NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2100 8.1127 120.8542 56.2484 30.9771 174.4616 3 V 3.7598 8.1879 112.9008 61.2794 28.9668 175.0554 4 K 4.3677 8.5660 119.6826 56.6515 36.5209 175.9109 5 M 3.9583 7.6727 120.7095 56.3435 32.2230 175.1682 6 H 4.8048 8.3046 116.7056 54.7518 32.2028 175.2564 7 V 3.8812 8.0956 108.9761 61.5872 30.5441 180.0018 8 K 4.1366 8.7269 127.8278 57.5117 33.3007 176.5580 9 K 4.4484 8.1600 122.6245 56.6757 33.8054 178.3365 10 G 4.2934 8.7349 101.7006 45.4856 0.0000 173.1726 11 D 4.5494 8.0928 119.3581 52.8553 39.2056 179.2761 12 T 4.4436 6.0375 111.2170 62.7877 72.3518 172.7913 13 V 5.2588 8.2594 123.3144 59.9179 35.5819 175.2651 14 L 4.4976 8.2898 124.1537 54.7607 44.1885 175.4812 15 V 3.9561 8.6310 126.3838 63.0042 32.2593 175.5654 16 A 4.6293 8.9236 129.3153 51.7108 20.0794 176.8678 17 S 4.5735 8.4982 114.9074 58.6556 62.6364 175.5314 18 G 3.8016 9.5812 107.1310 45.2164 0.0000 174.4639 19 K 3.7714 9.3852 120.5079 59.7910 32.8725 176.6445 20 Y 4.4884 7.9252 114.8329 57.6527 38.4814 175.7294 21 K 4.2272 8.8581 121.2427 57.8496 32.9320 176.1396 22 G 4.3696 8.7689 115.6466 46.0048 0.0000 175.0019 23 R 4.0896 7.3584 118.2661 56.2427 31.2915 176.1627 24 V 4.4516 8.4148 123.0799 61.5342 33.0282 174.9030 25 G 4.2363 8.2979 114.0218 44.8200 0.0000 171.1433 26 K 5.0476 8.2339 120.0179 55.4804 34.7453 174.7500 27 V 3.5450 7.3120 116.6270 61.1971 33.4024 177.0797 28 K 4.6470 8.1483 122.5836 55.6880 33.8393 176.2862 29 E 3.8881 7.6655 117.6706 59.5526 26.8854 174.0934 30 V 3.4581 7.3585 115.5860 61.2433 33.2762 173.6670 31 L 3.9703 8.4105 128.3089 54.9128 40.9348 175.4301 32 P 4.8344 0.0000 0.0000 62.7034 32.4193 177.5215 33 K 3.8071 8.1733 119.8314 59.2327 31.9575 177.2647 34 K 4.3971 7.8853 117.4789 55.3646 33.1146 175.0871 35 Y 3.4334 9.5779 116.5449 58.0735 37.7472 170.1780 36 A 5.3800 7.4310 120.0136 50.6394 23.6881 176.3959 37 V 4.4178 8.9846 111.9917 60.1272 35.3583 174.3614 38 I 4.1189 8.6057 119.8222 58.9093 38.1282 180.0694 39 V 4.0413 8.2170 121.8367 64.7954 30.6433 173.1072 40 E 4.8225 8.1125 113.6940 54.7088 31.8342 175.0112 41 G 3.4771 7.7773 108.6399 44.7293 0.0000 174.0104 42 V 2.2689 4.0000 110.2651 62.8070 28.2613 172.3745 43 N 4.6999 7.8044 119.1296 50.9793 40.9344 172.3375 44 I 3.0670 7.8158 123.2369 60.8205 37.1170 174.2802 45 V 3.8695 8.3654 124.1297 63.4127 32.7793 175.9437 46 K 4.6243 7.5497 126.8809 54.6395 33.4308 175.7551 47 K 4.0588 8.4621 119.3465 57.9438 35.8139 176.2751 48 A 3.8078 9.2388 121.9538 51.3110 16.7555 177.1131 49 V 4.3361 7.6533 114.2087 62.6065 31.9155 175.2350 *63 K 4.0678 7.7664 116.9500 55.7535 33.1630 175.5553 64 E 4.2822 8.2992 119.5012 56.5038 30.2200 175.8969 65 A 4.0422 8.6873 118.8279 53.0853 22.3197 174.4046 66 P 3.3952 0.0000 0.0000 62.3479 32.7357 172.8756 67 L 4.9784 7.9552 131.7800 54.7820 44.0377 172.2186 68 H 5.1331 8.7073 126.8182 55.6839 29.8943 175.7045 69 A 4.2237 9.1060 129.5881 54.5892 18.4333 178.0314 70 S 4.9600 8.3746 109.1405 58.4245 62.4354 174.1479 71 K 4.5786 8.2543 119.2842 56.4977 35.0838 176.4952 72 V 4.8028 7.3872 111.8149 60.0298 33.3654 176.0930 73 R 4.7756 8.4298 121.4400 53.5412 34.1152 175.4835 74 P 4.6589 0.0000 0.0000 64.4177 30.8266 174.5439 75 I 4.6354 7.8518 122.7269 60.6058 40.0773 173.5302 76 C 5.0445 8.3002 132.0822 60.2026 35.2470 171.9925 77 P 3.9572 0.0000 0.0000 62.2671 28.5011 174.4768 78 A 4.3674 6.6028 123.9394 51.6883 22.3665 175.6547 79 C 4.7690 8.0366 115.5977 59.3354 34.6647 178.1305 80 G 3.4321 9.1517 110.2924 42.4991 0.0000 171.3646 81 K 3.7650 8.4335 127.8542 54.3895 33.1571 174.0381 82 P 4.2558 0.0000 0.0000 62.8927 32.0915 174.9922 83 T 4.5546 8.0966 113.6351 61.2699 68.8679 174.2324 84 R 4.9522 8.1957 124.5905 55.4685 34.1068 174.3008 85 V 4.6939 8.1721 118.7597 62.4052 34.6840 175.6492 86 R 4.5630 8.4050 126.8321 54.9788 30.6077 174.9570 87 K 4.6754 9.0303 110.2160 57.5706 39.4066 178.7194 88 K 3.8974 8.6605 116.2876 55.2458 31.4676 174.8389 89 F 3.7655 8.0526 119.0451 57.0618 37.1600 174.6440 90 L 5.5215 6.8108 132.9595 56.9718 40.9911 174.3226 91 E 4.5929 7.8517 116.9251 54.6293 29.5828 178.0881 92 N 4.9186 8.1709 135.0000 54.6496 40.3444 172.9180 93 G 4.4212 7.7623 113.1713 43.9256 0.0000 170.5336 94 K 4.7289 8.4721 120.8776 55.8261 34.5351 175.4974 95 K 5.0392 8.1294 124.7195 54.1854 35.4635 175.4116 96 I 4.1893 7.6368 127.5787 61.2083 38.2492 175.5185 97 R 3.9882 8.3201 123.8049 57.1756 29.8133 174.7033 98 V 3.8025 8.2144 131.3693 63.2539 31.7968 174.9273 99 C 4.3670 7.5140 118.0305 59.5047 27.4124 174.8833 100 A 4.2228 8.4835 124.0969 56.0903 21.6062 175.2999 101 K 5.0479 8.6819 128.2417 58.1439 28.9914 176.8771 *102 C 4.3630 9.0605 112.7534 57.9269 28.5244 175.0533 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 R 8.11 4.21 0.00 1.81 1.88 0.00 3.31 0.00 0.00 3.33 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 3 V 8.19 3.76 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 0.86 0.00 0.00 0.93 0.00 0.00 4 K 8.57 4.37 0.00 1.75 1.77 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.28 1.28 7.81 5 M 7.67 3.96 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.85 0.00 6 H 8.30 4.80 0.00 3.05 3.06 0.00 5.76 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.10 3.88 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 0.76 0.00 0.00 0.97 0.00 0.00 8 K 8.73 4.14 0.00 1.67 1.77 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.27 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.53 7.81 9 K 8.16 4.45 0.00 1.86 1.28 0.00 1.29 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.48 7.81 10 G 8.73 4.29 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 0.00 11 D 8.09 4.55 0.00 2.75 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 0.00 0.00 0.00 0.00 12 T 6.04 4.44 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 1.28 0.00 0.00 13 V 8.26 5.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.97 0.00 0.00 14 L 8.29 4.50 0.00 1.73 1.66 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.63 3.96 2.27 0.00 0.00 0.00 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 0.95 0.00 0.00 16 A 8.92 4.63 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.50 4.57 0.00 3.88 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 18 G 9.58 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.39 3.77 0.00 1.68 1.82 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.60 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.52 1.22 7.81 20 Y 7.93 4.49 0.00 3.13 2.99 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 21 K 8.86 4.23 0.00 1.92 1.82 0.00 1.77 0.00 0.00 1.99 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.45 7.81 22 G 8.77 4.37 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 0.00 23 R 7.36 4.09 0.00 1.93 1.92 0.00 3.17 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 24 V 8.41 4.45 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 0.84 0.00 0.00 0.94 0.00 0.00 25 G 8.30 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 0.00 0.00 0.00 26 K 8.23 5.05 0.00 1.79 1.72 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.63 7.81 27 V 7.31 3.54 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 1.14 0.00 0.00 1.00 0.00 0.00 28 K 8.15 4.65 0.00 1.89 1.98 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.44 7.81 29 E 7.67 3.89 0.00 2.10 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 0.00 2.20 2.32 0.00 30 V 7.36 3.46 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 0.79 0.00 0.00 0.94 0.00 0.00 31 L 8.41 3.97 0.00 1.84 1.54 0.91 0.89 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 32 P 0.00 4.83 0.00 1.86 2.05 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 33 K 8.17 3.81 0.00 1.76 1.95 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.44 7.81 34 K 7.89 4.40 0.00 1.69 1.75 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.41 7.81 35 Y 9.58 3.43 0.00 3.16 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 36 A 7.43 5.38 1.24 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 0.00 0.00 37 V 8.98 4.42 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 0.67 0.00 0.00 0.96 0.00 0.00 38 I 8.61 4.12 1.85 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 1.37 0.73 0.87 0.00 0.00 39 V 8.22 4.04 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 1.09 0.00 0.00 0.91 0.00 0.00 40 E 8.11 4.82 0.00 1.92 1.86 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 2.19 2.19 0.00 41 G 7.78 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 4.00 2.27 1.86 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 1.19 0.00 0.00 0.68 0.00 0.00 43 N 7.80 4.70 0.00 2.76 2.75 0.00 0.00 7.35 7.45 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 44 I 7.82 3.07 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.42 0.94 0.00 0.00 45 V 8.37 3.87 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 0.76 0.00 0.00 0.95 0.00 0.00 46 K 7.55 4.62 0.00 1.69 1.09 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.41 7.81 47 K 8.46 4.06 0.00 1.82 1.23 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.18 1.35 7.81 48 A 9.24 3.81 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 49 V 7.65 4.34 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 0.88 0.00 0.00 0.93 0.00 0.00 *63 K 7.77 4.07 0.00 1.88 1.75 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.47 7.81 64 E 8.30 4.28 0.00 2.03 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 2.33 2.32 0.00 65 A 8.69 4.04 1.16 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 0.00 0.00 66 P 0.00 3.40 0.00 2.13 2.38 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 67 L 7.96 4.98 0.00 1.80 1.78 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.71 5.13 0.00 3.22 3.14 0.00 5.77 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 9.11 4.22 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.37 4.96 0.00 3.76 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 71 K 8.25 4.58 0.00 1.89 1.80 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.36 7.81 72 V 7.39 4.80 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 0.68 0.00 0.00 1.01 0.00 0.00 73 R 8.43 4.78 0.00 1.74 1.78 0.00 3.15 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 74 P 0.00 4.66 0.00 2.22 2.20 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.98 0.00 75 I 7.85 4.64 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 1.30 0.69 0.96 0.00 0.00 76 C 8.30 5.04 0.00 3.17 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 77 P 0.00 3.96 0.00 2.16 2.31 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 78 A 6.60 4.37 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 79 C 8.04 4.77 0.00 2.90 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 80 G 9.15 3.43 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 0.00 81 K 8.43 3.77 0.00 2.12 1.85 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.45 7.81 82 P 0.00 4.26 0.00 2.04 2.05 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 83 T 8.10 4.55 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 84 R 8.20 4.95 0.00 2.02 1.81 0.00 3.36 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 85 V 8.17 4.69 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 0.73 0.00 0.00 0.94 0.00 0.00 86 R 8.40 4.56 0.00 1.92 1.40 0.00 3.36 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 87 K 9.03 4.68 0.00 2.02 2.02 0.00 1.73 0.00 0.00 2.01 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.69 7.81 88 K 8.66 3.90 0.00 1.97 2.08 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.50 7.81 89 F 8.05 3.77 0.00 3.06 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 90 L 6.81 5.52 0.00 1.80 1.77 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.85 4.59 0.00 1.92 1.12 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 2.19 2.20 0.00 92 N 8.17 4.92 0.00 2.72 2.78 0.00 0.00 6.57 7.98 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 93 G 7.76 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 0.00 0.00 0.00 0.00 94 K 8.47 4.73 0.00 2.03 1.96 0.00 1.45 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.43 7.81 95 K 8.13 5.04 0.00 1.66 1.65 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.32 1.53 7.81 96 I 7.64 4.19 1.83 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 1.12 0.78 0.92 0.00 0.00 97 R 8.32 3.99 0.00 1.75 1.84 0.00 3.31 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 98 V 8.21 3.80 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 0.81 0.00 0.00 0.93 0.00 0.00 99 C 7.51 4.37 0.00 3.00 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 0.00 100 A 8.48 4.22 1.21 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 0.00 0.00 101 K 8.68 5.05 0.00 1.85 1.65 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.32 7.81 *102 C 9.06 4.36 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.