NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5374 8.3349 115.4118 57.8649 64.4683 174.0035 1 T 3.8354 9.0938 121.4295 63.6851 70.1821 174.7637 2 K 3.9603 8.7988 129.2964 59.7569 32.1472 178.5321 3 L 4.2033 7.9472 120.8493 58.3788 42.0032 178.7914 4 E 3.9601 8.2353 117.8052 59.3930 29.2057 179.2050 5 E 4.1680 7.7853 119.7226 59.2126 29.5122 178.8491 6 H 4.4160 7.8848 115.8073 59.3943 28.8220 177.2123 7 L 4.0422 8.4814 120.5250 58.1584 41.5514 179.5984 8 E 3.8084 8.4425 118.4585 59.2232 30.1690 179.5627 9 G 3.9155 9.2209 107.0140 48.1892 0.0000 175.5457 10 I 4.0075 8.2305 122.3930 64.1264 37.2770 178.6848 11 V 3.7784 8.5344 119.6077 66.1093 31.2349 177.9069 12 N 4.4970 8.3159 116.4497 56.0900 38.4438 177.5714 13 I 3.9992 7.9081 122.2378 64.1917 37.2974 178.0115 14 F 3.5998 8.5617 121.7461 61.9925 39.2208 177.3476 15 H 4.7202 8.3571 116.2559 57.9008 28.6034 177.8249 16 Q 4.1088 8.1465 120.2286 58.5993 28.3870 178.1088 17 Y 3.7305 7.9468 118.2150 60.9819 38.0591 178.2681 18 S 3.9615 8.1849 115.7217 61.3196 62.6260 176.5465 19 V 3.8795 8.1310 123.1582 64.9035 30.5495 178.3333 20 R 4.1693 7.5739 120.0808 58.7442 29.9489 177.2241 21 K 4.1878 7.6635 113.3980 57.5984 36.0356 177.1867 22 G 4.1751 8.6240 113.4603 43.5265 0.0000 174.8594 *23 H 4.4601 8.6577 122.0327 55.1529 28.8977 175.1540 24 F 4.5365 8.8856 126.1591 61.0123 39.7472 176.2458 25 D 4.5496 8.3357 120.0716 56.6354 40.8758 175.2354 26 T 5.1507 7.5191 106.4823 60.0892 72.6106 172.9881 27 L 4.5364 8.8425 123.0517 53.5692 45.5136 175.3437 28 S 4.4758 8.7026 121.3301 59.1847 63.2926 175.6000 29 K 3.9353 9.1701 123.6723 59.8120 32.1943 179.1464 30 G 3.9935 8.0936 105.7442 48.2782 0.0000 175.3557 31 E 3.9991 8.7673 121.7803 58.8640 29.4392 179.2646 32 L 3.9187 8.2692 120.6911 57.7919 42.0290 179.1540 33 K 3.6326 7.9344 119.7769 59.3573 32.2836 178.5722 34 Q 3.8890 7.9013 119.3770 58.9839 28.8952 177.6440 35 L 3.4810 8.1132 121.6480 58.1937 42.1226 179.0136 36 L 4.0136 8.0298 118.7701 57.9612 41.6733 179.4208 37 T 3.9748 7.8634 115.7819 66.7058 68.5526 176.2250 38 K 4.1175 7.8970 120.4087 59.4890 32.3414 178.4762 39 E 4.4068 8.3755 116.5570 57.7656 29.6203 177.2789 40 L 4.8426 7.8295 118.5695 53.4709 43.2165 178.2746 41 A 4.2283 7.9438 124.7529 54.7345 17.8835 180.0031 42 N 4.3953 7.9605 112.7877 56.2068 39.4191 177.1234 43 T 4.0444 7.9438 116.6770 66.9612 68.3308 176.0411 44 I 3.7131 8.0408 122.6178 65.1086 37.3610 179.0387 45 K 4.1636 7.5604 121.1618 58.3212 31.9509 178.8209 46 N 5.1987 8.4780 116.5006 54.3139 39.8861 174.1250 47 I 4.7620 7.4623 122.6062 60.8044 41.3663 176.1998 *50 K 4.3646 8.5106 120.6306 54.6940 33.6008 172.3960 51 A 4.6139 7.4366 120.3623 52.0194 20.0610 178.6794 52 V 3.5525 8.3680 122.9163 68.4238 31.3500 177.9910 53 I 3.2823 7.5602 119.0023 65.3616 35.0796 179.0876 54 D 4.4858 8.1431 122.7751 57.9956 40.5870 179.7927 55 E 3.9439 7.8605 117.7897 61.6339 29.6712 180.4794 56 I 3.8393 7.9972 121.2115 65.0911 36.7519 178.4057 57 F 4.5969 9.4466 121.6250 61.3169 38.8270 178.6724 58 Q 4.2158 8.5784 121.1112 60.0796 27.4981 182.7454 59 G 3.8933 8.2773 107.6972 47.6301 0.0000 175.5203 60 L 4.2584 7.8575 120.6252 56.5893 41.5280 178.4096 61 D 4.5218 7.5776 116.9153 56.2001 41.7881 177.6778 62 A 3.9318 7.9045 119.6563 54.6566 19.3251 178.3303 63 N 4.8506 8.1088 112.5198 52.1531 38.7347 177.3353 64 Q 4.7118 7.7199 116.6992 58.2686 29.1479 177.7890 65 D 4.6108 8.0803 118.9788 55.3927 41.6751 176.5504 66 E 4.4450 8.2224 119.1903 55.9211 31.2941 181.0840 67 Q 4.7664 8.6383 123.0988 54.8938 29.8207 175.7610 68 V 4.6830 9.0030 117.4853 59.6416 35.7556 175.0152 69 D 5.3962 8.3901 122.8916 51.7772 42.3345 176.5764 70 F 3.0368 8.6429 118.9233 61.2772 38.9161 176.8503 71 Q 3.9824 8.0824 117.3049 59.1351 28.6125 178.6015 72 E 3.9368 8.2902 119.6823 58.9798 29.7059 178.4386 73 F 4.1206 8.1489 120.9059 61.3099 39.4217 177.0753 74 I 2.7029 7.2823 118.1675 63.3495 37.6010 177.8270 75 S 3.9270 7.7642 114.2114 61.3120 62.2975 176.0050 76 L 3.9052 7.7695 121.6109 57.7885 41.3736 179.6446 77 V 3.3732 7.4854 117.7675 65.8524 31.2708 177.9059 78 A 3.9125 8.0700 120.6626 55.1755 18.1137 179.2746 79 I 3.5321 8.0207 118.5574 64.8447 37.3824 178.1832 80 A 3.8843 8.2621 121.4301 55.4382 18.0500 179.6151 81 L 3.9750 7.9712 119.5113 57.9152 41.8758 180.1548 82 K 2.7872 8.1058 124.0576 59.4629 31.2858 182.4503 83 A 4.1083 7.2329 120.5583 54.5043 18.6829 178.8287 84 A 4.5870 7.4891 118.0283 51.7465 18.1911 177.4807 85 H 3.4315 7.9934 112.8733 56.8602 26.8709 174.5539 86 Y 3.6140 7.7693 113.4191 59.3466 35.5884 169.0558 87 H 4.9957 7.9097 117.1945 54.6178 30.1853 175.0045 88 T 4.5990 8.6081 112.5865 61.4711 69.3509 173.6601 89 H 4.6406 8.1843 124.4508 56.4007 29.1267 174.1051 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 0 S 8.33 4.54 0.00 3.99 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 T 9.09 3.84 4.48 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 1.25 0.00 0.00 2 K 8.80 3.96 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.07 7.81 3 L 7.95 4.20 0.00 1.77 1.71 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.24 3.96 0.00 2.30 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 2.40 2.41 0.00 5 E 7.79 4.17 0.00 2.07 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 0.00 2.33 2.08 0.00 6 H 7.88 4.42 0.00 3.42 3.37 0.00 5.65 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 7 L 8.48 4.04 0.00 1.85 1.71 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.44 3.81 0.00 2.09 2.18 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 2.33 2.39 0.00 9 G 9.22 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 10 I 8.23 4.01 2.26 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.84 1.37 0.00 0.00 11 V 8.53 3.78 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 0.85 0.00 0.00 0.17 0.00 0.00 12 N 8.32 4.50 0.00 3.11 2.92 0.00 0.00 6.96 7.50 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 13 I 7.91 4.00 2.18 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 1.52 1.52 1.09 0.00 0.00 14 F 8.56 3.60 0.00 3.14 3.41 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 15 H 8.36 4.72 0.00 3.42 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.15 4.11 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.74 0.00 17 Y 7.95 3.73 0.00 3.18 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 18 S 8.18 3.96 0.00 3.97 3.31 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 19 V 8.13 3.88 2.50 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 0.94 0.00 0.00 0.99 0.00 0.00 20 R 7.57 4.17 0.00 2.07 1.99 0.00 3.32 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 21 K 7.66 4.19 0.00 1.71 1.56 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.18 1.13 7.81 22 G 8.62 4.18 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 0.00 0.00 0.00 *23 H 8.66 4.46 0.00 3.22 3.21 0.00 7.26 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.89 4.54 0.00 2.85 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 25 D 8.34 4.55 0.00 2.80 2.80 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 26 T 7.52 5.15 4.43 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 1.30 0.00 0.00 27 L 8.84 4.54 0.00 1.51 1.66 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.70 4.48 0.00 3.90 4.09 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 29 K 9.17 3.94 0.00 1.91 2.12 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.51 7.81 30 G 8.09 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 31 E 8.77 4.00 0.00 2.17 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 2.32 0.00 32 L 8.27 3.92 0.00 1.74 1.91 1.13 0.62 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 33 K 7.93 3.63 0.00 1.88 1.60 0.00 1.46 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.46 0.98 7.81 34 Q 7.90 3.89 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.67 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 35 L 8.11 3.48 0.00 1.07 1.51 0.11 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.03 4.01 0.00 1.89 1.82 1.08 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.86 3.97 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 1.24 0.00 0.00 38 K 7.90 4.12 0.00 1.92 1.89 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.54 7.81 39 E 8.38 4.41 0.00 2.09 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 2.52 2.55 0.00 40 L 7.83 4.84 0.00 1.99 1.61 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.94 4.23 1.44 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 0.00 0.00 42 N 7.96 4.40 0.00 2.74 2.91 0.00 0.00 6.88 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.94 4.04 4.40 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 1.18 0.00 0.00 44 I 8.04 3.71 2.06 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.47 0.93 0.00 0.00 45 K 7.56 4.16 0.00 1.87 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.39 1.36 7.81 46 N 8.48 5.20 0.00 2.97 2.85 0.00 0.00 6.62 6.78 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 47 I 7.46 4.76 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.52 0.83 0.00 0.00 *50 K 8.51 4.36 0.00 1.80 1.75 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 51 A 7.44 4.61 1.20 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 52 V 8.37 3.55 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 0.99 0.00 0.00 0.85 0.00 0.00 53 I 7.56 3.28 1.87 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 1.64 0.56 0.91 0.00 0.00 54 D 8.14 4.49 0.00 2.83 2.75 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 55 E 7.86 3.94 0.00 1.99 1.95 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 2.24 2.22 0.00 56 I 8.00 3.84 1.86 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 1.45 0.87 1.01 0.00 0.00 57 F 9.45 4.60 0.00 2.93 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 58 Q 8.58 4.22 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 59 G 8.28 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 0.00 0.00 0.00 60 L 7.86 4.26 0.00 1.78 1.71 0.96 1.14 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 61 D 7.58 4.52 0.00 2.80 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 62 A 7.90 3.93 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 63 N 8.11 4.85 0.00 2.81 2.81 0.00 0.00 6.93 7.83 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 64 Q 7.72 4.71 0.00 2.22 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.90 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 65 D 8.08 4.61 0.00 2.69 2.75 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 66 E 8.22 4.45 0.00 1.66 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 2.22 2.16 0.00 67 Q 8.64 4.77 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 68 V 9.00 4.68 2.14 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 0.87 0.00 0.00 1.06 0.00 0.00 69 D 8.39 5.40 0.00 2.87 2.90 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 70 F 8.64 3.04 0.00 2.39 2.82 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 0.00 0.00 0.00 71 Q 8.08 3.98 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 72 E 8.29 3.94 0.00 2.09 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 2.41 2.45 0.00 73 F 8.15 4.12 0.00 3.15 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 74 I 7.28 2.70 1.08 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.03 0.80 0.00 0.00 75 S 7.76 3.93 0.00 3.88 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 76 L 7.77 3.91 0.00 1.79 1.68 1.03 0.71 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 77 V 7.49 3.37 1.74 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 0.80 0.00 0.00 0.03 0.00 0.00 78 A 8.07 3.91 1.33 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 0.00 0.00 79 I 8.02 3.53 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.96 0.84 0.00 0.00 80 A 8.26 3.88 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 81 L 7.97 3.98 0.00 1.87 1.68 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.11 2.79 0.00 1.74 1.83 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.34 7.81 83 A 7.23 4.11 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 84 A 7.49 4.59 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 85 H 7.99 3.43 0.00 3.27 3.32 0.00 5.97 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.77 3.61 0.00 3.08 3.05 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 87 H 7.91 5.00 0.00 3.32 3.20 0.00 5.59 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.61 4.60 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 1.22 0.00 0.00 89 H 8.18 4.64 0.00 3.14 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.91 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.