.14 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 2.28 2.29 0.00 46 S 7.80 4.17 0.00 3.89 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 47 T 7.61 3.98 4.14 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 0.00 0.00 0.93 0.00 0.00 48 A 8.00 4.00 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 49 N 8.23 4.33 0.00 2.97 2.88 0.00 0.00 6.98 7.57 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 50 I 7.49 3.70 2.01 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 1.59 1.44 0.96 0.00 0.00 51 T 7.81 4.00 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 52 I 7.52 3.87 1.99 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 1.58 0.72 0.91 0.00 0.00 53 S 8.31 4.24 0.00 3.98 4.04 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 54 S 7.40 4.46 0.00 3.92 3.95 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 55 C 7.50 4.30 0.00 3.12 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 56 S 8.63 4.10 0.00 3.90 3.89 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 0.00 0.00 0.00 57 S 7.94 4.09 0.00 3.85 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 58 L 8.36 4.34 0.00 1.76 1.60 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 *60 L 8.10 4.21 0.00 1.79 1.82 0.92 0.65 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 61 Q 8.32 3.98 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 62 D 8.37 4.37 0.00 2.82 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 63 L 7.72 4.05 0.00 1.75 1.76 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.39 4.02 0.00 1.69 1.70 0.92 0.79 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 65 R 7.86 3.91 0.00 2.03 1.97 0.00 3.14 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 66 E 7.92 3.93 0.00 2.18 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 2.31 2.36 0.00 67 K 8.19 4.02 0.00 1.97 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.62 7.81 68 L 8.34 3.92 0.00 1.79 1.87 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.21 3.90 0.00 1.97 1.90 0.00 3.19 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 70 A 7.85 3.97 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 71 I 7.98 3.64 2.01 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 0.75 0.91 0.00 0.00 72 L 8.07 3.98 0.00 1.69 1.71 0.93 0.93 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 73 D 8.29 4.36 0.00 2.85 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 74 N 8.49 4.35 0.00 2.93 2.87 0.00 0.00 6.99 8.41 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 75 E 8.42 3.99 0.00 2.22 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 2.35 2.53 0.00 76 I 8.06 3.74 2.11 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.92 0.00 0.00 77 E 8.27 4.01 0.00 2.17 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 0.00 2.30 2.39 0.00 78 I 8.11 3.68 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.66 0.91 0.00 0.00 79 K 7.95 3.93 0.00 2.04 1.89 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.67 7.81 80 R 7.92 3.84 0.00 2.00 2.11 0.00 3.12 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 81 L 7.88 3.85 0.00 2.09 1.72 0.95 0.30 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 82 L 8.33 3.94 0.00 1.66 1.60 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.14 3.87 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.55 0.00 0.00 0.00 0.00 0.00 2.63 2.37 0.00 84 L 8.74 3.88 0.00 1.67 1.88 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.14 3.88 0.00 2.03 1.94 0.00 3.28 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 86 L 8.42 3.87 0.00 1.96 1.53 0.78 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 D 9.14 4.41 0.00 2.88 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 88 R 8.97 4.02 0.00 1.96 1.84 0.00 3.32 0.00 0.00 3.16 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 89 L 8.90 3.86 0.00 1.79 1.70 0.87 0.77 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 90 S 8.43 4.05 0.00 4.01 4.08 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 91 D 7.65 4.36 0.00 2.64 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 92 L 7.84 3.61 0.00 1.62 1.81 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.92 3.45 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 0.86 0.00 0.00 0.93 0.00 0.00 94 G 7.78 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 * Residues marked with a * may have inaccurate shift predictions.