NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.2548 8.4331 116.7577 57.0152 31.6638 175.0347 10 G 3.8690 8.8451 108.7343 45.5063 0.0000 174.5763 *12 K 4.2365 8.3403 122.2403 54.4024 35.1693 181.5836 13 V 3.5926 7.6666 118.2884 65.6877 31.4728 178.0420 14 V 3.7227 7.4855 116.5464 66.0773 31.1586 177.6105 15 A 3.5219 7.7728 118.3306 55.1557 18.0657 179.0549 16 A 3.9338 7.3880 117.7039 54.9590 18.5648 179.1687 17 A 3.9586 7.9070 118.2268 53.3083 20.5248 177.4758 18 Y 4.9684 8.0129 114.2302 55.0593 38.6725 174.1962 19 P 4.3608 0.0000 0.0000 66.0535 31.8386 178.4994 20 D 4.3539 8.1322 118.1003 56.9704 40.8125 178.1153 21 L 3.9644 8.0502 120.3407 58.3993 42.0587 178.1056 22 Y 4.0719 8.4629 119.6236 60.9794 38.7693 177.9016 23 D 4.2736 8.4370 119.8051 57.4540 40.9462 178.7139 24 I 3.7424 7.9527 119.0857 63.8580 37.8545 178.0325 25 I 3.6589 7.8878 121.0956 64.1433 36.8504 178.4488 26 V 3.4181 7.5246 119.0724 65.9771 31.2498 178.2527 27 K 3.9180 7.9800 118.1423 59.1789 31.7680 179.0058 28 L 3.8668 8.3246 121.0231 58.1212 42.0238 178.4472 29 N 4.2805 8.3005 117.0232 57.0426 38.7064 176.5360 30 D 4.4067 8.0296 118.7578 57.6452 41.1835 178.7227 31 T 4.0156 8.2201 116.5853 66.4614 68.2660 176.8364 32 V 3.4831 7.7153 119.4076 65.9081 31.4620 177.2024 33 F 5.5940 7.5559 115.2878 56.5952 40.0696 177.5263 34 T 4.5529 7.4476 118.5102 60.9802 67.0420 174.4030 35 G 3.8769 7.5426 112.6196 44.9720 0.0000 171.7063 36 K 4.1895 8.5322 120.3942 58.7758 32.5752 178.1800 37 T 4.4548 7.7168 108.8516 63.1547 70.2310 174.1233 38 L 4.2518 7.8025 119.7829 54.2895 42.5788 176.9074 39 D 4.7980 8.3730 122.3811 52.5753 42.0699 176.9799 40 Y 4.3740 8.5003 119.6974 60.7544 38.7152 177.6766 41 K 3.6254 8.0512 119.9902 59.8121 32.3544 178.6057 42 T 3.8645 8.4298 116.0341 66.8762 68.5095 176.6011 43 Q 4.1555 8.2405 119.8488 59.0471 28.7118 179.1575 44 K 4.0323 8.2875 119.7794 59.1880 31.9995 179.4569 45 L 3.9639 8.0512 119.4705 57.7118 41.5271 179.4462 46 I 3.6956 7.9155 119.5165 64.4226 37.0941 178.1708 47 A 4.0669 8.1982 121.4216 55.3434 18.1225 179.6801 48 I 3.7646 8.0650 118.4122 64.5189 37.2624 178.8596 49 G 3.6509 8.1628 106.4614 47.8333 0.0000 175.8369 50 I 3.7309 7.6745 121.1845 64.1741 37.4787 178.4320 51 V 3.7292 7.9663 118.8759 65.9809 31.1697 177.9329 52 A 4.1321 8.2133 119.8312 54.6403 18.2759 179.1707 53 S 4.2954 7.7765 111.0686 60.4864 63.5344 174.0181 54 R 4.6021 7.6159 121.5585 55.1806 32.2004 175.3225 55 C 4.4209 8.3651 114.3855 60.4233 28.8185 174.8333 56 D 4.5704 7.7580 120.2615 53.2105 40.0559 175.5406 57 E 3.9839 8.6343 126.9001 59.1957 29.5020 179.2230 58 V 3.5701 7.8537 118.0909 65.8477 31.5905 177.8958 59 A 4.0274 7.8852 120.0967 55.1710 17.9254 179.8098 60 I 3.6399 7.4402 117.3881 64.5160 37.3654 177.8466 61 E 4.1274 8.3103 121.4098 59.8483 29.6684 179.3585 62 K 4.2002 8.4047 124.0314 59.7406 31.7951 180.8835 63 Q 4.1952 8.0080 117.3549 57.1069 28.5819 177.9702 *65 K 4.2019 7.8705 118.2958 56.2634 34.1692 177.2816 66 S 4.1742 8.3922 113.3909 61.4730 63.0091 176.9379 67 A 3.9582 8.0239 122.7833 53.2783 17.6220 179.6749 *69 K 4.2014 8.2719 123.4759 56.6650 33.9080 181.3666 70 E 4.2497 8.8799 115.4273 57.8130 29.6848 179.3146 71 L 4.5183 7.9351 117.2954 53.4688 42.9649 177.8061 72 G 4.0032 8.2689 105.9072 45.9716 0.0000 173.8660 73 I 3.8875 7.0144 120.7137 61.5127 37.7017 176.6904 74 T 4.4685 8.7272 115.5694 60.4437 71.6580 176.2747 75 K 3.9501 8.4196 121.1458 59.6047 32.0650 179.2303 76 E 3.9379 8.1063 119.2024 59.1842 29.7154 178.4507 77 E 3.9759 8.2730 118.6551 59.5273 29.4778 179.4353 78 I 3.6834 7.9181 119.4829 64.3694 37.1954 178.2586 79 A 4.0271 8.3638 121.9362 55.4072 17.8375 179.4037 80 D 4.3523 8.2652 117.3579 57.3767 40.9669 179.1757 81 V 3.5745 7.7815 118.6304 66.1248 31.5105 178.1784 82 L 4.1782 8.1972 118.7496 57.6292 41.4317 179.4559 83 R 3.7924 8.2419 118.3839 59.5698 30.0268 179.1602 84 V 3.5908 7.3604 117.5096 65.7366 31.4983 178.0607 85 V 3.6555 7.6061 119.1048 65.1958 31.2657 177.5297 86 L 3.9859 8.0422 120.0864 58.2998 41.5943 178.7849 87 L 3.8727 7.3682 118.3334 58.2407 42.3538 178.5780 88 T 4.2040 8.1872 109.2649 63.6425 68.8476 176.1282 89 S 4.7145 8.1906 114.0547 57.2196 66.7974 174.0256 90 G 3.9247 7.9857 107.4715 44.1015 0.0000 173.3195 *92 P 4.2797 0.0000 0.0000 62.1859 33.2650 178.2394 93 A 4.0073 8.0211 119.2885 55.0344 18.0504 179.2594 94 F 4.2078 7.8943 117.9242 61.8341 39.6345 177.2422 95 T 3.7330 7.8785 107.5004 64.3272 68.9712 175.9550 96 K 4.0549 8.0554 122.3044 59.0902 32.1936 179.6361 97 A 4.1430 7.7521 120.1272 52.1533 17.9078 179.2574 *99 K 4.0737 8.0478 123.6506 58.1664 34.2074 177.8394 100 I 3.5411 7.7898 119.4158 64.3175 36.9779 178.0536 101 L 3.9066 8.0730 121.3509 58.2787 41.6710 178.6184 102 E 3.9516 7.4657 117.6014 59.0435 29.6078 178.2973 103 K 4.1999 7.6354 116.4382 57.4416 32.4079 176.9310 104 L 4.2082 7.6483 124.3168 54.8656 41.6739 176.4344 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 9 E 8.43 4.25 0.00 2.01 1.81 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 2.13 1.89 0.00 10 G 8.85 3.87 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 0.00 0.00 0.00 *12 K 8.34 4.24 0.00 1.72 1.87 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 13 V 7.67 3.59 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 0.99 0.00 0.00 0.91 0.00 0.00 14 V 7.49 3.72 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 1.20 0.00 0.00 1.09 0.00 0.00 15 A 7.77 3.52 0.38 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 16 A 7.39 3.93 1.17 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 0.00 0.00 17 A 7.91 3.96 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.01 4.97 0.00 3.00 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 19 P 0.00 4.36 0.00 2.31 2.34 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 20 D 8.13 4.35 0.00 2.77 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 21 L 8.05 3.96 0.00 1.80 2.01 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.46 4.07 0.00 3.18 3.21 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 0.00 0.00 0.00 0.00 23 D 8.44 4.27 0.00 2.93 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 24 I 7.95 3.74 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 1.50 0.98 0.98 0.00 0.00 25 I 7.89 3.66 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.59 0.84 0.00 0.00 26 V 7.52 3.42 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 1.08 0.00 0.00 0.31 0.00 0.00 27 K 7.98 3.92 0.00 1.95 1.81 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.56 7.81 28 L 8.32 3.87 0.00 1.73 1.83 0.87 0.53 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 29 N 8.30 4.28 0.00 2.88 3.01 0.00 0.00 7.30 9.28 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 30 D 8.03 4.41 0.00 2.67 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 31 T 8.22 4.02 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 1.18 0.00 0.00 32 V 7.72 3.48 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.81 0.00 0.00 33 F 7.56 5.59 0.00 3.21 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 34 T 7.45 4.55 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 1.21 0.00 0.00 35 G 7.54 3.88 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 0.00 0.00 0.00 36 K 8.53 4.19 0.00 2.03 1.89 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 0.99 7.81 37 T 7.72 4.45 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 1.22 0.00 0.00 38 L 7.80 4.25 0.00 1.73 1.63 0.95 1.05 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 39 D 8.37 4.80 0.00 3.02 2.86 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 40 Y 8.50 4.37 0.00 3.00 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 41 K 8.05 3.63 0.00 1.80 1.90 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 42 T 8.43 3.86 4.42 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 1.23 0.00 0.00 43 Q 8.24 4.16 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.70 0.00 44 K 8.29 4.03 0.00 1.50 1.58 0.00 1.35 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.44 0.45 7.81 45 L 8.05 3.96 0.00 1.87 1.71 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.92 3.70 2.11 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 1.48 0.89 0.93 0.00 0.00 47 A 8.20 4.07 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.06 3.76 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.83 0.92 0.00 0.00 49 G 8.16 3.65 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 0.00 0.00 0.00 50 I 7.67 3.73 2.02 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 1.42 0.72 0.92 0.00 0.00 51 V 7.97 3.73 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 1.05 0.00 0.00 0.98 0.00 0.00 52 A 8.21 4.13 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 53 S 7.78 4.30 0.00 4.07 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 0.00 54 R 7.62 4.60 0.00 1.99 1.93 0.00 3.16 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 55 C 8.37 4.42 0.00 2.96 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.76 4.57 0.00 2.80 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 3.98 0.00 2.05 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 2.40 2.38 0.00 58 V 7.85 3.57 2.22 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 1.10 0.00 0.00 0.94 0.00 0.00 59 A 7.89 4.03 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.44 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 1.42 0.75 0.91 0.00 0.00 61 E 8.31 4.13 0.00 2.32 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 2.32 2.20 0.00 62 K 8.40 4.20 0.00 1.78 1.80 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 63 Q 8.01 4.20 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.37 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 *65 K 7.87 4.20 0.00 2.28 1.89 0.00 1.93 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 66 S 8.39 4.17 0.00 3.97 4.19 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 67 A 8.02 3.96 1.28 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 0.00 0.00 *69 K 8.27 4.20 0.00 1.81 1.78 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 70 E 8.88 4.25 0.00 1.94 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 2.26 2.15 0.00 71 L 7.94 4.52 0.00 1.80 1.59 0.67 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.27 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.01 3.89 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.91 0.00 0.00 74 T 8.73 4.47 4.23 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 1.25 0.00 0.00 75 K 8.42 3.95 0.00 1.81 1.89 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.49 7.81 76 E 8.11 3.94 0.00 2.03 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 2.38 2.41 0.00 77 E 8.27 3.98 0.00 2.23 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 2.32 2.35 0.00 78 I 7.92 3.68 1.99 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 1.44 0.71 0.91 0.00 0.00 79 A 8.36 4.03 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 80 D 8.27 4.35 0.00 2.92 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 81 V 7.78 3.57 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 1.12 0.00 0.00 0.96 0.00 0.00 82 L 8.20 4.18 0.00 2.05 1.96 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.24 3.79 0.00 2.04 1.96 0.00 3.14 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 1.68 1.94 0.00 84 V 7.36 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 0.99 0.00 0.00 0.93 0.00 0.00 85 V 7.61 3.66 2.38 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 1.20 0.00 0.00 1.04 0.00 0.00 86 L 8.04 3.99 0.00 0.73 1.40 0.75 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.37 3.87 0.00 1.59 1.76 0.87 1.11 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 88 T 8.19 4.20 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 1.20 0.00 0.00 89 S 8.19 4.71 0.00 4.01 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 90 G 7.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.24 2.16 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 93 A 8.02 4.01 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 94 F 7.89 4.21 0.00 2.92 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.88 3.73 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 1.29 0.00 0.00 96 K 8.06 4.05 0.00 1.93 2.02 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.55 7.81 97 A 7.75 4.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *99 K 8.05 4.07 0.00 1.89 2.00 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.44 7.81 100 I 7.79 3.54 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 1.39 1.01 0.89 0.00 0.00 101 L 8.07 3.91 0.00 1.79 1.61 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 102 E 7.47 3.95 0.00 1.81 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 0.00 2.30 2.47 0.00 103 K 7.64 4.20 0.00 2.10 1.83 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.47 1.34 7.81 104 L 7.65 4.21 0.00 1.76 1.56 0.91 0.70 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 * Residues marked with a * may have inaccurate shift predictions.