NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3979 8.1927 115.5564 58.1056 65.9113 173.4039 4 C 5.0312 8.1898 122.1380 54.7632 40.1246 170.3185 5 T 4.0836 8.8567 121.0017 63.4318 69.5428 172.0327 6 N 5.3403 8.7486 125.6923 52.0414 41.3568 174.0258 7 T 4.3811 9.0412 122.2445 61.5971 72.2505 173.9006 8 N 4.2883 8.6430 126.6686 54.7574 36.4155 173.9904 9 S 5.2566 8.2231 111.0286 56.8471 66.8052 174.7366 10 Q 4.5497 8.8068 120.0136 54.3167 31.7008 174.7855 11 L 5.0972 8.5109 123.9398 52.5747 44.2367 176.7877 12 S 4.2423 9.1856 118.2305 57.8521 63.6450 175.3101 13 A 4.1679 8.6233 125.6282 55.1381 18.1735 177.9896 14 N 4.7510 8.0849 111.2813 53.5373 38.7667 174.6471 15 S 5.0991 8.1677 114.7793 56.6292 66.2772 173.5920 16 K 4.6111 9.2264 121.1630 54.8049 35.2073 174.5839 17 C 5.4605 8.9534 124.1393 55.0450 47.1303 172.4186 18 E 4.7519 9.2404 126.4356 54.9239 32.4422 176.9231 19 K 4.3549 8.9643 123.3364 56.5974 30.7695 173.6382 20 S 5.2692 7.5936 112.3910 57.2129 68.5841 174.4162 21 T 5.1191 8.9926 117.3991 61.8601 71.9473 173.2324 22 L 5.1185 9.3073 126.1460 53.2226 45.0334 175.6131 23 T 4.7768 8.6970 120.9311 61.5343 71.7283 174.0207 24 N 4.9032 8.9790 127.5560 54.2880 38.7288 171.4798 25 C 5.7438 7.9611 117.4000 55.1618 41.7183 174.6404 *27 V 4.3271 8.2618 122.4886 63.9781 32.8600 174.8448 28 D 5.0228 9.6601 129.0517 52.5175 43.9683 175.8966 29 K 4.0307 8.7984 126.8189 57.7000 30.3490 174.2993 30 S 5.0756 8.6480 113.8850 56.9477 68.5870 175.2305 31 E 5.0756 9.2119 122.7979 54.8867 31.3727 175.5646 32 V 4.8774 9.1600 126.3868 59.9032 33.6357 174.4857 33 F 5.4758 9.1606 128.5742 56.7633 42.5848 175.3405 34 G 4.4034 9.0063 114.3986 46.9038 0.0000 172.3959 35 T 5.2028 8.1542 113.3748 61.6859 73.3160 173.9538 36 T 4.9966 8.8143 120.5665 62.0021 71.2656 172.5204 37 C 5.4156 9.5411 126.6001 55.0782 45.8604 172.7764 38 T 4.8298 8.9158 122.4577 62.1475 72.4839 174.3909 39 G 4.6198 8.9707 117.0345 47.3410 0.0000 172.2789 40 S 5.1712 7.6112 112.2664 56.2245 67.5025 173.6142 41 R 4.6455 8.7207 120.3091 54.4883 32.8755 174.7526 42 F 5.5997 8.6329 122.5753 55.8299 42.0119 174.1089 43 D 4.9692 8.9635 123.3391 52.3276 44.2142 175.3753 44 G 4.6662 9.2094 118.1871 45.2556 0.0000 172.3070 45 V 4.8414 7.7103 116.7215 60.3012 36.1729 176.1121 46 T 4.8692 9.2173 119.7567 61.9877 70.8765 172.9925 47 I 5.0946 9.0107 127.7762 59.2207 41.1288 174.2205 48 T 5.0071 8.5944 118.6477 60.4310 72.4508 173.8167 49 T 4.1676 8.0409 118.1793 63.6490 66.7191 170.7085 50 S 5.1390 7.8883 115.4012 57.4210 68.8318 174.7123 51 T 5.1640 9.1224 116.7670 62.0628 72.5089 173.5880 52 S 5.1722 9.3028 119.4525 57.0699 66.0375 172.5948 53 T 4.9409 9.3841 124.0279 62.2740 71.9173 174.6723 54 G 4.3630 8.9245 115.7721 47.3803 0.0000 172.4124 55 S 5.2930 8.0928 112.5232 56.3918 67.8815 173.9563 56 R 5.0714 9.4662 121.1223 54.6288 32.6934 175.1447 57 I 4.8740 9.0513 124.8714 59.4246 40.8643 174.7837 58 S 5.5180 7.9542 119.6567 56.7899 66.9541 175.4111 59 G 3.8850 8.6994 107.2049 45.9870 0.0000 175.0386 60 P 4.6470 0.0000 0.0000 62.8924 32.3420 175.6841 61 G 3.8525 8.5880 104.8596 46.5971 0.0000 174.0606 62 C 5.2929 7.7714 120.0062 55.5411 45.7898 172.5124 63 K 5.0845 9.3284 125.3582 54.7480 35.4506 175.1488 64 I 4.9935 9.1531 126.0621 59.4336 40.9438 174.5792 65 S 4.9086 8.9507 121.4338 57.0082 65.2467 173.5914 66 T 4.6272 8.4012 117.2036 62.0275 67.6325 169.4494 67 C 5.1625 8.5527 120.0914 55.8394 44.3845 174.6191 68 I 5.0688 8.1548 119.5282 59.8873 40.2695 174.5572 69 I 4.8707 8.9822 128.8244 59.7971 39.8351 175.1402 70 T 4.9314 8.7100 122.7927 62.4235 72.9400 174.3442 71 G 4.0206 9.7027 113.3560 46.5704 0.0000 174.5548 72 G 4.0677 9.4151 107.8956 44.8324 0.0000 174.5210 73 V 4.2573 8.0838 120.6880 58.6455 33.2951 173.3065 74 P 4.7372 0.0000 0.0000 62.2867 32.1075 175.8641 75 A 4.2124 8.9693 125.2745 50.9561 19.2910 175.5993 76 P 4.2638 0.0000 0.0000 62.9347 32.1605 176.2691 77 S 4.4420 8.4402 118.2962 56.7715 65.2890 174.7276 78 A 4.0353 8.7865 130.4583 54.4111 18.3148 177.6616 79 A 4.3597 7.5126 116.6957 52.6322 19.7848 176.1685 80 C 5.0161 7.8295 117.0847 55.4298 43.7484 172.9189 81 K 4.7935 8.8971 126.2052 54.6874 34.3051 175.4606 82 I 5.1895 8.3591 124.5593 59.7057 41.1818 174.9699 83 S 4.3162 9.1133 119.8519 57.2146 65.9624 174.0999 84 G 4.0265 8.6900 116.5012 47.0722 0.0000 172.4336 85 C 5.4558 7.7114 112.6921 55.1700 39.3602 175.4664 86 T 4.7346 8.3131 111.2752 59.9836 70.9689 172.8326 87 F 5.3631 8.9451 123.8859 56.0806 41.9745 174.4936 88 S 4.7689 8.7377 114.4894 57.0683 66.2664 173.1932 89 A 4.5744 8.5899 125.3863 51.7160 19.3390 177.1154 90 N 4.5924 8.7550 118.7566 53.6931 38.8253 174.2619 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 S 8.19 4.40 0.00 3.96 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 4 C 8.19 5.03 0.00 3.37 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 5 T 8.86 4.08 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 1.22 0.00 0.00 6 N 8.75 5.34 0.00 2.71 2.69 0.00 0.00 7.01 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 7 T 9.04 4.38 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 1.21 0.00 0.00 8 N 8.64 4.29 0.00 2.89 2.83 0.00 0.00 6.83 7.21 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 9 S 8.22 5.26 0.00 3.86 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 10 Q 8.81 4.55 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 11 L 8.51 5.10 0.00 1.50 1.58 0.93 0.98 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 12 S 9.19 4.24 0.00 3.96 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 13 A 8.62 4.17 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 14 N 8.08 4.75 0.00 2.73 2.85 0.00 0.00 6.76 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.17 5.10 0.00 3.84 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 16 K 9.23 4.61 0.00 1.58 1.66 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.46 7.81 17 C 8.95 5.46 0.00 2.99 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 18 E 9.24 4.75 0.00 1.90 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 2.17 2.24 0.00 19 K 8.96 4.35 0.00 2.13 1.90 0.00 1.84 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.49 7.81 20 S 7.59 5.27 0.00 3.80 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 21 T 8.99 5.12 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 1.22 0.00 0.00 22 L 9.31 5.12 0.00 1.46 1.51 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.70 4.78 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 1.20 0.00 0.00 24 N 8.98 4.90 0.00 2.86 2.77 0.00 0.00 6.85 7.68 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 25 C 7.96 5.74 0.00 2.75 2.63 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 *27 V 8.26 4.33 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 1.04 0.00 0.00 0.97 0.00 0.00 28 D 9.66 5.02 0.00 2.69 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 0.00 0.00 0.00 0.00 29 K 8.80 4.03 0.00 1.94 1.80 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.54 7.81 30 S 8.65 5.08 0.00 3.76 3.77 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 31 E 9.21 5.08 0.00 1.85 1.88 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 2.22 2.35 0.00 32 V 9.16 4.88 2.20 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 0.94 0.00 0.00 1.08 0.00 0.00 33 F 9.16 5.48 0.00 2.94 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 34 G 9.01 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 0.00 0.00 0.00 0.00 35 T 8.15 5.20 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 1.36 0.00 0.00 36 T 8.81 5.00 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 1.23 0.00 0.00 37 C 9.54 5.42 0.00 3.00 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 38 T 8.92 4.83 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 1.20 0.00 0.00 39 G 8.97 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.61 5.17 0.00 3.37 3.60 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 0.00 0.00 0.00 0.00 41 R 8.72 4.65 0.00 1.69 1.79 0.00 3.05 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 42 F 8.63 5.60 0.00 2.94 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 43 D 8.96 4.97 0.00 2.71 2.48 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 44 G 9.21 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.71 4.84 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 0.66 0.00 0.00 0.72 0.00 0.00 46 T 9.22 4.87 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 1.22 0.00 0.00 47 I 9.01 5.09 1.55 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.62 0.64 0.00 0.00 48 T 8.59 5.01 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 1.33 0.00 0.00 49 T 8.04 4.17 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 1.12 0.00 0.00 50 S 7.89 5.14 0.00 3.73 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 51 T 9.12 5.16 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 1.24 0.00 0.00 52 S 9.30 5.17 0.00 4.15 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 53 T 9.38 4.94 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 1.22 0.00 0.00 54 G 8.92 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.09 5.29 0.00 3.90 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 56 R 9.47 5.07 0.00 1.87 1.83 0.00 3.16 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 57 I 9.05 4.87 1.91 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.05 0.47 0.00 0.00 58 S 7.95 5.52 0.00 3.79 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 59 G 8.70 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 60 P 0.00 4.65 0.00 2.04 1.99 0.00 3.76 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 2.01 2.06 0.00 61 G 8.59 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 62 C 7.77 5.29 0.00 3.17 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 63 K 9.33 5.08 0.00 1.66 1.65 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.50 7.81 64 I 9.15 4.99 1.84 0.00 0.00 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 1.28 1.10 0.95 0.00 0.00 65 S 8.95 4.91 0.00 3.83 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.40 4.63 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 1.18 0.00 0.00 67 C 8.55 5.16 0.00 2.85 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 68 I 8.15 5.07 1.85 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 1.34 0.93 0.91 0.00 0.00 69 I 8.98 4.87 2.01 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.32 0.97 0.00 0.00 70 T 8.71 4.93 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 71 G 9.70 4.02 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 0.00 0.00 0.00 72 G 9.42 4.07 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 0.00 0.00 0.00 73 V 8.08 4.26 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 0.81 0.00 0.00 0.86 0.00 0.00 74 P 0.00 4.74 0.00 1.86 1.54 0.00 3.49 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.44 0.00 75 A 8.97 4.21 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 76 P 0.00 4.26 0.00 1.92 2.00 0.00 3.66 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 2.00 2.05 0.00 77 S 8.44 4.44 0.00 3.78 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.79 4.04 1.28 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 79 A 7.51 4.36 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 80 C 7.83 5.02 0.00 3.10 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 81 K 8.90 4.79 0.00 1.78 1.68 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.42 7.81 82 I 8.36 5.19 1.93 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 1.29 0.62 1.16 0.00 0.00 83 S 9.11 4.32 0.00 3.85 3.65 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 84 G 8.69 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 0.00 0.00 0.00 85 C 7.71 5.46 0.00 2.80 2.27 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 86 T 8.31 4.73 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 1.20 0.00 0.00 87 F 8.95 5.36 0.00 2.91 3.18 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 88 S 8.74 4.77 0.00 3.93 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 89 A 8.59 4.57 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 90 N 8.75 4.59 0.00 2.69 2.67 0.00 0.00 7.00 7.68 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 * Residues marked with a * may have inaccurate shift predictions.