NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7752 8.4093 117.7946 51.7030 40.1154 174.1981 4 T 4.7624 7.7143 106.5868 58.0311 71.5813 172.1704 5 T 4.6129 8.7535 113.8494 60.0444 72.7199 176.2568 6 Y 3.8793 8.5753 121.7444 61.1289 38.6300 178.5525 7 V 3.6566 7.9422 118.3222 66.0839 31.6803 177.7578 8 Q 4.0647 8.1520 117.7695 59.1816 28.5132 178.7756 9 E 4.0654 8.3655 119.5885 59.2706 29.4029 178.4868 10 Y 3.6983 8.1266 120.0960 61.2681 38.8460 178.3345 11 H 4.2339 8.5466 116.5903 58.4262 28.5967 177.7602 12 A 3.9923 7.9719 122.9039 55.2783 18.2871 179.7691 13 I 3.3318 7.5400 118.5732 64.3049 37.0475 178.8550 14 V 3.3838 7.5083 119.2613 65.7247 31.0172 177.5808 15 E 3.9077 7.7597 118.2436 59.1719 29.5811 178.8726 16 V 3.6609 7.4455 118.1817 66.1343 31.7110 178.1567 17 L 3.7762 8.1415 119.0020 57.5923 41.2308 179.4246 18 S 4.1027 8.5174 113.6726 61.1823 62.1318 176.4276 19 K 3.9762 7.8767 121.3125 59.3647 31.7671 178.5815 20 Y 4.2161 7.9609 119.2911 60.9217 38.8393 177.7987 21 N 4.1289 8.3065 117.3131 56.2545 38.6187 177.0887 22 E 4.0296 8.5763 121.2039 59.1950 29.6758 179.0824 23 G 3.6758 8.4398 106.2450 47.5429 0.0000 175.9250 24 G 3.5122 7.9842 108.0807 47.5935 0.0000 175.8017 25 K 4.0676 8.1656 122.6656 58.5818 32.0443 178.1485 26 K 4.2541 8.2375 115.7536 55.3086 33.1932 176.1549 27 A 3.7451 7.7410 121.7311 53.2234 16.7189 178.1289 28 D 4.6366 8.3063 120.4735 52.4733 43.0682 175.9408 29 S 4.1921 9.0990 123.1289 60.9014 63.2913 176.1527 30 T 3.8038 7.8568 111.1976 64.5537 68.5393 175.6645 31 I 3.8431 7.3038 118.9766 62.2632 36.8786 176.4711 *33 R 4.2365 8.0148 122.8915 55.8911 31.2703 175.7619 34 P 4.3711 0.0000 0.0000 65.0186 31.5861 177.1315 35 A 4.1314 8.1929 119.5719 53.5740 19.3915 176.9306 36 F 5.2308 8.1476 114.0389 55.4254 41.4411 176.1038 37 S 4.4701 9.0462 118.1777 58.0951 62.9379 175.2852 38 S 4.2058 9.0001 119.9193 61.2707 62.6426 175.0900 39 Q 4.3290 7.9635 117.6804 55.7026 28.8745 175.6939 40 A 5.1506 8.3113 121.4996 51.7977 19.8003 176.9525 41 T 4.6963 8.4499 109.1431 59.7459 72.8420 172.5240 42 I 4.9762 8.1668 122.2333 59.3549 41.4256 174.0978 43 F 5.4347 9.1681 126.4856 56.5032 43.9912 174.1926 44 G 3.5624 8.9479 107.3929 45.3132 0.0000 171.0987 45 V 4.8358 7.9857 118.9045 60.8502 33.7924 175.9397 46 D 4.8313 9.0701 127.0949 52.0026 41.1389 177.2858 47 V 3.6323 8.3145 117.6018 64.5442 31.2959 176.4288 48 D 4.6208 8.2612 118.4592 53.9838 40.7818 176.2705 49 N 4.4093 8.2975 115.3919 53.7614 36.6443 174.1647 50 K 4.4729 8.2492 118.2187 54.3170 33.7590 175.9821 51 L 4.3422 8.3392 123.9836 55.5779 42.6325 176.2849 52 T 4.7064 10.0399 120.4878 59.8826 70.7459 172.4794 53 G 3.7997 9.4304 115.3487 45.4776 0.0000 170.1753 54 G 3.6932 6.8608 112.9091 43.2726 0.0000 172.4843 55 P 4.3663 0.0000 0.0000 62.3820 31.8817 177.0777 56 I 3.2189 7.8214 121.3207 63.6622 37.5959 177.9761 57 Q 3.9107 7.9666 120.3647 59.2199 28.6585 178.6120 58 G 3.4601 7.8253 106.6485 47.3952 0.0000 175.3724 59 L 3.5969 7.3291 122.4498 57.9112 42.0134 178.9953 60 F 4.3765 7.2484 117.0637 60.7826 38.7689 177.1094 61 D 4.3505 8.3444 118.6902 57.5220 40.5763 179.1956 62 V 3.5252 7.5401 118.3966 65.8820 30.0560 178.1711 63 I 3.2250 7.6822 119.6472 64.5281 36.7762 178.2955 64 D 4.5897 8.3366 118.5606 56.4878 40.7208 177.5757 65 N 4.8506 8.3932 115.0916 52.9704 40.0766 175.4759 66 V 4.2400 7.7915 118.2866 64.2302 33.2999 176.2772 67 F 4.4615 7.6752 114.3751 57.8639 39.3250 174.1067 68 H 5.1627 8.1929 119.3679 53.0500 31.8315 172.2293 69 P 4.3998 0.0000 0.0000 63.8947 32.0084 176.8596 70 S 4.6823 9.4340 120.0106 55.3862 62.9416 172.7087 71 P 4.2250 0.0000 0.0000 65.5748 31.3204 178.0669 72 E 4.2746 8.0573 114.9536 56.1462 29.6818 176.1783 73 A 4.5798 7.6514 121.9569 51.6101 19.2461 177.6392 74 K 4.6430 8.9992 120.3856 54.5660 35.8060 175.2702 75 A 5.3435 8.8571 126.0723 50.0548 21.9572 175.3014 76 A 4.5646 9.1773 122.1794 50.2810 21.4048 175.9997 77 I 4.5648 8.5166 124.1093 60.3255 35.9718 176.2517 78 A 4.2512 8.6842 128.7717 54.8289 19.2379 177.9181 79 R 4.6566 7.5848 110.3062 55.5215 34.3122 174.2705 80 I 4.9943 8.5058 125.8176 59.8590 40.5033 174.1737 81 D 5.1213 8.9564 127.6674 52.1980 42.8180 175.8174 82 I 4.8078 8.5709 123.2158 59.5082 40.5765 175.2632 83 V 4.3332 8.9116 126.9914 61.5285 34.2709 176.7032 84 G 3.8895 8.5863 119.6763 47.2914 0.0000 173.7207 85 T 3.9845 8.7882 116.3843 61.2822 69.4466 173.3434 86 A 5.5462 8.2169 124.7065 50.5786 22.1349 175.2769 87 A 5.2165 9.3537 121.8588 50.5358 23.2520 175.3351 88 S 5.4120 9.0903 113.7952 56.6881 66.7361 172.8643 89 A 5.2640 9.2222 121.6478 50.5217 23.2847 174.8764 90 R 5.1327 9.1518 120.1535 54.5957 33.3332 174.4927 91 I 5.1582 8.8833 126.4771 59.6909 40.8761 173.9517 92 D 5.5483 9.0706 126.6511 52.9615 43.5799 175.5642 93 T 5.2023 9.0878 118.9924 62.0309 72.6589 172.5886 94 D 5.0587 9.1844 126.0146 52.8894 43.5525 176.1563 95 D 4.0603 8.3434 119.3364 55.5993 38.3922 174.0998 96 I 4.3611 7.8736 119.7843 59.9334 38.6857 174.9463 97 S 3.5910 9.9057 125.4291 59.1421 61.0661 173.0680 98 G 3.5761 8.2886 105.0844 44.7646 0.0000 173.3343 99 F 4.8408 7.8551 118.2961 55.3682 42.8602 174.3383 100 R 5.0001 8.0216 119.5189 54.7107 33.0115 173.9196 101 F 5.7561 9.2537 124.2009 56.1108 43.3349 174.0025 102 T 5.0675 9.0056 117.8941 61.9605 71.3165 172.9064 103 D 5.3270 9.1947 126.0297 52.4224 44.2601 174.9196 104 F 5.4932 8.8306 121.6362 55.7401 42.0139 174.4715 105 F 5.3609 9.5124 121.7604 55.7996 42.3784 173.6972 106 N 5.3918 9.1027 120.9690 51.8689 40.4910 174.1715 107 L 5.4916 9.1860 122.8960 53.0466 46.4470 175.5177 108 L 5.2508 8.9643 120.3621 53.0254 46.1520 176.1591 109 K 3.8257 8.2971 124.8432 55.0177 31.7237 175.3076 110 V 4.0313 8.4007 127.5110 61.9077 32.8482 175.8914 111 E 3.7075 9.7674 128.0569 57.5285 26.9228 175.8532 112 G 3.8803 8.2371 104.0584 45.2562 0.0000 173.5753 113 K 4.6245 7.7451 119.2726 53.9354 35.7994 175.8681 114 W 4.6818 8.8246 124.5307 57.1247 30.0409 175.5877 115 T 4.7791 8.9578 117.6343 60.4446 71.0068 172.7406 116 V 4.3078 8.7809 129.1273 63.0804 32.3131 176.5638 117 V 4.4025 9.1063 120.4135 61.7121 34.2808 175.5424 118 S 5.1356 7.9678 115.0590 56.6553 66.0990 172.3691 119 K 4.9223 9.1679 128.1904 54.4220 35.0045 174.7273 120 I 5.7879 8.9688 120.0552 58.6020 41.1584 173.6268 121 Y 5.3287 7.8017 119.2387 55.9566 41.3002 173.3722 122 H 4.9633 9.5553 120.7022 54.7895 33.0001 172.4499 123 T 5.0379 8.4248 122.1328 62.6862 69.3468 174.4267 124 H 4.6799 9.1435 125.0028 54.2227 30.0520 174.0712 125 P 4.4161 0.0000 0.0000 63.2376 31.1493 176.2401 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 3 N 8.41 4.78 0.00 2.76 2.80 0.00 0.00 6.52 6.83 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 4 T 7.71 4.76 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 1.29 0.00 0.00 5 T 8.75 4.61 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 1.26 0.00 0.00 6 Y 8.58 3.88 0.00 3.14 3.06 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 7 V 7.94 3.66 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 1.19 0.00 0.00 0.96 0.00 0.00 8 Q 8.15 4.06 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 9 E 8.37 4.07 0.00 1.83 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 2.60 2.60 0.00 10 Y 8.13 3.70 0.00 2.81 2.96 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 11 H 8.55 4.23 0.00 3.27 3.34 0.00 5.68 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 12 A 7.97 3.99 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.54 3.33 1.25 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 -0.36 0.46 0.00 0.00 14 V 7.51 3.38 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 0.82 0.00 0.00 0.20 0.00 0.00 15 E 7.76 3.91 0.00 2.11 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 2.31 0.00 16 V 7.45 3.66 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 0.84 0.00 0.00 1.05 0.00 0.00 17 L 8.14 3.78 0.00 1.44 1.45 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.52 4.10 0.00 3.86 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 19 K 7.88 3.98 0.00 1.98 2.07 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.64 7.81 20 Y 7.96 4.22 0.00 3.06 3.11 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 21 N 8.31 4.13 0.00 2.92 2.85 0.00 0.00 6.73 7.28 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 22 E 8.58 4.03 0.00 2.06 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 2.30 2.32 0.00 23 G 8.44 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.98 3.51 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 0.00 25 K 8.17 4.07 0.00 1.97 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.66 7.81 26 K 8.24 4.25 0.00 1.82 1.84 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.62 7.81 27 A 7.74 3.75 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 28 D 8.31 4.64 0.00 2.62 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 0.00 0.00 0.00 0.00 29 S 9.10 4.19 0.00 3.77 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 30 T 7.86 3.80 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 1.13 0.00 0.00 31 I 7.30 3.84 1.97 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 1.17 0.61 0.93 0.00 0.00 *33 R 8.01 4.24 0.00 1.20 1.71 0.00 3.02 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.42 0.00 34 P 0.00 4.37 0.00 2.09 2.11 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 35 A 8.19 4.13 1.05 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 36 F 8.15 5.23 0.00 3.21 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 37 S 9.05 4.47 0.00 3.97 3.91 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 38 S 9.00 4.21 0.00 4.05 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 39 Q 7.96 4.33 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 40 A 8.31 5.15 1.56 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 41 T 8.45 4.70 3.98 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 0.00 0.00 1.24 0.00 0.00 42 I 8.17 4.98 1.58 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.59 0.62 0.00 0.00 43 F 9.17 5.43 0.00 2.93 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 44 G 8.95 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 45 V 7.99 4.84 2.05 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 0.92 0.00 0.00 0.87 0.00 0.00 46 D 9.07 4.83 0.00 2.94 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 47 V 8.31 3.63 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 0.78 0.00 0.00 0.96 0.00 0.00 48 D 8.26 4.62 0.00 2.83 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 49 N 8.30 4.41 0.00 2.89 2.97 0.00 0.00 6.85 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.25 4.47 0.00 2.11 1.71 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.36 7.81 51 L 8.34 4.34 0.00 1.49 1.54 0.71 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 T 10.04 4.71 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 1.34 0.00 0.00 53 G 9.43 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 54 G 6.86 3.69 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 0.00 0.00 0.00 55 P 0.00 4.37 0.00 2.06 1.90 0.00 3.48 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 56 I 7.82 3.22 1.63 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 -0.27 0.64 0.00 0.00 57 Q 7.97 3.91 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 58 G 7.83 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 59 L 7.33 3.60 0.00 1.33 1.12 0.63 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.25 4.38 0.00 3.12 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 61 D 8.34 4.35 0.00 2.78 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 62 V 7.54 3.53 1.92 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 0.93 0.00 0.00 0.90 0.00 0.00 63 I 7.68 3.22 1.92 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.80 0.85 0.00 0.00 64 D 8.34 4.59 0.00 2.69 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 65 N 8.39 4.85 0.00 2.75 2.86 0.00 0.00 6.78 8.51 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 66 V 7.79 4.24 2.41 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 1.01 0.00 0.00 0.99 0.00 0.00 67 F 7.68 4.46 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.19 5.16 0.00 3.01 3.16 0.00 5.68 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 69 P 0.00 4.40 0.00 1.96 2.04 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.31 0.00 70 S 9.43 4.68 0.00 3.71 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 71 P 0.00 4.22 0.00 2.17 2.20 0.00 3.83 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 1.98 2.00 0.00 72 E 8.06 4.27 0.00 1.96 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 2.28 2.23 0.00 73 A 7.65 4.58 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.00 4.64 0.00 1.71 1.69 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.37 7.81 75 A 8.86 5.34 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.18 4.56 1.23 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 0.00 0.00 77 I 8.52 4.56 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.83 0.84 0.00 0.00 78 A 8.68 4.25 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 79 R 7.58 4.66 0.00 1.97 1.84 0.00 3.33 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 80 I 8.51 4.99 1.94 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.76 0.68 0.00 0.00 81 D 8.96 5.12 0.00 2.72 2.65 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 82 I 8.57 4.81 1.34 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.26 0.81 0.00 0.00 83 V 8.91 4.33 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 1.04 0.00 0.00 1.02 0.00 0.00 84 G 8.59 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 85 T 8.79 3.98 4.08 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 0.00 0.00 0.00 1.11 0.00 0.00 86 A 8.22 5.55 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 87 A 9.35 5.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 9.09 5.41 0.00 3.94 3.98 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 0.00 0.00 0.00 89 A 9.22 5.26 1.14 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 0.00 0.00 90 R 9.15 5.13 0.00 2.14 1.88 0.00 3.24 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.14 0.00 91 I 8.88 5.16 2.20 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.62 1.16 0.00 0.00 92 D 9.07 5.55 0.00 2.70 2.59 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 93 T 9.09 5.20 4.53 0.00 0.00 0.00 0.00 0.00 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 94 D 9.18 5.06 0.00 2.58 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.34 4.06 0.00 2.85 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 96 I 7.87 4.36 2.01 0.00 0.00 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 1.40 1.73 1.31 0.00 0.00 97 S 9.91 3.59 0.00 3.39 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 98 G 8.29 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 7.86 4.84 0.00 2.62 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 0.00 0.00 0.00 100 R 8.02 5.00 0.00 1.77 1.66 0.00 3.04 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.77 0.00 101 F 9.25 5.76 0.00 3.12 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 0.00 102 T 9.01 5.07 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 0.77 0.00 0.00 103 D 9.19 5.33 0.00 2.77 2.05 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 0.00 104 F 8.83 5.49 0.00 2.91 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 0.00 105 F 9.51 5.36 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 9.10 5.39 0.00 2.72 2.80 0.00 0.00 6.43 6.31 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 0.00 107 L 9.19 5.49 0.00 1.71 1.84 0.89 0.33 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 0.00 108 L 8.96 5.25 0.00 1.56 1.44 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.30 3.83 0.00 0.79 0.95 0.00 1.13 0.00 0.00 1.23 0.00 0.00 2.63 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.83 0.21 7.81 110 V 8.40 4.03 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 0.96 0.00 0.00 0.87 0.00 0.00 111 E 9.77 3.71 0.00 2.05 1.92 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 2.19 2.23 0.00 112 G 8.24 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.75 4.62 0.00 1.71 1.66 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.25 7.81 114 W 8.82 4.68 0.00 3.11 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 0.00 115 T 8.96 4.78 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 1.28 0.00 0.00 116 V 8.78 4.31 1.61 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 1.18 0.00 0.00 0.61 0.00 0.00 117 V 9.11 4.40 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 0.70 0.00 0.00 1.05 0.00 0.00 118 S 7.97 5.14 0.00 3.92 3.70 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 0.00 119 K 9.17 4.92 0.00 1.64 1.49 0.00 1.40 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.97 0.21 7.81 120 I 8.97 5.79 1.90 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 1.01 1.19 0.97 0.00 0.00 121 Y 7.80 5.33 0.00 2.96 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 0.00 122 H 9.56 4.96 0.00 3.25 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.42 5.04 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 1.15 0.00 0.00 124 H 9.14 4.68 0.00 3.06 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.42 0.00 2.20 2.07 0.00 3.89 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 2.03 2.00 0.00 * Residues marked with a * may have inaccurate shift predictions.