NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4626 8.1927 115.4140 58.0656 64.7324 174.3134 3 H 3.9508 8.6676 119.9863 59.0525 29.6273 175.6393 4 D 4.5080 8.2862 120.5145 57.3743 41.0663 178.3858 5 V 3.5835 8.0066 118.8617 65.6585 31.5375 177.7941 6 K 3.8418 8.0328 119.7486 59.6964 32.0491 178.5650 7 E 3.9633 8.2242 117.6396 59.0152 29.4641 178.9142 8 L 3.9166 8.0012 121.4353 58.0139 42.1240 178.8349 9 I 3.6815 8.0688 120.1664 64.5077 37.0584 177.9798 10 E 4.0393 8.3310 119.4577 59.4812 29.2341 179.7303 11 G 3.5857 7.9939 105.2287 47.9964 0.0000 175.4733 12 L 4.2937 8.1737 123.9651 56.9159 41.6648 179.6240 13 N 4.4623 8.5328 116.4514 56.0551 38.4020 177.3236 14 E 3.9321 8.1093 120.0987 59.5269 29.0852 178.8157 15 D 4.2108 8.1619 118.9558 57.4218 40.9136 178.8736 16 L 3.7735 8.4814 120.4672 58.1317 42.0902 178.6854 17 A 4.2296 8.1529 120.7767 55.3782 18.2934 179.9001 18 G 3.5160 8.2540 104.1094 47.8261 0.0000 175.8911 19 E 4.0240 8.3214 121.1598 59.5240 29.5122 179.0332 20 Y 4.3941 7.9078 116.8489 61.0819 37.6555 178.5676 21 S 4.1109 8.1981 113.1365 61.3946 62.5795 175.8273 22 A 4.0364 7.8296 122.2466 55.0506 18.4053 179.2539 23 I 4.0092 8.0079 118.3518 64.6732 37.1820 179.3469 24 I 3.5080 7.6751 116.7156 62.6689 36.7385 177.3866 *26 Y 4.6428 7.8203 120.1041 58.1940 40.0504 177.0289 27 N 4.2945 8.3687 117.7240 56.9930 39.1490 176.1565 28 H 4.0292 8.5493 119.9670 59.6441 29.9092 176.9145 29 N 4.0931 7.9355 117.2931 55.9241 38.0318 177.1008 30 A 4.2284 8.0121 121.4572 55.2276 18.5746 179.2405 31 A 4.1050 8.0690 118.5016 54.8207 18.5914 179.0480 32 T 4.3269 7.4289 105.2273 61.0115 70.2964 175.6718 33 V 3.8055 7.2902 122.3244 61.8161 31.8916 175.2590 34 S 4.6631 8.2074 116.1365 57.2008 66.3669 173.7333 35 G 3.8052 8.5667 108.1205 45.0634 0.0000 174.4937 36 I 3.6648 7.7270 118.7145 64.3839 36.8302 177.8719 37 Y 4.3701 7.0724 116.9098 58.5629 38.0172 177.2840 38 R 3.9925 8.4756 121.8245 60.2476 29.8371 178.0238 39 Q 4.0478 7.8502 115.9357 58.7936 28.4362 178.8379 40 V 3.7757 7.6137 118.7654 65.8918 31.7582 177.9026 41 L 3.6521 8.6393 118.9986 56.9045 41.4913 178.8444 42 K 4.0443 8.2179 119.8491 59.5784 32.0398 176.9245 43 P 4.2423 0.0000 0.0000 65.3505 31.2553 178.3000 44 F 4.0989 7.6894 119.2188 61.2817 39.2017 176.8663 45 F 4.1519 8.0249 117.5617 60.9045 38.5737 177.3643 46 E 3.9844 8.5162 118.3294 59.7552 29.3563 179.8176 47 S 4.1382 8.1638 114.0652 61.5022 63.0055 176.4380 48 E 3.6702 7.4961 121.5596 58.6264 28.8568 179.0076 49 I 3.7096 7.2402 119.9965 64.8367 37.3862 178.2573 50 S 4.0793 7.5253 113.4695 61.1702 62.0556 175.6753 51 D 4.1999 7.6053 119.4033 57.5565 41.0652 178.2466 52 E 4.0256 8.2390 118.9386 59.2798 29.4007 179.2588 53 Q 4.1794 8.3735 118.5502 59.0969 28.8159 179.3195 54 G 3.6303 8.0213 106.2885 48.0257 0.0000 175.5961 55 H 4.3747 7.9954 118.0858 58.5448 28.7211 177.6281 56 A 3.8240 8.4782 123.0692 55.0191 18.2122 179.3774 57 L 3.9030 8.0573 118.7317 58.4802 42.1568 178.4563 58 Y 3.9927 8.0905 119.3445 60.7180 38.6975 178.2197 59 L 3.8988 8.3161 119.6899 57.8300 41.7904 179.3833 60 A 4.0428 8.1031 120.7294 55.0673 18.1774 179.5413 61 E 3.8153 8.1403 117.1231 59.4145 29.5306 179.5262 62 K 3.7175 7.7805 119.6551 59.2734 32.1002 178.7061 63 I 3.6328 7.9922 120.5503 64.3789 37.1157 178.1015 64 K 4.0020 7.9276 120.1267 60.1069 31.7889 178.8414 65 T 3.8968 7.9034 114.7801 66.3233 68.4251 175.6947 66 L 4.3640 7.8551 118.2132 54.8127 41.9375 177.6506 67 G 3.8453 8.0806 107.8366 45.2466 0.0000 173.8695 68 G 3.9284 7.8949 109.3057 44.3362 0.0000 173.1880 69 T 4.4947 8.0231 115.5066 60.7831 70.0112 172.8806 70 P 4.5546 0.0000 0.0000 62.2965 31.9389 176.5764 71 T 4.1099 9.2312 118.8232 62.5708 67.8014 173.7051 72 T 4.4432 8.4178 114.4271 61.1896 69.2368 173.4945 73 I 4.2858 7.6584 123.7102 59.1912 37.8345 173.9859 74 P 4.7930 0.0000 0.0000 61.8891 32.1518 176.2935 75 L 4.1833 8.1299 119.7386 54.4698 42.1978 177.5061 76 R 4.0271 8.2550 117.0600 56.2393 30.0656 176.0299 77 V 4.1605 7.9301 119.4960 60.8333 32.7490 175.8810 78 K 3.9875 8.4431 127.0619 56.4391 32.4935 176.1521 79 Q 4.1353 8.6346 124.4718 55.2765 29.6150 174.5365 80 A 4.7486 8.4895 128.4828 50.8203 20.2743 176.3277 81 E 4.2822 9.2212 123.0815 57.1863 30.0625 175.5596 82 D 4.4963 7.2358 116.4829 52.3689 41.8376 175.7560 83 V 3.6372 8.5160 118.8618 66.0938 31.7951 176.8233 84 R 3.9963 8.2137 119.4820 59.6609 29.9141 179.8411 85 E 3.5638 8.3502 117.1995 56.2312 29.2796 179.2782 *87 L 4.4405 8.0781 120.6173 55.0414 43.9217 179.3357 88 E 4.0714 8.5072 118.4800 59.7400 29.3051 179.0586 89 Y 4.3065 8.3505 116.9321 60.8744 37.8078 178.2372 90 A 3.9475 8.0737 121.4937 55.0494 18.5117 179.4127 91 R 3.9495 8.2502 117.2587 59.7007 30.1148 178.5810 92 Q 4.0012 8.4742 119.5563 59.1710 29.0091 177.8668 93 S 4.0948 8.2937 114.2672 61.6090 62.3763 176.0621 94 E 4.0283 8.5192 121.2209 59.4910 29.1959 178.5339 95 Y 4.0771 8.4373 119.8759 61.0417 38.8917 178.2988 96 E 3.9084 8.6199 119.4582 59.5548 29.4924 179.5232 97 T 3.6129 8.1083 116.0064 66.6251 68.4263 176.7890 98 I 3.7754 7.8123 121.7263 64.0209 37.0971 178.2663 99 K 3.6881 7.8276 120.5201 59.5317 31.8997 178.7914 100 R 3.7993 7.7449 118.0176 59.7144 30.0484 178.6332 101 Y 4.4633 7.7523 116.2121 61.2149 37.6697 178.6873 102 E 3.9886 8.5685 119.8145 59.1782 29.5621 179.2908 103 K 3.8856 7.9804 119.5482 59.6210 32.3491 178.6604 104 R 4.1871 8.3006 120.6642 58.6690 29.8942 178.1927 105 K 3.8877 8.6500 119.6597 59.7891 32.2245 178.6846 106 E 4.1561 8.0675 118.4812 59.0467 28.8101 179.2812 107 Q 3.9531 8.1497 118.1682 58.9636 28.6295 178.6744 108 A 4.0006 8.3327 120.2417 55.0769 18.6817 179.1619 109 A 4.0845 8.4721 119.5117 55.5904 18.3047 179.5815 110 N 4.3568 7.9994 113.4153 55.9052 38.5532 176.5193 111 L 4.5231 7.3637 117.8004 52.4444 42.0773 173.1057 112 N 3.8717 7.8141 122.2722 53.6402 38.9815 173.9328 *114 T 4.3681 8.2158 118.7665 63.5992 70.8830 175.6907 115 E 3.9337 8.1623 120.7641 59.4551 29.4965 178.7214 116 L 4.0587 7.8559 119.7386 57.9607 42.2740 178.7392 117 V 3.5308 7.7600 117.7911 66.0912 31.4852 177.8745 118 V 3.5290 7.7721 117.7970 66.0076 31.0973 177.9425 119 K 3.7324 7.7736 118.1148 59.2703 32.0276 178.5544 120 L 3.7645 7.9555 118.9587 57.4955 41.7198 178.8580 121 E 4.1147 8.4773 119.0032 59.4580 29.3655 179.9061 122 D 4.5690 7.8021 115.3241 55.0088 40.4959 178.3757 *124 I 4.0368 7.7229 121.7431 61.4999 39.3105 177.9068 125 A 3.9276 8.1394 121.8883 55.2178 18.1928 179.0139 126 D 4.1931 8.3787 116.8932 57.7886 41.0663 178.5076 127 E 4.0827 8.0498 117.0488 59.4854 29.6112 178.9710 128 T 4.0804 7.9762 115.5545 66.4301 68.7765 175.9139 129 N 4.5480 8.3133 118.6464 56.8486 38.6252 178.0651 130 H 4.3164 7.7829 113.4833 56.7751 28.6497 177.1597 *132 E 4.3293 8.1573 123.0842 56.5203 31.5965 177.9925 133 E 3.9279 8.3627 119.0333 59.2724 29.5902 178.7396 134 L 3.9955 8.1692 119.0410 58.0637 41.7088 179.2663 135 D 4.3749 8.1523 118.2242 57.3761 40.5442 178.9943 136 R 3.9061 7.5692 117.2240 59.2460 30.1839 178.6388 137 L 4.0257 7.8536 117.8158 57.8925 41.6649 179.3439 138 L 4.1741 8.1288 117.9332 56.4423 41.7103 176.8348 139 N 4.5788 8.0498 120.3185 53.2358 38.8581 174.2747 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 S 8.19 4.46 0.00 4.04 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 3 H 8.67 3.95 0.00 3.37 3.37 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.29 4.51 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.58 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 1.05 0.00 0.00 0.93 0.00 0.00 6 K 8.03 3.84 0.00 1.92 1.94 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.44 7.81 7 E 8.22 3.96 0.00 2.20 2.13 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 2.45 2.28 0.00 8 L 8.00 3.92 0.00 1.86 1.92 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.07 3.68 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 1.51 0.59 0.91 0.00 0.00 10 E 8.33 4.04 0.00 2.14 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 2.33 2.34 0.00 11 G 7.99 3.59 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 0.00 0.00 0.00 12 L 8.17 4.29 0.00 1.83 1.78 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.53 4.46 0.00 2.96 2.87 0.00 0.00 7.02 8.47 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 14 E 8.11 3.93 0.00 2.15 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 2.31 2.63 0.00 15 D 8.16 4.21 0.00 2.94 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 16 L 8.48 3.77 0.00 1.75 1.80 0.43 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.15 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 18 G 8.25 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.32 4.02 0.00 1.94 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 2.57 2.57 0.00 20 Y 7.91 4.39 0.00 3.17 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 21 S 8.20 4.11 0.00 4.15 4.10 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 22 A 7.83 4.04 1.48 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 23 I 8.01 4.01 2.16 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.75 1.00 0.00 0.00 24 I 7.68 3.51 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 1.54 0.76 0.90 0.00 0.00 *26 Y 7.82 4.64 0.00 3.15 3.10 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 27 N 8.37 4.29 0.00 2.82 2.99 0.00 0.00 6.81 8.05 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 28 H 8.55 4.03 0.00 3.26 3.29 0.00 5.83 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 29 N 7.94 4.09 0.00 2.05 1.42 0.00 0.00 6.97 7.94 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 30 A 8.01 4.23 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 4.10 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 32 T 7.43 4.33 4.17 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 1.04 0.00 0.00 33 V 7.29 3.81 2.28 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 1.04 0.00 0.00 1.09 0.00 0.00 34 S 8.21 4.66 0.00 3.99 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 35 G 8.57 3.81 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 0.00 0.00 0.00 36 I 7.73 3.66 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.83 0.86 0.00 0.00 37 Y 7.07 4.37 0.00 3.13 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 38 R 8.48 3.99 0.00 2.17 2.27 0.00 3.37 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 39 Q 7.85 4.05 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 40 V 7.61 3.78 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 1.00 0.00 0.00 0.92 0.00 0.00 41 L 8.64 3.65 0.00 1.68 1.30 0.59 0.69 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 42 K 8.22 4.04 0.00 1.95 2.01 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.62 7.81 43 P 0.00 4.24 0.00 2.22 2.11 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 44 F 7.69 4.10 0.00 2.79 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 45 F 8.02 4.15 0.00 3.28 3.23 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 46 E 8.52 3.98 0.00 2.20 2.02 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 2.41 2.58 0.00 47 S 8.16 4.14 0.00 3.93 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 48 E 7.50 3.67 0.00 1.16 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 1.51 1.47 0.00 49 I 7.24 3.71 2.04 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 1.50 0.83 0.95 0.00 0.00 50 S 7.53 4.08 0.00 3.83 3.81 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 51 D 7.61 4.20 0.00 2.81 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 52 E 8.24 4.03 0.00 2.11 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 0.00 2.61 2.70 0.00 53 Q 8.37 4.18 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 54 G 8.02 3.63 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 0.00 0.00 0.00 55 H 8.00 4.37 0.00 3.38 3.45 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.48 3.82 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 57 L 8.06 3.90 0.00 1.92 1.90 0.95 0.76 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 58 Y 8.09 3.99 0.00 3.18 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 59 L 8.32 3.90 0.00 1.87 1.72 1.13 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.10 4.04 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 61 E 8.14 3.82 0.00 1.99 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 2.42 0.00 62 K 7.78 3.72 0.00 1.24 1.61 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.44 7.81 63 I 7.99 3.63 2.00 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 1.40 0.59 0.90 0.00 0.00 64 K 7.93 4.00 0.00 1.86 1.93 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.52 7.81 65 T 7.90 3.90 4.32 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 1.18 0.00 0.00 66 L 7.86 4.36 0.00 1.73 1.69 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.08 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.89 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 69 T 8.02 4.49 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 70 P 0.00 4.55 0.00 2.09 2.03 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 71 T 9.23 4.11 4.28 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 1.36 0.00 0.00 72 T 8.42 4.44 4.11 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 0.00 0.00 1.19 0.00 0.00 73 I 7.66 4.29 1.89 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 1.34 0.63 0.92 0.00 0.00 74 P 0.00 4.79 0.00 2.22 2.13 0.00 3.75 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 1.99 1.97 0.00 75 L 8.13 4.18 0.00 1.65 1.63 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.26 4.03 0.00 1.89 1.91 0.00 2.99 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 77 V 7.93 4.16 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 0.75 0.00 0.00 0.93 0.00 0.00 78 K 8.44 3.99 0.00 1.74 1.63 0.00 1.17 0.00 0.00 0.79 0.00 0.00 2.72 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.25 1.26 7.81 79 Q 8.63 4.14 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 80 A 8.49 4.75 1.11 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 0.00 0.00 0.00 0.00 0.00 81 E 9.22 4.28 0.00 1.95 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 2.48 2.41 0.00 82 D 7.24 4.50 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.52 3.64 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 0.42 0.00 0.00 1.01 0.00 0.00 84 R 8.21 4.00 0.00 1.89 2.02 0.00 3.27 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 85 E 8.35 3.56 0.00 2.03 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 2.01 2.13 0.00 *87 L 8.08 4.44 0.00 1.85 1.82 0.83 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.51 4.07 0.00 1.95 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 2.36 2.47 0.00 89 Y 8.35 4.31 0.00 2.92 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.07 3.95 1.46 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 91 R 8.25 3.95 0.00 2.15 2.20 0.00 3.30 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 92 Q 8.47 4.00 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 93 S 8.29 4.09 0.00 3.91 4.12 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 94 E 8.52 4.03 0.00 2.31 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 2.72 2.65 0.00 95 Y 8.44 4.08 0.00 3.11 3.16 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 96 E 8.62 3.91 0.00 2.04 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 2.45 2.72 0.00 97 T 8.11 3.61 4.39 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 1.08 0.00 0.00 98 I 7.81 3.78 1.88 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 1.46 0.82 0.87 0.00 0.00 99 K 7.83 3.69 0.00 1.38 1.73 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.38 7.81 100 R 7.74 3.80 0.00 1.76 1.94 0.00 3.15 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 101 Y 7.75 4.46 0.00 3.07 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.57 3.99 0.00 2.11 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 2.49 2.43 0.00 103 K 7.98 3.89 0.00 1.83 1.95 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 104 R 8.30 4.19 0.00 2.21 2.14 0.00 3.50 0.00 0.00 3.46 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 105 K 8.65 3.89 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.46 7.81 106 E 8.07 4.16 0.00 1.98 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 2.33 2.49 0.00 107 Q 8.15 3.95 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 108 A 8.33 4.00 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 0.00 109 A 8.47 4.08 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 0.00 110 N 8.00 4.36 0.00 2.95 2.92 0.00 0.00 7.07 7.70 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 0.00 111 L 7.36 4.52 0.00 1.73 1.68 0.96 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 112 N 7.81 3.87 0.00 2.82 2.82 0.00 0.00 6.86 7.08 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 *114 T 8.22 4.37 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 1.21 0.00 0.00 115 E 8.16 3.93 0.00 2.01 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 2.42 2.37 0.00 116 L 7.86 4.06 0.00 1.86 1.68 1.08 0.92 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 0.00 117 V 7.76 3.53 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 0.97 0.00 0.00 0.93 0.00 0.00 118 V 7.77 3.53 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 0.88 0.00 0.00 0.94 0.00 0.00 119 K 7.77 3.73 0.00 1.49 1.54 0.00 1.30 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.30 0.64 7.81 120 L 7.96 3.76 0.00 1.66 1.60 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.48 4.11 0.00 2.12 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 2.29 2.41 0.00 122 D 7.80 4.57 0.00 2.70 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 *124 I 7.72 4.04 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 1.43 0.70 0.96 0.00 0.00 125 A 8.14 3.93 1.34 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 0.00 0.00 0.00 126 D 8.38 4.19 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.05 4.08 0.00 2.06 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 0.00 2.44 2.56 0.00 128 T 7.98 4.08 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 1.24 0.00 0.00 129 N 8.31 4.55 0.00 2.92 2.92 0.00 0.00 7.03 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 0.00 130 H 7.78 4.32 0.00 3.56 3.42 0.00 5.66 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *132 E 8.16 4.33 0.00 2.33 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 2.42 0.00 133 E 8.36 3.93 0.00 2.17 2.24 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 2.29 2.16 0.00 134 L 8.17 4.00 0.00 1.87 1.82 1.21 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.15 4.37 0.00 2.90 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 0.00 136 R 7.57 3.91 0.00 1.96 1.95 0.00 3.34 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 137 L 7.85 4.03 0.00 1.63 1.58 0.21 0.91 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 0.00 138 L 8.13 4.17 0.00 1.78 1.72 0.95 1.27 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 0.00 139 N 8.05 4.58 0.00 2.79 2.68 0.00 0.00 6.85 7.11 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 * Residues marked with a * may have inaccurate shift predictions.