NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2849 8.3144 121.7900 56.6418 33.4391 173.8834 3 K 4.5661 8.1280 119.3505 54.7230 35.2028 173.2941 4 A 4.5773 8.9764 128.8038 50.4369 21.3202 175.6364 5 V 4.3706 8.3433 123.3007 62.3877 32.3725 176.1197 6 I 3.9842 8.5150 131.3020 59.9543 37.3576 174.7493 7 N 4.6764 8.5059 126.1592 52.6328 37.5320 175.6414 8 G 3.4599 8.5077 115.1392 47.4321 0.0000 173.6205 9 E 3.9971 7.6682 116.4682 58.9805 29.7481 177.9725 10 Q 4.1835 7.7235 116.0543 56.4660 29.2603 176.0936 11 I 3.8043 7.0504 119.5192 61.4671 37.2502 176.1863 12 R 4.3125 8.2891 123.9004 56.7073 31.1090 176.4614 13 S 4.5751 7.2687 111.6119 56.4110 66.0824 177.1533 14 I 3.6700 7.8197 121.6626 64.4291 37.6830 177.6851 15 S 4.1699 8.1690 115.4737 61.9631 62.7058 175.9453 16 D 4.3420 8.2501 120.4130 57.3809 40.7193 178.2971 17 L 3.9021 7.9784 120.5199 58.5449 42.1427 178.6395 18 H 4.3375 8.2407 116.0873 59.0711 28.6905 177.6040 19 Q 4.0911 8.4473 119.9850 59.5206 28.6020 179.4209 20 T 3.8766 7.9292 116.3728 66.5435 68.4510 176.6093 21 L 4.0279 8.2109 121.0717 57.7628 41.7358 179.3178 22 K 3.5753 8.6471 119.6988 59.6635 32.2025 178.8690 23 K 4.0472 8.0370 118.3765 59.3260 31.8637 179.3356 24 E 4.0505 8.6330 118.3397 58.6943 29.4811 177.7118 25 L 4.4036 8.2492 115.8753 53.5155 42.4368 175.8345 26 A 3.7157 7.4246 119.6363 53.0971 16.2996 178.0374 27 L 3.9609 7.6252 119.5176 54.3642 42.6672 176.1822 28 P 3.8803 0.0000 0.0000 62.2141 31.5082 177.5133 29 E 3.8704 8.5536 119.2515 59.4125 29.4219 177.8112 30 F 4.6125 7.6066 111.6705 56.4440 38.1212 174.5028 31 Y 4.0356 7.6116 122.3134 58.6661 38.6065 176.9871 32 G 3.3879 8.3817 114.6700 46.0661 0.0000 172.8317 33 E 2.9867 5.9000 118.6079 55.4861 26.9034 173.0040 34 N 4.4751 6.3466 115.1961 51.0237 41.4809 175.2454 35 L 4.1224 8.2770 120.5346 57.9613 41.6366 179.5691 36 D 4.4117 8.2244 118.3722 57.2854 40.8140 178.4571 37 A 4.0941 8.8413 121.8323 54.9448 18.2787 179.4353 38 L 4.0432 8.3411 119.0227 58.0058 42.2136 178.8359 39 W 4.2048 8.4824 128.4121 60.6996 30.7012 177.1134 40 D 4.3060 8.4280 117.8147 57.9227 40.5311 178.3038 41 C 4.2666 8.5232 117.2997 62.6261 27.8298 176.1201 42 L 3.9434 7.9226 120.7060 57.3189 41.3377 178.6773 43 T 4.3655 7.7913 107.4882 61.9161 69.2477 175.6799 44 G 4.2887 7.9920 110.3295 44.7841 0.0000 172.6067 45 W 5.0100 8.2111 128.7425 58.2864 37.8950 175.4712 46 V 3.7015 7.7662 110.7179 61.0343 31.4984 175.7864 47 E 3.9751 8.0884 122.9706 56.0822 30.2582 175.6072 48 Y 5.0245 7.8698 121.2043 55.2729 41.5707 173.6906 49 P 5.0200 0.0000 0.0000 62.8139 32.8945 175.0357 50 L 4.7983 9.3218 122.9903 53.3441 45.1947 175.0654 51 V 4.6846 8.5202 126.0089 61.2868 33.6674 173.6764 52 L 4.9173 9.2458 131.4077 53.3732 44.2111 174.5751 53 E 4.7416 9.2262 128.9463 54.6912 30.7338 174.4687 54 W 4.9526 9.0162 135.0000 56.2188 30.0435 174.1260 55 R 4.0989 8.4022 125.0879 55.1698 31.1364 175.8120 56 Q 3.2137 7.8510 126.1650 56.3109 26.9749 173.2870 *57 F 4.1957 7.4099 111.9745 57.2467 42.9686 174.8167 *67 G 4.0631 7.8500 103.9886 47.5032 0.0000 175.1290 68 A 4.2057 7.8260 122.0263 53.9211 18.8245 179.1581 69 E 3.9762 8.2896 117.7595 59.5168 29.8306 178.8791 70 S 4.1802 8.1655 114.8279 61.6629 62.6417 176.7915 71 V 3.7221 7.5373 120.5645 65.9003 31.3688 177.8116 72 L 3.3119 7.9237 120.1486 57.9017 41.7910 178.5268 73 Q 3.9354 8.4617 119.9102 59.3378 28.8711 178.5929 74 V 3.6969 7.7066 118.5972 66.2312 31.5073 178.0207 75 F 4.1629 8.1050 117.2053 60.5800 38.6421 177.9492 76 R 3.9847 8.1586 117.8210 59.1564 29.8184 178.9247 77 E 4.0241 8.9741 118.5191 59.4192 29.6543 179.1637 78 A 3.9989 8.7300 121.2302 55.1633 18.4226 179.5808 79 K 3.9839 8.3771 117.9148 59.6684 32.0922 178.8798 80 A 4.1209 8.2258 120.0506 54.5517 18.3483 178.6949 81 E 4.1822 8.1687 117.3135 57.5542 29.8665 176.2558 82 G 3.5617 7.6022 106.5182 45.3926 0.0000 174.0705 83 C 3.7101 7.3938 117.8588 59.8243 28.9249 174.0999 84 D 4.5097 7.1535 122.0135 52.7921 39.5816 173.1901 85 I 5.0721 7.5735 120.4712 59.2873 40.1933 174.8308 86 T 4.5350 8.9906 124.3523 61.9169 70.6381 173.4929 87 I 4.7635 8.4155 127.6409 59.6961 39.2789 175.3040 88 I 4.1883 8.6701 129.7295 59.9870 38.5417 175.4770 89 L 4.9954 8.6357 129.0137 53.5053 41.1093 177.1418 90 S 4.4795 8.5008 118.0302 58.1307 63.3140 174.2311 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 K 8.31 4.28 0.00 1.73 1.82 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 3 K 8.13 4.57 0.00 1.85 1.61 0.00 1.80 0.00 0.00 1.92 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.52 7.81 4 A 8.98 4.58 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 5 V 8.34 4.37 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 0.99 0.00 0.00 6 I 8.51 3.98 1.57 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.10 0.66 0.00 0.00 7 N 8.51 4.68 0.00 2.66 2.65 0.00 0.00 6.98 8.02 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 8 G 8.51 3.46 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 0.00 9 E 7.67 4.00 0.00 2.09 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 2.45 2.23 0.00 10 Q 7.72 4.18 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 11 I 7.05 3.80 1.77 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.51 0.91 0.00 0.00 12 R 8.29 4.31 0.00 1.88 1.96 0.00 3.24 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 13 S 7.27 4.58 0.00 3.99 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 14 I 7.82 3.67 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.32 0.95 0.00 0.00 15 S 8.17 4.17 0.00 3.92 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 16 D 8.25 4.34 0.00 2.72 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 17 L 7.98 3.90 0.00 1.98 1.73 1.07 0.98 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 18 H 8.24 4.34 0.00 3.48 3.55 0.00 5.69 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 19 Q 8.45 4.09 0.00 2.24 2.21 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 2.60 2.60 0.00 20 T 7.93 3.88 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 1.21 0.00 0.00 21 L 8.21 4.03 0.00 1.94 1.77 1.16 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.65 3.58 0.00 1.84 2.17 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 23 K 8.04 4.05 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.73 1.63 7.81 24 E 8.63 4.05 0.00 1.99 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 2.52 2.44 0.00 25 L 8.25 4.40 0.00 1.68 1.67 1.14 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.42 3.72 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 27 L 7.63 3.96 0.00 1.24 0.93 -0.33 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 3.88 0.00 0.49 0.49 0.00 2.70 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.44 0.00 29 E 8.55 3.87 0.00 2.07 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 2.36 2.45 0.00 30 F 7.61 4.61 0.00 3.03 3.15 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 0.00 0.00 0.00 0.00 31 Y 7.61 4.04 0.00 2.66 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.38 3.39 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 0.00 33 E 5.90 2.99 0.00 1.81 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 2.25 1.91 0.00 34 N 6.35 4.48 0.00 2.87 2.74 0.00 0.00 6.11 6.67 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 35 L 8.28 4.12 0.00 1.74 1.81 0.96 1.12 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 36 D 8.22 4.41 0.00 2.86 2.77 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 37 A 8.84 4.09 1.31 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 0.00 0.00 0.00 38 L 8.34 4.04 0.00 2.08 2.07 0.68 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 39 W 8.48 4.20 0.00 3.43 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.43 4.31 0.00 3.04 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 41 C 8.52 4.27 0.00 2.85 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 42 L 7.92 3.94 0.00 1.47 1.60 0.17 0.64 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 43 T 7.79 4.37 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 44 G 7.99 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 45 W 8.21 5.01 0.00 3.35 3.13 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 0.00 0.00 0.00 46 V 7.77 3.70 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.53 0.00 0.00 47 E 8.09 3.98 0.00 1.76 1.67 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 2.20 2.22 0.00 48 Y 7.87 5.02 0.00 2.99 2.77 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 49 P 0.00 5.02 0.00 2.15 2.44 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 50 L 9.32 4.80 0.00 1.90 1.92 1.04 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.52 4.68 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 0.93 0.00 0.00 0.96 0.00 0.00 52 L 9.25 4.92 0.00 1.65 1.32 0.90 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.23 4.74 0.00 2.07 1.83 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 2.25 2.26 0.00 54 W 9.02 4.95 0.00 3.30 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 55 R 8.40 4.10 0.00 1.86 1.83 0.00 3.31 0.00 0.00 3.22 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.42 0.00 56 Q 7.85 3.21 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 *57 F 7.41 4.20 0.00 2.34 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 0.00 0.00 0.00 0.00 *67 G 7.85 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 68 A 7.83 4.21 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 3.98 0.00 2.18 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 0.00 2.41 2.48 0.00 70 S 8.17 4.18 0.00 4.12 3.96 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 71 V 7.54 3.72 2.60 0.00 0.00 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 0.00 0.00 1.12 0.00 0.00 72 L 7.92 3.31 0.00 0.50 1.46 0.26 0.28 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 73 Q 8.46 3.94 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 74 V 7.71 3.70 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 1.28 0.00 0.00 1.02 0.00 0.00 75 F 8.10 4.16 0.00 3.21 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 76 R 8.16 3.98 0.00 2.05 1.98 0.00 3.05 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 77 E 8.97 4.02 0.00 2.35 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 0.00 2.31 2.43 0.00 78 A 8.73 4.00 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 79 K 8.38 3.98 0.00 1.89 2.12 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.44 7.81 80 A 8.23 4.12 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 81 E 8.17 4.18 0.00 2.37 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 0.00 2.36 2.42 0.00 82 G 7.60 3.56 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 0.00 83 C 7.39 3.71 0.00 2.55 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 0.00 0.00 0.00 84 D 7.15 4.51 0.00 2.66 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.57 5.07 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.63 1.08 0.00 0.00 86 T 8.99 4.54 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 1.22 0.00 0.00 87 I 8.42 4.76 1.81 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 1.24 0.58 0.73 0.00 0.00 88 I 8.67 4.19 1.90 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 1.24 0.69 0.93 0.00 0.00 89 L 8.64 5.00 0.00 1.56 1.72 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.50 4.48 0.00 3.90 3.96 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 * Residues marked with a * may have inaccurate shift predictions.