NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.2917 8.0932 114.8176 57.8409 64.4756 174.4172 2 L 4.1543 8.4874 120.8810 57.0969 41.2173 178.7243 3 L 4.0213 8.5118 120.7871 57.9087 41.9910 178.8610 4 E 4.0607 8.0748 118.0476 59.2281 29.2809 179.0779 5 F 4.7194 8.4122 120.6661 61.5526 39.6342 177.3458 6 G 3.5829 8.4110 105.4948 47.6460 0.0000 175.5400 7 K 3.9789 8.1078 121.6621 59.4254 32.2891 178.3508 8 M 4.0465 8.3236 118.7064 59.0242 32.0331 178.1090 9 I 3.5970 7.8195 119.8964 64.2460 37.1415 178.2158 10 L 4.6471 7.6276 121.7521 57.9461 41.7902 178.7540 11 E 3.9782 8.2766 117.4225 59.4826 29.4198 179.1957 12 E 4.1216 8.0489 117.8886 59.4372 29.8615 178.7453 13 T 4.2972 8.1726 107.9135 61.8833 69.7529 175.6626 14 G 3.8512 8.2311 110.6529 45.2557 0.0000 173.2795 *16 K 4.2840 7.5089 117.0407 56.1899 32.9462 174.4512 17 L 4.6144 8.0103 120.2594 53.4840 43.0091 177.5294 18 A 4.0939 8.8010 126.7334 54.9023 18.3587 177.2023 19 I 4.7295 7.6190 115.1071 59.2381 38.8518 173.6906 20 P 5.3178 0.0000 0.0000 62.1735 31.7996 176.8969 21 S 4.3133 7.6935 115.5020 61.1467 62.6552 174.8481 22 Y 4.7619 8.6089 115.2524 57.6268 38.6201 176.5144 23 S 4.7191 8.1689 116.6258 59.7192 64.2356 175.1117 24 S 5.1115 7.8297 116.8742 57.4933 62.6592 172.4358 25 Y 4.8378 7.9944 118.9007 58.4136 40.6930 175.6409 26 G 3.7238 7.5988 115.4719 47.3402 0.0000 173.2755 27 C 4.6344 8.9844 114.9092 57.4830 39.7624 174.5160 28 Y 4.5487 8.4337 115.6562 57.9739 39.3625 175.1504 29 C 4.7096 8.3036 118.4218 58.1179 41.2270 173.6897 30 G 4.1927 9.0701 110.1816 44.9280 0.0000 171.9208 31 W 4.3438 9.0908 130.0123 57.7131 32.0847 175.7729 32 G 3.2753 8.3672 111.0536 47.3946 0.0000 172.9741 33 G 3.9739 8.1411 101.1063 43.0907 0.0000 173.1268 34 K 4.3159 6.7947 118.5764 57.5858 34.5946 175.4942 35 G 3.9571 9.0011 106.7876 44.5536 0.0000 172.1909 36 T 4.2436 7.5036 115.0396 61.6147 69.1086 173.5986 37 P 4.6154 0.0000 0.0000 62.8685 31.9659 176.7900 38 K 3.9290 9.8140 123.5978 58.9503 32.4363 176.3707 39 D 4.4640 7.2015 115.4568 51.2934 42.0024 174.9018 40 A 3.9761 8.7885 119.4840 56.2296 18.2980 180.0451 41 T 4.0733 8.0036 113.5704 66.6597 68.4766 175.9822 42 D 4.7060 8.3468 120.0064 56.8125 41.3073 178.2790 43 R 3.9502 8.0062 119.6002 59.3322 30.0037 177.7894 44 C 4.2485 8.3567 116.5671 60.1401 36.5838 175.4844 45 C 4.3839 8.0825 116.6744 60.0100 40.9765 175.8017 46 F 3.7639 8.2738 122.2581 61.3150 38.8616 177.3959 47 V 3.2656 7.9391 117.7832 65.8294 31.1967 177.4406 48 H 3.7690 8.1676 118.0622 59.2969 29.6553 176.6973 49 D 4.2231 8.3014 120.8903 57.8634 40.4752 178.5085 50 C 4.0340 7.5366 115.3929 59.7829 34.6277 175.2105 51 C 4.2565 8.2137 120.4760 60.0327 37.6228 175.2176 52 Y 4.2950 8.0663 118.7349 61.1326 37.1301 178.9627 53 G 3.7557 8.0608 106.3962 46.8571 0.0000 173.5309 54 N 4.9351 7.7827 116.7110 52.7823 38.4415 175.4787 55 L 4.8062 7.4145 113.9398 53.5584 42.4675 174.8858 56 P 4.2025 0.0000 0.0000 65.7844 32.2969 178.5300 *59 D 4.9891 7.8186 115.3805 54.3759 42.4354 175.5267 *61 C 5.3043 7.6954 115.7696 57.3454 38.5174 173.0264 *67 N 5.1570 7.9397 116.0487 52.4257 38.6496 173.2625 68 P 3.9716 0.0000 0.0000 65.3431 31.9540 179.2009 69 K 4.1501 7.9595 116.8557 58.3872 32.1814 178.4936 70 S 4.5813 7.7683 110.4588 57.9600 64.9341 173.7258 71 D 4.4543 8.4370 122.0691 53.9260 41.3260 175.7021 72 R 4.4624 8.4063 125.8082 55.5476 31.2839 174.8513 73 Y 5.0025 7.4609 116.8300 55.4147 41.5739 174.1660 74 K 4.9640 8.6999 118.2787 54.8859 35.3208 175.1735 75 Y 5.4731 8.3709 120.7842 55.5372 41.3216 173.6968 76 K 4.6446 9.2776 120.1737 55.1564 36.7814 174.6758 77 R 4.9896 8.4416 118.0152 54.8155 32.4869 176.7188 78 V 3.9648 8.7636 126.1797 62.3195 30.4325 174.2291 79 N 4.0525 9.4720 122.2788 52.8450 35.7664 172.8134 80 G 4.3098 8.3846 111.9876 45.2469 0.0000 172.0646 81 A 4.1316 7.6983 122.3364 51.7149 19.5005 176.2736 82 I 4.4960 8.3697 123.7218 60.8380 38.3730 175.5855 83 V 4.3721 9.0149 127.2390 61.0236 34.1574 173.8677 84 C 4.8544 8.8786 126.4016 57.0523 40.5278 173.7819 85 E 4.5052 9.0588 124.1869 55.0243 30.7078 176.6656 86 K 3.9296 8.5444 122.6384 56.7383 33.6089 176.1026 *88 G 4.2349 8.2324 113.0970 45.6161 0.0000 172.6822 89 T 4.3488 8.6332 114.9289 60.7787 71.4658 175.9855 90 S 4.1912 8.4236 115.6068 61.4170 62.9706 177.2397 91 C 4.2659 8.0598 120.1285 59.9914 40.4723 175.5732 92 E 3.9523 8.0787 119.8097 59.3078 29.0241 179.2172 93 N 4.2417 8.1182 116.5194 56.5465 38.5825 177.8460 94 R 3.9335 7.7359 118.7576 58.8658 30.0460 179.3743 95 I 3.7015 7.6940 120.0328 64.2308 37.1621 177.1793 96 C 3.0187 7.5220 119.2490 59.6518 37.4718 175.5591 97 E 3.8274 7.9095 119.7172 59.4862 28.6146 178.9334 98 C 4.1281 7.6664 116.5799 60.0271 41.4423 175.7702 99 D 3.7893 7.8433 120.3114 57.0005 40.3852 178.4583 100 K 3.6808 8.2446 120.2495 59.8441 32.1379 178.5379 101 A 3.9118 7.7118 119.8421 54.9296 18.1021 179.5034 102 A 3.4892 7.4645 119.0008 54.7784 18.2947 179.6237 103 A 3.8814 8.0189 119.3755 55.3582 18.4454 179.9745 104 I 3.5786 7.5318 118.1373 64.7701 37.0172 177.7350 105 C 4.1635 8.0979 118.1168 59.7244 38.9984 175.5810 106 F 4.6623 8.0563 119.5704 60.5937 38.5922 177.2771 107 R 3.9118 8.2046 118.5702 59.8502 29.6501 178.2452 108 Q 4.1965 8.4356 117.3243 58.0065 29.3010 176.2202 109 N 5.0745 7.8358 116.1645 53.0640 39.8082 176.0767 110 L 4.0885 8.1017 121.1328 58.2353 41.8434 179.2868 111 N 4.3743 8.3682 114.2290 56.2484 38.4455 175.6452 112 T 4.4444 7.6720 104.7340 61.0482 69.3816 173.9375 113 Y 4.0099 8.4305 125.5775 58.3254 39.3209 174.7938 114 S 4.8125 9.0903 122.0915 56.2516 64.8029 174.8379 115 K 4.1847 8.5952 126.2118 58.2638 32.2495 178.9263 116 K 3.7809 7.8351 119.4437 58.9915 32.2795 176.6720 117 Y 4.3003 7.2104 114.2191 58.0490 38.2440 175.4566 118 M 4.3583 7.4557 120.3692 56.1662 32.5991 175.7601 119 L 3.7137 8.4790 119.9435 55.7031 40.0951 174.7588 120 Y 4.1750 8.0980 118.3971 56.7255 39.4776 173.5280 121 P 4.4613 0.0000 0.0000 62.3983 32.3669 176.1101 122 D 4.3771 8.8664 120.8916 57.6135 41.2529 178.3951 *124 F 4.7058 7.7651 112.1957 56.6061 39.6580 175.5983 125 L 3.6984 6.8314 118.8126 55.3861 41.6404 177.0782 126 C 4.6255 8.3724 118.5775 55.1132 37.0838 172.4849 127 K 4.5297 8.0752 124.1824 55.0190 34.5594 175.7741 128 G 3.8540 9.0297 108.9040 44.6749 0.0000 171.6411 129 E 4.7531 8.0591 117.6347 54.2825 32.5495 174.8713 130 L 4.3726 8.2742 125.2885 54.1112 44.4666 174.9705 131 K 4.4201 8.5314 125.4880 55.5972 33.7654 177.5638 *133 C 4.7878 8.4681 116.9027 57.5285 41.5243 173.9783 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 1 S 8.09 5.29 0.00 4.16 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 2 L 8.49 4.15 0.00 1.86 1.90 1.17 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.51 4.02 0.00 1.68 1.72 0.93 0.84 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 4 E 8.07 4.06 0.00 1.82 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 1.70 2.28 0.00 5 F 8.41 4.72 0.00 3.23 3.30 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 6 G 8.41 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 7 K 8.11 3.98 0.00 1.94 2.13 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.51 7.81 8 M 8.32 4.05 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.51 0.00 9 I 7.82 3.60 1.79 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 0.79 0.17 0.66 0.00 0.00 10 L 7.63 4.65 0.00 1.83 1.94 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.28 3.98 0.00 2.13 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 0.00 2.42 2.67 0.00 12 E 8.05 4.12 0.00 2.13 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 2.45 0.00 13 T 8.17 4.30 4.26 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 1.27 0.00 0.00 14 G 8.23 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 *16 K 7.51 4.28 0.00 1.84 1.61 0.00 1.65 0.00 0.00 0.99 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.26 7.81 17 L 8.01 4.61 0.00 1.74 1.66 0.91 0.79 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 18 A 8.80 4.09 1.27 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 0.00 0.00 0.00 19 I 7.62 4.73 1.90 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 1.53 0.63 0.95 0.00 0.00 20 P 0.00 5.32 0.00 2.18 2.17 0.00 3.10 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.06 0.00 21 S 7.69 4.31 0.00 3.87 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 22 Y 8.61 4.76 0.00 2.83 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 23 S 8.17 4.72 0.00 4.11 4.21 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 24 S 7.83 5.11 0.00 4.06 4.13 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 25 Y 7.99 4.84 0.00 3.18 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 26 G 7.60 3.72 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 0.00 0.00 0.00 27 C 8.98 4.63 0.00 2.98 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 28 Y 8.43 4.55 0.00 3.25 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 29 C 8.30 4.71 0.00 3.50 3.49 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 30 G 9.07 4.19 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 0.00 31 W 9.09 4.34 0.00 3.25 3.22 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 32 G 8.37 3.28 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 0.00 33 G 8.14 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 34 K 6.79 4.32 0.00 1.83 1.69 0.00 1.17 0.00 0.00 2.36 0.00 0.00 3.21 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.32 7.81 35 G 9.00 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 0.00 0.00 0.00 36 T 7.50 4.24 4.22 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 1.14 0.00 0.00 37 P 0.00 4.62 0.00 1.87 1.99 0.00 3.39 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.51 0.00 38 K 9.81 3.93 0.00 0.79 0.89 0.00 1.41 0.00 0.00 1.47 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.27 0.77 7.81 39 D 7.20 4.46 0.00 2.73 2.53 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 0.00 40 A 8.79 3.98 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 41 T 8.00 4.07 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 0.85 0.00 0.00 42 D 8.35 4.71 0.00 3.05 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 43 R 8.01 3.95 0.00 2.14 1.97 0.00 3.06 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 44 C 8.36 4.25 0.00 3.33 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 45 C 8.08 4.38 0.00 3.46 3.54 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 46 F 8.27 3.76 0.00 2.38 2.98 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 47 V 7.94 3.27 2.00 0.00 0.00 0.00 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 1.04 0.00 0.00 48 H 8.17 3.77 0.00 3.14 3.28 0.00 5.66 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 49 D 8.30 4.22 0.00 2.78 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 50 C 7.54 4.03 0.00 2.78 2.88 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 51 C 8.21 4.26 0.00 2.88 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 52 Y 8.07 4.30 0.00 2.98 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 53 G 8.06 3.76 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 0.00 0.00 0.00 54 N 7.78 4.94 0.00 2.84 2.86 0.00 0.00 6.78 7.10 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 55 L 7.41 4.81 0.00 1.69 1.54 0.89 0.72 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 56 P 0.00 4.20 0.00 2.16 2.08 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 *59 D 7.82 4.99 0.00 2.74 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 *61 C 7.70 5.30 0.00 3.03 3.01 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 *67 N 7.94 5.16 0.00 2.73 2.77 0.00 0.00 7.59 8.03 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 68 P 0.00 3.97 0.00 0.98 0.49 0.00 3.30 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.53 0.00 69 K 7.96 4.15 0.00 1.81 1.90 0.00 1.69 0.00 0.00 1.91 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.65 1.50 7.81 70 S 7.77 4.58 0.00 3.93 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 71 D 8.44 4.45 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 4.46 0.00 1.83 1.87 0.00 3.59 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 73 Y 7.46 5.00 0.00 3.09 2.95 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 0.00 0.00 0.00 74 K 8.70 4.96 0.00 1.75 1.93 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.37 7.81 75 Y 8.37 5.47 0.00 3.12 3.07 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 0.00 0.00 0.00 76 K 9.28 4.64 0.00 1.80 1.93 0.00 1.27 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.43 7.81 77 R 8.44 4.99 0.00 1.70 1.92 0.00 3.43 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 78 V 8.76 3.96 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 0.79 0.00 0.00 0.95 0.00 0.00 79 N 9.47 4.05 0.00 2.87 2.82 0.00 0.00 7.41 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 80 G 8.38 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 0.00 0.00 0.00 0.00 81 A 7.70 4.13 1.27 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 0.00 0.00 0.00 82 I 8.37 4.50 1.85 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 1.16 0.50 0.80 0.00 0.00 83 V 9.01 4.37 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 1.11 0.00 0.00 0.96 0.00 0.00 84 C 8.88 4.85 0.00 2.88 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 85 E 9.06 4.51 0.00 2.04 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 2.37 2.33 0.00 86 K 8.54 3.93 0.00 1.80 1.69 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.45 7.81 *88 G 8.23 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 0.00 0.00 0.00 0.00 89 T 8.63 4.35 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 90 S 8.42 4.19 0.00 4.05 4.15 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 91 C 8.06 4.27 0.00 2.97 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 92 E 8.08 3.95 0.00 2.30 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 2.62 2.57 0.00 93 N 8.12 4.24 0.00 2.71 2.81 0.00 0.00 7.03 7.82 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 94 R 7.74 3.93 0.00 1.78 1.92 0.00 3.08 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 95 I 7.69 3.70 1.77 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 1.60 1.11 0.93 0.00 0.00 96 C 7.52 3.02 0.00 2.10 2.92 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 97 E 7.91 3.83 0.00 2.07 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 2.40 2.43 0.00 98 C 7.67 4.13 0.00 3.08 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 99 D 7.84 3.79 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 0.00 100 K 8.24 3.68 0.00 1.73 1.89 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.40 7.81 101 A 7.71 3.91 1.25 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 0.00 0.00 0.00 102 A 7.46 3.49 0.96 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 0.00 0.00 103 A 8.02 3.88 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 0.00 104 I 7.53 3.58 1.92 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 1.38 0.63 0.87 0.00 0.00 105 C 8.10 4.16 0.00 2.88 2.94 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 0.00 106 F 8.06 4.66 0.00 3.12 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 0.00 107 R 8.20 3.91 0.00 2.01 2.15 0.00 3.17 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 108 Q 8.44 4.20 0.00 2.07 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 109 N 7.84 5.07 0.00 2.90 2.83 0.00 0.00 6.81 6.71 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 0.00 110 L 8.10 4.09 0.00 1.76 1.77 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.37 4.37 0.00 2.75 2.96 0.00 0.00 6.80 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 0.00 112 T 7.67 4.44 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 1.26 0.00 0.00 113 Y 8.43 4.01 0.00 3.04 2.98 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 0.00 114 S 9.09 4.81 0.00 4.05 3.86 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 0.00 115 K 8.60 4.18 0.00 1.88 1.86 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.72 1.63 7.81 116 K 7.84 3.78 0.00 1.49 1.50 0.00 1.48 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 1.05 7.81 117 Y 7.21 4.30 0.00 2.01 1.81 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 0.00 118 M 7.46 4.36 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.71 0.00 119 L 8.48 3.71 0.00 1.79 1.75 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.10 4.18 0.00 3.00 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 0.00 121 P 0.00 4.46 0.00 2.58 2.23 0.00 2.53 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 122 D 8.87 4.38 0.00 2.83 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 *124 F 7.77 4.71 0.00 3.24 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 0.00 125 L 6.83 3.70 0.00 1.18 1.54 0.42 0.34 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 0.00 126 C 8.37 4.63 0.00 3.11 3.28 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 0.00 127 K 8.08 4.53 0.00 1.77 1.61 0.00 1.58 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.46 7.81 128 G 9.03 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 0.00 129 E 8.06 4.75 0.00 1.88 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 0.00 2.20 2.35 0.00 130 L 8.27 4.37 0.00 1.46 1.37 0.79 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.53 4.42 0.00 1.90 1.76 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.48 7.81 *133 C 8.47 4.79 0.00 2.91 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 * Residues marked with a * may have inaccurate shift predictions.