NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2364 8.2993 121.7889 55.9352 33.3597 174.8643 7 R 4.5186 7.8203 120.6223 54.9923 30.9071 172.0318 8 K 4.2231 8.8691 124.3977 54.9103 34.2935 176.4885 9 K 4.4317 8.1548 126.6832 55.0605 33.4813 175.0681 10 Y 4.5942 8.2512 122.4559 56.3134 41.1712 174.9817 11 T 4.5403 8.2888 119.4205 61.6698 71.7697 173.2272 12 L 4.6089 7.5868 123.3931 54.6660 43.4189 174.4189 13 Y 4.7234 8.2825 116.0254 56.1784 41.3305 175.1442 14 L 4.7438 8.3484 121.9708 53.3707 44.7190 176.4592 15 H 4.8451 9.2073 119.1343 52.9001 28.6319 173.3601 16 P 4.5049 0.0000 0.0000 64.4262 31.3718 177.7374 17 E 4.1474 8.1758 117.3720 58.8850 30.2712 178.3448 18 K 4.1991 7.8956 118.4083 55.5437 34.0624 177.6435 19 A 4.0857 8.6767 124.5507 55.3185 18.3256 180.1490 20 A 3.8734 7.9212 118.5629 55.4005 18.6290 179.0399 21 D 4.2969 8.1675 116.7929 57.7793 40.9410 178.8537 22 F 4.0744 8.6244 121.1036 61.5886 39.4871 176.9902 23 Q 3.8934 8.4540 119.2167 59.2968 28.8239 178.2893 24 T 3.8057 8.2380 117.4170 66.4025 68.5604 176.2363 25 L 3.8809 7.9222 122.3179 58.2814 41.7806 179.0053 26 E 3.8045 7.4724 116.8826 59.1756 29.1185 178.7998 27 A 4.1174 7.8094 120.5098 55.1420 18.4353 179.8185 28 I 3.7986 7.8676 118.5756 64.3639 37.0900 177.9972 29 E 4.2923 7.9590 115.4366 57.5762 29.4633 177.7611 30 S 4.8154 7.3607 113.7268 57.0456 63.6031 173.3776 31 V 4.2572 7.2756 122.3305 60.2539 33.1679 173.5524 32 P 4.2116 0.0000 0.0000 63.4526 31.6133 177.1300 33 R 3.8030 8.8479 122.4090 59.3592 30.3419 178.5033 34 S 4.0502 8.1293 110.8255 61.4393 62.6707 175.4841 35 E 4.2548 8.4757 118.7251 56.6894 29.4164 178.5806 36 R 3.6320 7.8202 120.0436 58.7284 30.1126 178.9095 37 G 3.4844 7.6592 105.2369 47.6690 0.0000 175.1692 38 E 4.0235 7.9202 121.0295 58.4944 29.6683 178.4682 39 L 3.9417 7.3989 120.4635 58.0889 42.1222 178.8981 40 F 4.4620 8.5614 118.0736 60.6840 38.7947 177.3044 41 R 3.9966 7.9991 118.0069 59.9117 29.8710 178.1033 42 N 4.3308 8.2860 115.7151 56.4178 38.5639 177.3338 43 A 4.0421 8.4103 122.2638 55.0134 18.3865 179.5561 44 F 4.0838 8.6579 119.5633 61.3362 39.4535 177.4867 45 I 3.5474 8.1577 120.0193 64.5019 36.9666 178.6573 46 S 4.1762 8.2671 115.1412 61.1522 62.7044 176.6626 47 G 3.4888 7.9824 109.3061 48.0934 0.0000 175.7287 48 M 3.9711 7.9832 121.5887 57.0799 31.5433 178.9294 49 A 3.9078 7.6660 120.9024 55.0346 18.9222 179.0603 50 L 4.0272 7.9240 117.6425 58.4208 41.7692 179.1995 51 H 4.0457 8.1046 117.8415 59.5937 29.4837 177.2769 52 Q 4.1336 7.7518 118.4218 58.5496 28.5251 178.3466 53 L 4.2442 7.7216 119.8096 56.1082 41.9361 177.0482 54 D 4.2468 7.4323 112.6260 52.7602 44.6780 174.5749 55 P 3.9940 0.0000 0.0000 65.9678 31.2575 178.2473 56 R 4.0983 8.9406 118.4005 58.4927 29.7890 178.4093 57 L 3.9743 8.0569 119.6929 57.5704 41.7937 177.7483 58 P 4.2750 0.0000 0.0000 65.9711 31.0333 178.6165 59 V 3.7203 7.7350 118.2734 64.2080 31.5068 178.3770 60 L 3.9821 8.2330 120.2554 57.7484 41.5019 179.3887 61 L 4.0639 8.3122 119.3343 57.9291 41.2825 179.7223 62 T 3.7002 7.5987 114.3711 66.6927 68.5515 176.1199 63 A 4.1014 8.0790 121.5325 55.1434 18.4454 178.9407 64 I 3.9563 7.8222 115.4383 61.3771 38.5346 175.8725 65 L 3.4795 6.8478 121.0807 55.8682 42.2860 176.0739 66 S 4.5649 7.9981 117.8860 57.8433 65.1566 175.5770 67 E 4.1327 8.8608 119.0627 58.5312 29.1352 177.7236 68 E 4.4766 8.0501 117.3104 55.5713 29.9869 175.9769 69 F 4.3712 7.8452 122.0025 59.2944 39.8676 174.8624 70 S 4.3833 7.3000 119.3349 55.8940 66.8951 175.1498 71 A 3.7160 8.2840 124.1349 55.1418 18.0060 179.3636 72 D 4.1695 7.8833 115.9524 57.8418 41.3747 178.3232 73 Q 3.9553 7.7663 118.2142 59.1941 28.7651 179.4195 74 V 3.6308 7.2442 119.0974 65.4900 31.4620 178.4564 75 V 3.3815 7.6045 118.5213 66.0271 31.3651 178.1742 76 T 3.9799 8.0035 109.6883 64.8238 68.4539 176.1953 77 L 3.9388 7.9431 123.0687 57.6246 42.0426 178.6332 78 L 4.0317 7.7769 120.1372 57.7109 41.8599 178.9944 79 S 4.4123 8.5249 115.8938 61.7863 62.6965 176.1915 80 Q 3.8640 8.1706 119.9780 59.5402 28.6032 179.0146 81 T 4.1816 7.6164 112.4862 64.1612 67.7221 175.9071 82 T 4.4782 8.1560 115.5569 62.7803 69.9437 175.8001 83 G 3.9611 9.1237 109.5706 44.3037 0.0000 173.4832 84 W 4.1805 7.9822 128.6981 57.8924 31.0120 174.8239 85 K 3.8553 6.6989 124.0221 53.2073 34.8436 173.8781 86 P 3.7753 0.0000 0.0000 63.3161 31.6186 175.9195 87 S 4.4161 8.6216 116.6256 58.6384 63.8644 173.2156 88 Q 4.6616 7.3847 116.0684 53.8728 32.2885 173.7097 89 A 4.3374 8.1044 118.8855 51.4169 21.8303 175.7125 90 D 4.4628 8.2869 119.0999 55.0124 41.5969 178.0493 91 I 4.0529 8.2121 124.6831 63.5777 37.6889 177.6572 92 R 3.9881 8.8264 119.4084 59.1418 30.2191 178.0970 93 A 4.3509 7.3782 120.9772 51.8998 17.5679 178.1600 94 V 4.1717 7.3839 117.7825 61.8529 31.6025 175.9522 95 L 3.5112 7.7125 114.2836 57.8190 38.8876 176.0567 *96 T 4.1515 7.9881 115.7917 61.1305 69.1019 176.2878 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 6 K 8.30 4.24 0.00 1.74 1.79 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 7 R 7.82 4.52 0.00 2.06 1.92 0.00 3.07 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.67 0.00 8 K 8.87 4.22 0.00 1.75 1.85 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.38 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.70 1.15 7.81 9 K 8.15 4.43 0.00 1.67 1.54 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.39 7.81 10 Y 8.25 4.59 0.00 2.60 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.29 4.54 4.16 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 0.87 0.00 0.00 12 L 7.59 4.61 0.00 1.62 1.51 0.72 0.36 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 13 Y 8.28 4.72 0.00 2.85 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 14 L 8.35 4.74 0.00 1.57 1.52 0.83 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 15 H 9.21 4.85 0.00 3.13 3.66 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.50 0.00 2.32 2.32 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 17 E 8.18 4.15 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 2.42 0.00 18 K 7.90 4.20 0.00 2.00 1.79 0.00 1.74 0.00 0.00 2.01 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.81 7.81 19 A 8.68 4.09 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 20 A 7.92 3.87 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 21 D 8.17 4.30 0.00 3.03 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 22 F 8.62 4.07 0.00 3.36 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.45 3.89 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 24 T 8.24 3.81 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 1.14 0.00 0.00 25 L 7.92 3.88 0.00 1.73 1.54 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.47 3.80 0.00 1.95 1.87 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 1.97 1.76 0.00 27 A 7.81 4.12 1.36 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 28 I 7.87 3.80 2.04 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.00 1.12 0.00 0.00 29 E 7.96 4.29 0.00 2.15 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 2.54 2.28 0.00 30 S 7.36 4.82 0.00 4.06 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 31 V 7.28 4.26 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 0.80 0.00 0.00 1.01 0.00 0.00 32 P 0.00 4.21 0.00 2.22 2.18 0.00 3.76 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 2.08 2.03 0.00 33 R 8.85 3.80 0.00 1.85 2.00 0.00 3.13 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 34 S 8.13 4.05 0.00 3.93 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 35 E 8.48 4.25 0.00 2.02 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 2.26 2.29 0.00 36 R 7.82 3.63 0.00 1.55 0.80 0.00 3.01 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 37 G 7.66 3.48 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 0.00 38 E 7.92 4.02 0.00 2.04 1.91 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 2.36 2.41 0.00 39 L 7.40 3.94 0.00 1.86 1.75 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.56 4.46 0.00 3.09 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 41 R 8.00 4.00 0.00 1.97 2.15 0.00 3.15 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 42 N 8.29 4.33 0.00 3.00 2.89 0.00 0.00 7.02 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 43 A 8.41 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.66 4.08 0.00 3.16 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 45 I 8.16 3.55 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.72 0.88 0.00 0.00 46 S 8.27 4.18 0.00 4.03 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 0.00 47 G 7.98 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 0.00 0.00 0.00 48 M 7.98 3.97 0.00 1.75 1.90 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 49 A 7.67 3.91 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 50 L 7.92 4.03 0.00 1.93 1.72 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 51 H 8.10 4.05 0.00 3.21 3.44 0.00 5.78 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 52 Q 7.75 4.13 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 53 L 7.72 4.24 0.00 1.77 1.71 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.43 4.25 0.00 2.69 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 3.99 0.00 2.17 2.02 0.00 3.76 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 56 R 8.94 4.10 0.00 1.92 2.02 0.00 3.14 0.00 0.00 3.62 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 57 L 8.06 3.97 0.00 1.85 1.73 0.90 0.93 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 58 P 0.00 4.27 0.00 2.24 2.29 0.00 3.93 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.06 0.00 59 V 7.73 3.72 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 1.06 0.00 0.00 0.94 0.00 0.00 60 L 8.23 3.98 0.00 2.05 1.78 0.94 0.49 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 61 L 8.31 4.06 0.00 1.65 1.69 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.60 3.70 4.38 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 1.19 0.00 0.00 63 A 8.08 4.10 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 64 I 7.82 3.96 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.93 1.11 0.00 0.00 65 L 6.85 3.48 0.00 1.75 1.47 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.00 4.56 0.00 4.02 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 67 E 8.86 4.13 0.00 2.00 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 0.00 2.36 2.44 0.00 68 E 8.05 4.48 0.00 2.02 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 2.30 2.26 0.00 69 F 7.85 4.37 0.00 3.05 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.30 4.38 0.00 3.91 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 71 A 8.28 3.72 1.21 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 0.00 0.00 72 D 7.88 4.17 0.00 2.69 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 73 Q 7.77 3.96 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 74 V 7.24 3.63 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 0.94 0.00 0.00 0.72 0.00 0.00 75 V 7.60 3.38 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 0.83 0.00 0.00 0.77 0.00 0.00 76 T 8.00 3.98 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 1.26 0.00 0.00 77 L 7.94 3.94 0.00 2.19 1.72 0.95 0.63 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 78 L 7.78 4.03 0.00 2.08 1.74 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.52 4.41 0.00 4.16 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 80 Q 8.17 3.86 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.92 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 81 T 7.62 4.18 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 1.29 0.00 0.00 82 T 8.16 4.48 4.54 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 1.43 0.00 0.00 83 G 9.12 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 84 W 7.98 4.18 0.00 3.27 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 85 K 6.70 3.86 0.00 1.53 1.18 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.01 1.26 7.81 86 P 0.00 3.78 0.00 1.92 1.98 0.00 3.36 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 87 S 8.62 4.42 0.00 3.71 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 88 Q 7.38 4.66 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 89 A 8.10 4.34 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 90 D 8.29 4.46 0.00 2.69 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 91 I 8.21 4.05 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 1.42 0.65 0.91 0.00 0.00 92 R 8.83 3.99 0.00 1.87 2.00 0.00 3.16 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 93 A 7.38 4.35 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 94 V 7.38 4.17 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 0.84 0.00 0.00 0.93 0.00 0.00 95 L 7.71 3.51 0.00 1.84 1.86 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 *96 T 7.99 4.15 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 * Residues marked with a * may have inaccurate shift predictions.