NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.2877 8.3349 115.2905 57.7881 63.4089 173.3789 1 L 4.0380 8.4383 127.9455 52.8310 41.0574 174.1792 2 K 4.5232 8.1916 123.3815 56.7174 36.6616 175.3083 3 G 4.5143 8.5191 105.8073 44.9736 0.0000 171.8152 4 L 4.4055 8.3760 118.9414 55.5907 42.2023 177.9052 5 R 5.1448 9.8935 123.4017 56.5202 32.9278 176.2462 6 R 5.2489 7.7421 117.0767 54.7004 34.1463 173.8771 7 L 5.3330 9.0968 123.8863 53.0222 46.7318 175.5262 8 V 4.8796 8.6885 121.8645 61.2127 34.3857 174.0541 9 L 5.1587 9.4014 128.7841 52.9600 44.8926 175.2446 10 D 5.1038 9.1463 124.3070 53.3196 42.1419 175.0316 11 V 4.8492 8.7525 126.7099 60.8482 35.0077 173.7674 12 L 5.1969 8.3934 128.7911 53.1268 44.5051 175.2507 13 K 4.9322 8.6021 124.0579 54.7438 37.1790 173.6850 14 P 4.7707 0.0000 0.0000 62.3074 32.4151 177.5245 15 H 4.1951 8.3816 116.6413 58.0975 28.7354 176.2952 16 E 4.8180 7.2937 115.5762 53.6230 31.9214 174.2672 17 P 4.5463 0.0000 0.0000 61.8406 32.2661 176.4333 18 K 4.1335 8.5821 120.4273 56.8969 32.8164 178.2758 19 T 3.9348 8.3929 110.9011 64.7660 68.8140 176.7821 20 I 3.7538 7.8059 115.5815 63.7146 37.4206 178.3793 21 V 3.6209 7.6394 120.2257 66.0202 31.4621 178.0698 22 F 4.0862 8.5762 116.8785 60.4133 38.7781 177.3967 23 A 4.1119 8.3855 120.6430 54.8492 18.0669 179.6758 24 L 3.9398 7.8893 117.3121 58.0450 41.5562 179.9227 25 K 3.9662 7.7472 116.8680 59.5015 32.3653 179.1964 26 L 4.1593 7.8785 119.1106 57.6342 41.3390 179.6109 27 S 4.2652 8.0835 113.2342 60.7932 63.0198 175.3745 28 E 4.3073 7.5001 120.1155 55.6174 29.9986 176.4273 29 L 4.2766 7.3074 120.3977 53.9486 42.5539 176.3734 30 E 4.1777 8.3818 122.1911 57.9849 30.1613 176.8645 31 N 4.5861 9.1292 119.7610 52.9066 36.6429 174.2560 32 V 4.3953 7.1425 117.8363 62.2766 32.2037 175.2735 33 D 4.6089 8.9649 127.6966 56.3802 41.9947 176.4400 34 G 4.0774 7.5816 103.2434 45.9400 0.0000 172.6068 35 V 5.0161 8.3479 119.1631 61.1949 34.8429 173.3117 36 N 5.0054 9.3850 126.7953 51.8552 41.3277 172.9018 37 I 4.9592 8.4733 126.7221 59.8502 39.6940 174.1981 38 H 4.8044 9.0502 127.6891 54.1621 32.2037 173.2103 39 L 4.3666 8.1658 127.9193 54.8001 41.7033 176.4091 40 S 4.3961 9.0996 124.1153 61.1909 63.3617 174.5789 41 E 4.7307 7.8375 117.8604 55.2117 32.8299 173.3554 42 I 4.7482 8.3388 125.5006 59.8360 39.6675 174.5680 43 D 5.0807 8.5340 125.3711 52.3248 44.4847 175.4637 44 Q 4.1586 9.0095 117.6848 59.2207 28.4718 178.0629 45 A 4.3899 7.9781 117.2831 51.4837 21.0758 174.6591 46 T 4.9825 7.4689 104.9940 60.0660 72.8868 172.3746 47 E 5.1455 8.8458 118.5842 55.2498 34.6618 174.3380 48 N 5.4054 9.5522 120.3955 51.5179 41.2149 173.8775 49 I 5.0323 8.8520 117.1992 58.9095 41.7366 174.3181 50 K 4.9852 8.9050 122.5441 54.7844 34.7538 175.1594 51 I 4.8276 8.8943 126.3915 59.7878 39.9116 174.6605 52 T 4.9985 9.1129 124.1655 61.9131 71.1477 173.0979 53 I 4.8468 9.0055 128.3026 59.3815 39.8769 174.4576 54 L 4.9579 8.7007 129.2656 52.8118 44.7485 176.0645 55 G 3.9033 7.9054 110.6981 46.7450 0.0000 170.0034 56 N 5.1265 8.4104 118.5260 52.2212 41.1058 175.0695 57 N 4.0984 8.4013 123.9925 54.5250 37.9814 173.8096 58 L 4.2201 7.9295 118.0602 54.9957 42.8618 178.1043 59 D 4.7404 8.3700 121.1109 52.6406 41.8283 176.2512 60 Y 4.0519 8.5727 128.0967 61.1197 38.8584 177.6702 61 E 3.6566 8.5222 118.6363 59.6092 29.5091 179.2218 62 Q 3.9323 8.3887 119.4511 59.1345 29.2772 178.2785 63 I 3.6391 7.8309 121.1558 64.2427 37.0682 178.3860 64 K 3.8586 8.5407 121.7546 59.1863 31.9039 179.1682 65 G 3.4957 7.9360 106.2704 47.7015 0.0000 175.9573 66 V 3.5552 7.5314 119.7652 65.5983 31.6867 177.9873 67 I 3.8518 7.5728 119.2694 64.4947 36.7789 178.3310 68 E 4.6561 8.1178 119.7645 58.5365 29.5331 179.8025 69 D 4.6762 7.9674 120.4085 53.6499 40.6582 177.3449 *71 G 3.8648 7.9522 105.4288 45.0453 0.0000 173.3492 72 G 4.4963 8.4189 107.9786 44.5512 0.0000 173.6019 73 V 4.8741 8.2965 119.2995 59.6834 34.9638 174.8021 74 I 4.3079 8.4779 125.0080 61.3574 36.8267 175.4196 75 H 4.7568 9.3054 126.4631 58.3182 29.5007 176.1632 76 S 4.5743 7.8136 109.4066 57.4874 65.8257 175.1902 77 V 4.4202 8.4572 122.4987 61.8927 31.1879 174.9636 78 D 4.6532 8.7580 129.3163 56.6158 41.7386 176.8685 79 E 4.7727 7.9034 117.8254 54.8440 33.3271 174.0916 80 V 4.9584 8.2886 124.8655 61.2670 34.8275 174.2416 81 V 4.5706 8.8846 126.8687 61.0906 34.2486 174.0644 82 A 4.7648 8.9576 127.9899 51.1179 22.4449 174.4439 83 G 3.7701 8.1614 104.4964 44.5394 0.0000 173.6900 84 K 4.4779 8.6371 117.1444 56.7519 33.2743 176.6574 85 I 4.4881 7.3958 118.7474 58.9110 39.6192 175.1275 86 I 3.8072 8.4241 126.2576 61.2971 37.2536 175.3867 87 V 4.3296 8.2472 125.3714 60.9635 33.1790 174.6304 88 E 4.4840 8.4591 126.3389 54.7813 30.8177 176.1426 89 S 4.1821 8.3795 116.9765 58.3838 63.2048 174.2437 90 V 3.8159 8.2327 124.7128 63.2054 31.3030 175.6691 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 4.29 0.00 3.85 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 1 L 8.44 4.04 0.00 1.76 1.64 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.19 4.52 0.00 1.88 1.90 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.60 1.62 7.81 3 G 8.52 4.51 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 4 L 8.38 4.41 0.00 1.65 1.66 1.04 0.83 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 5 R 9.89 5.14 0.00 1.66 1.94 0.00 3.33 0.00 0.00 3.43 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 6 R 7.74 5.25 0.00 1.84 1.70 0.00 3.13 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 7 L 9.10 5.33 0.00 1.63 1.56 1.12 1.10 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 8 V 8.69 4.88 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 0.99 0.00 0.00 0.99 0.00 0.00 9 L 9.40 5.16 0.00 1.59 1.56 0.93 0.30 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 10 D 9.15 5.10 0.00 2.93 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 11 V 8.75 4.85 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 0.95 0.00 0.00 0.94 0.00 0.00 12 L 8.39 5.20 0.00 1.53 1.16 0.99 0.23 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 13 K 8.60 4.93 0.00 1.84 1.68 0.00 0.61 0.00 0.00 0.74 0.00 0.00 2.36 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.10 1.28 7.81 14 P 0.00 4.77 0.00 2.39 2.03 0.00 3.70 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 15 H 8.38 4.20 0.00 3.18 3.33 0.00 5.62 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.29 4.82 0.00 2.02 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 2.28 2.41 0.00 17 P 0.00 4.55 0.00 2.18 2.02 0.00 4.01 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 18 K 8.58 4.13 0.00 1.86 1.78 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.62 7.81 19 T 8.39 3.93 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 1.06 0.00 0.00 20 I 7.81 3.75 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.61 0.92 0.00 0.00 21 V 7.64 3.62 2.38 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 0.99 0.00 0.00 0.98 0.00 0.00 22 F 8.58 4.09 0.00 3.17 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 23 A 8.39 4.11 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 24 L 7.89 3.94 0.00 1.92 1.73 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.75 3.97 0.00 1.66 1.80 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.51 7.81 26 L 7.88 4.16 0.00 1.77 1.73 0.99 0.83 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 27 S 8.08 4.27 0.00 4.04 4.14 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 28 E 7.50 4.31 0.00 2.05 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 2.31 2.44 0.00 29 L 7.31 4.28 0.00 1.86 1.57 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.38 4.18 0.00 1.96 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 2.31 2.33 0.00 31 N 9.13 4.59 0.00 2.80 3.46 0.00 0.00 6.75 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 32 V 7.14 4.40 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 0.86 0.00 0.00 0.99 0.00 0.00 33 D 8.96 4.61 0.00 2.68 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 34 G 7.58 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 0.00 0.00 0.00 0.00 35 V 8.35 5.02 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 0.86 0.00 0.00 0.95 0.00 0.00 36 N 9.39 5.01 0.00 2.77 2.64 0.00 0.00 6.67 7.66 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 37 I 8.47 4.96 1.87 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 1.24 0.81 0.85 0.00 0.00 38 H 9.05 4.80 0.00 3.16 3.12 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.17 4.37 0.00 1.59 1.46 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 40 S 9.10 4.40 0.00 3.87 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 41 E 7.84 4.73 0.00 2.00 1.72 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 2.37 2.31 0.00 42 I 8.34 4.75 1.84 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 1.30 0.72 0.86 0.00 0.00 43 D 8.53 5.08 0.00 2.62 2.58 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 44 Q 9.01 4.16 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 45 A 7.98 4.39 1.19 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 46 T 7.47 4.98 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 47 E 8.85 5.15 0.00 1.85 1.75 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 2.20 2.36 0.00 48 N 9.55 5.41 0.00 2.54 2.68 0.00 0.00 6.66 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 49 I 8.85 5.03 1.85 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.90 0.77 0.00 0.00 50 K 8.90 4.99 0.00 1.68 1.74 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.53 7.81 51 I 8.89 4.83 1.89 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 1.23 1.00 0.94 0.00 0.00 52 T 9.11 5.00 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 1.26 0.00 0.00 53 I 9.01 4.85 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.79 0.93 0.00 0.00 54 L 8.70 4.96 0.00 1.79 1.50 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.91 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 0.00 0.00 0.00 56 N 8.41 5.13 0.00 2.74 2.69 0.00 0.00 7.39 7.80 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 57 N 8.40 4.10 0.00 2.95 2.73 0.00 0.00 6.94 6.55 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 58 L 7.93 4.22 0.00 1.74 1.63 0.97 0.80 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 59 D 8.37 4.74 0.00 2.74 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 60 Y 8.57 4.05 0.00 3.12 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 61 E 8.52 3.66 0.00 2.21 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 2.52 2.39 0.00 62 Q 8.39 3.93 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 63 I 7.83 3.64 1.81 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.05 0.82 0.00 0.00 64 K 8.54 3.86 0.00 1.01 1.56 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.35 7.81 65 G 7.94 3.50 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 0.00 0.00 0.00 66 V 7.53 3.56 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 0.90 0.00 0.00 67 I 7.57 3.85 2.03 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 1.65 0.78 1.09 0.00 0.00 68 E 8.12 4.66 0.00 1.90 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 0.00 2.50 2.42 0.00 69 D 7.97 4.68 0.00 2.55 2.62 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 *71 G 7.95 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 0.00 0.00 0.00 72 G 8.42 4.50 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 0.00 0.00 0.00 73 V 8.30 4.87 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 1.01 0.00 0.00 74 I 8.48 4.31 1.94 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 1.37 0.56 1.03 0.00 0.00 75 H 9.31 4.76 0.00 3.14 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.81 4.57 0.00 3.86 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 77 V 8.46 4.42 2.09 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 0.84 0.00 0.00 1.03 0.00 0.00 78 D 8.76 4.65 0.00 2.65 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 79 E 7.90 4.77 0.00 2.01 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 2.28 2.31 0.00 80 V 8.29 4.96 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 0.83 0.00 0.00 0.92 0.00 0.00 81 V 8.88 4.57 2.17 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 0.93 0.00 0.00 0.99 0.00 0.00 82 A 8.96 4.76 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 83 G 8.16 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 0.00 0.00 0.00 84 K 8.64 4.48 0.00 1.75 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.44 7.81 85 I 7.40 4.49 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 1.41 0.89 0.91 0.00 0.00 86 I 8.42 3.81 1.87 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 1.30 0.35 0.91 0.00 0.00 87 V 8.25 4.33 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 0.83 0.00 0.00 0.97 0.00 0.00 88 E 8.46 4.48 0.00 1.99 1.85 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 2.27 2.23 0.00 89 S 8.38 4.18 0.00 3.82 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 90 V 8.23 3.82 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 0.81 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.