NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 3.9184 8.0249 121.4190 61.1255 37.6477 174.9952 6 K 4.1808 8.2456 126.3379 53.0784 32.7386 174.1428 7 P 4.2766 0.0000 0.0000 62.5858 33.0888 176.4566 8 L 4.2553 8.8350 122.0394 54.2958 42.7204 176.5939 9 E 3.6259 7.6837 117.7494 58.6456 28.6779 175.0985 10 D 4.8668 9.0980 123.3570 53.7417 40.5864 174.9645 11 K 4.7164 7.7705 117.4768 55.7603 33.8924 176.2235 12 I 4.7496 8.4697 115.3174 59.0802 41.3063 173.8741 13 L 4.7049 8.5252 127.2584 54.0476 43.2285 175.2772 14 V 4.7063 8.6301 126.8278 61.2634 34.5353 173.9127 15 Q 5.1536 8.6531 127.3236 54.3056 30.7163 175.0737 16 A 4.5181 8.5810 128.6684 52.1425 19.3940 176.7083 *22 T 4.2396 8.1880 114.8716 63.7839 69.9311 173.9294 23 T 4.5806 8.0822 119.3696 61.3789 71.3224 175.4316 24 A 4.1063 8.7566 128.1819 54.6207 18.5830 178.4308 25 S 4.2709 7.7994 109.1934 59.2892 62.8590 174.4422 26 G 4.3045 8.4199 109.6136 45.5088 0.0000 173.1827 27 L 4.6760 7.9963 118.2535 52.3565 44.8697 175.8892 28 V 4.1311 8.3035 122.1393 61.6164 31.8048 175.7880 29 I 4.2290 7.9305 129.5268 58.6882 36.2927 174.1597 30 P 3.9981 0.0000 0.0000 63.7859 31.6567 174.8246 *37 P 4.4429 0.0000 0.0000 62.5248 31.8192 175.2287 38 Q 4.4945 7.5918 123.6739 54.0493 32.5281 173.1468 39 E 4.9263 7.9836 121.4632 54.3545 33.1634 174.3042 40 G 4.2025 8.1553 108.7012 46.6926 0.0000 171.7765 41 T 5.1336 7.9280 116.3327 61.2820 71.2306 174.3357 42 V 3.7655 9.3643 127.9849 63.5700 31.7475 176.2591 43 V 3.9856 8.7231 128.9276 64.2275 32.6835 175.6168 44 A 4.7182 7.5501 119.9009 50.7492 22.5156 175.2451 45 V 4.5860 8.1478 118.3995 61.5016 35.1245 175.2092 46 G 4.0281 7.9883 113.3697 44.5805 0.0000 171.6272 47 P 4.2655 0.0000 0.0000 66.6142 31.4602 176.4093 48 G 4.3466 7.8365 100.8308 43.7855 0.0000 173.5124 49 R 4.0481 8.3228 119.4034 55.2567 30.7147 177.1176 50 W 4.0465 8.6289 124.5553 56.9119 30.0078 176.1925 51 D 4.7359 9.3580 119.8833 53.0515 39.8956 178.6868 52 E 4.1155 8.8189 119.8503 61.1842 29.2735 179.1989 53 D 4.4283 8.1880 116.4679 53.7434 40.2053 181.2610 54 G 4.0622 8.1517 105.0941 46.2449 0.0000 174.6630 55 E 4.1622 7.9719 117.1653 58.6583 29.7507 176.9318 56 K 4.9916 7.9800 117.2281 54.9299 36.8155 174.1060 57 R 4.5421 7.7439 118.4562 54.1894 32.3690 176.3523 58 I 3.9797 8.4752 124.3083 60.4340 38.1532 174.2701 59 P 4.5754 0.0000 0.0000 61.9762 32.2086 175.9355 60 L 4.4334 8.0616 120.4856 54.4751 42.7336 176.2486 61 D 4.8873 8.4521 119.6855 54.2324 41.0993 176.8065 62 V 4.5507 7.5742 110.9205 59.5152 35.2680 174.4119 63 A 4.7997 9.2420 124.6695 49.7450 22.3225 175.4616 64 E 4.3299 8.4426 118.6467 58.0514 29.8494 178.0761 65 G 4.0483 9.3457 111.3423 45.4064 0.0000 173.8680 66 D 4.4724 7.7460 120.2111 54.7192 42.1042 175.3218 67 T 4.8170 8.5614 118.0946 61.0441 68.9650 173.7078 68 V 5.0718 8.8732 121.6185 59.6390 36.2280 174.4980 69 I 4.9455 8.5611 123.3013 59.9206 39.8565 174.7177 70 Y 5.5668 7.6797 124.1325 55.8026 42.0054 173.7364 71 S 5.1037 8.6659 113.0610 56.8013 65.6907 174.6325 72 K 4.4792 8.4213 118.6190 56.4543 32.5351 176.4997 73 Y 4.3622 7.8518 117.0294 59.7421 38.1124 176.7225 74 G 3.9856 9.1771 109.7640 46.0232 0.0000 173.9600 75 G 3.8020 7.8794 106.4427 46.6768 0.0000 174.3505 76 T 4.6403 8.3502 117.8142 61.1530 70.7457 172.6261 77 E 4.7919 8.6759 127.3833 55.9870 30.8708 175.7393 78 I 4.7330 9.1219 119.3351 59.6277 41.3143 173.6631 79 K 5.1070 8.7296 124.5285 55.1281 34.5692 175.5468 80 Y 4.6627 9.1350 124.8051 57.5892 41.7825 174.7565 81 N 3.9213 9.5556 126.6306 54.2284 36.1612 175.2513 82 G 3.9315 8.2090 105.2305 45.2432 0.0000 173.4155 83 E 4.3177 7.8169 119.3346 54.6996 31.3392 174.1783 84 E 4.7179 8.0711 122.3836 54.7771 31.7843 174.2823 85 Y 5.4734 9.0206 124.2814 56.2758 42.2589 174.6341 86 L 5.1272 9.0175 120.3411 53.3335 46.0023 175.8866 87 I 4.6802 8.7375 125.8096 59.8723 38.1912 174.5467 88 L 4.9103 8.2785 127.6474 53.2165 43.7952 176.5008 89 S 4.3666 8.6821 115.0724 58.1751 63.2624 174.8595 90 A 4.1924 8.4763 128.8171 55.4256 18.2418 180.3036 91 R 4.0653 7.9562 113.9832 59.0812 30.3863 177.8244 92 D 4.5268 8.5628 118.2741 56.2888 41.1938 176.3841 93 V 4.1921 7.7297 119.7256 62.6059 31.7315 175.2348 94 L 4.5117 8.8264 127.8001 56.9571 42.8351 176.4512 95 A 4.6319 7.6241 117.7690 51.2789 22.8225 175.2824 96 V 4.8538 8.3071 111.4980 59.7166 35.0950 176.9467 97 V 3.9808 8.4511 116.2736 61.5838 31.6886 175.8355 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 5 I 8.02 3.92 1.63 0.00 0.00 0.62 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 0.87 0.79 0.00 0.00 6 K 8.25 4.18 0.00 1.75 1.71 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.46 7.81 7 P 0.00 4.28 0.00 2.09 1.94 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 8 L 8.84 4.26 0.00 1.74 1.58 0.94 0.90 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 9 E 7.68 3.63 0.00 2.27 1.99 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 2.30 2.37 0.00 10 D 9.10 4.87 0.00 2.80 3.14 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 11 K 7.77 4.72 0.00 1.73 1.67 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.61 1.51 7.81 12 I 8.47 4.75 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.66 0.87 0.00 0.00 13 L 8.53 4.70 0.00 1.70 1.46 0.80 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.63 4.71 1.79 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 0.79 0.00 0.00 0.64 0.00 0.00 15 Q 8.65 5.15 0.00 2.56 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.07 0.00 16 A 8.58 4.52 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 *22 T 8.19 4.24 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 1.20 0.00 0.00 23 T 8.08 4.58 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 1.35 0.00 0.00 24 A 8.76 4.11 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 25 S 7.80 4.27 0.00 4.14 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.42 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 0.00 0.00 0.00 27 L 8.00 4.68 0.00 1.65 1.50 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.30 4.13 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 0.80 0.00 0.00 0.92 0.00 0.00 29 I 7.93 4.23 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.90 0.00 0.00 30 P 0.00 4.00 0.00 2.02 2.11 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 *37 P 0.00 4.44 0.00 1.98 1.98 0.00 3.61 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 38 Q 7.59 4.49 0.00 1.82 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 39 E 7.98 4.93 0.00 1.90 1.73 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 2.19 2.44 0.00 40 G 8.16 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 0.00 0.00 0.00 41 T 7.93 5.13 4.31 0.00 0.00 0.00 0.00 0.00 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 42 V 9.36 3.77 2.25 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 0.89 0.00 0.00 1.01 0.00 0.00 43 V 8.72 3.99 2.12 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 0.62 0.00 0.00 1.09 0.00 0.00 44 A 7.55 4.72 1.10 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 0.00 0.00 45 V 8.15 4.59 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 0.77 0.00 0.00 0.95 0.00 0.00 46 G 7.99 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 0.00 0.00 0.00 47 P 0.00 4.27 0.00 1.93 2.00 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 48 G 7.84 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 0.00 0.00 0.00 0.00 49 R 8.32 4.05 0.00 1.87 1.88 0.00 3.13 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 50 W 8.63 4.05 0.00 3.41 3.32 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 51 D 9.36 4.74 0.00 2.55 2.56 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 52 E 8.82 4.12 0.00 1.98 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 2.34 2.27 0.00 53 D 8.19 4.43 0.00 2.60 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.97 4.16 0.00 2.21 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 2.40 2.37 0.00 56 K 7.98 4.99 0.00 1.76 1.98 0.00 1.46 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 57 R 7.74 4.54 0.00 1.19 1.31 0.00 2.71 0.00 0.00 2.73 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 58 I 8.48 3.98 1.80 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 1.19 1.25 0.87 0.00 0.00 59 P 0.00 4.58 0.00 1.99 1.91 0.00 3.62 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 1.97 2.02 0.00 60 L 8.06 4.43 0.00 1.60 1.56 0.93 0.99 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 61 D 8.45 4.89 0.00 2.65 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.57 4.55 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 0.74 0.00 0.00 0.92 0.00 0.00 63 A 9.24 4.80 1.19 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 0.00 0.00 64 E 8.44 4.33 0.00 1.96 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 2.29 2.30 0.00 65 G 9.35 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.75 4.47 0.00 2.83 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.56 4.82 4.27 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 1.26 0.00 0.00 68 V 8.87 5.07 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 0.83 0.00 0.00 1.15 0.00 0.00 69 I 8.56 4.95 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 1.24 0.73 0.88 0.00 0.00 70 Y 7.68 5.57 0.00 3.17 3.09 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 0.00 0.00 0.00 71 S 8.67 5.10 0.00 3.98 4.01 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 0.00 0.00 0.00 0.00 72 K 8.42 4.48 0.00 1.76 1.91 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.65 1.43 7.81 73 Y 7.85 4.36 0.00 3.00 2.89 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 74 G 9.18 3.99 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 0.00 75 G 7.88 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 76 T 8.35 4.64 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 77 E 8.68 4.79 0.00 2.01 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 2.32 2.41 0.00 78 I 9.12 4.73 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.12 1.00 0.00 0.00 79 K 8.73 5.11 0.00 1.68 1.76 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.65 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.42 7.81 80 Y 9.14 4.66 0.00 3.11 3.14 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 81 N 9.56 3.92 0.00 2.20 2.52 0.00 0.00 7.30 7.65 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 82 G 8.21 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 83 E 7.82 4.32 0.00 1.96 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 2.20 2.46 0.00 84 E 8.07 4.72 0.00 1.93 1.68 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 0.00 2.25 2.27 0.00 85 Y 9.02 5.47 0.00 3.21 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.02 5.13 0.00 1.48 1.44 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.74 4.68 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 1.24 1.29 0.88 0.00 0.00 88 L 8.28 4.91 0.00 1.85 1.67 0.64 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.68 4.37 0.00 3.88 3.79 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 90 A 8.48 4.19 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 91 R 7.96 4.07 0.00 1.84 2.03 0.00 3.17 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 92 D 8.56 4.53 0.00 2.87 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 93 V 7.73 4.19 2.12 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 0.82 0.00 0.00 0.94 0.00 0.00 94 L 8.83 4.51 0.00 1.66 1.73 0.95 0.89 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 95 A 7.62 4.63 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.31 4.85 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 0.78 0.00 0.00 0.94 0.00 0.00 97 V 8.45 3.98 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 0.66 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.