NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4973 8.1749 117.3737 63.7350 70.0849 173.1362 2 T 4.5257 9.2375 121.3632 60.1919 72.0174 171.3697 3 I 5.1653 9.2828 121.1692 59.2311 41.0703 174.8085 4 V 4.6493 8.8327 116.4763 59.9577 36.6597 174.4101 5 G 4.5451 8.5306 108.2699 44.7475 0.0000 172.2188 6 V 4.5979 9.1190 124.4892 61.0556 34.7406 174.5720 7 K 4.8972 8.8712 127.5022 55.7688 33.4378 175.9676 8 F 5.1068 8.6431 118.0370 54.5406 41.2030 175.6413 9 N 4.1885 8.8500 118.1618 55.8893 36.9751 174.7452 10 N 4.9031 7.8650 115.9738 51.5252 40.2905 174.4962 11 G 3.4840 6.1343 104.4530 45.5640 0.0000 172.3024 12 V 5.1271 7.7569 119.1467 60.4798 34.5235 174.5338 13 V 4.7957 9.2040 121.9570 59.9861 34.8065 174.3229 14 I 5.2238 8.4009 114.9204 59.3538 40.7061 173.9173 15 A 4.8930 8.7174 124.4141 50.8614 23.1845 174.3521 16 A 5.5583 8.3474 117.9938 52.2264 22.0740 176.2644 17 D 4.7576 8.6000 119.9465 52.6224 41.9470 176.1972 18 T 4.7760 8.2110 106.1331 61.5030 70.5059 172.7744 19 R 4.8410 8.5212 122.8591 55.9155 31.2200 175.3762 20 S 4.9994 9.1636 121.7566 56.7100 64.9611 172.7487 21 T 5.1186 8.4310 115.6055 60.1319 72.2410 173.1760 22 Q 4.3954 9.1192 123.4414 53.7134 30.8780 175.8992 23 G 3.6714 8.8092 116.0394 46.5633 0.0000 172.3347 24 P 4.6081 0.0000 0.0000 62.4260 31.9761 175.3425 25 I 4.1505 7.6340 121.6206 60.0879 38.2386 175.1657 26 V 4.2263 8.2259 124.6701 62.0835 31.2957 175.4929 27 A 4.1218 8.6167 131.7313 54.2001 18.8175 176.9286 28 D 4.8149 7.7999 115.5353 52.4382 43.1904 176.0976 29 K 4.2328 8.7178 125.4864 58.1209 33.0305 177.1834 30 N 5.2124 8.1727 116.8165 52.8139 39.0668 172.8391 31 C 4.6964 8.6557 117.0194 57.0687 32.6156 174.2771 32 A 4.7189 8.4149 120.9925 50.5584 19.7352 176.8510 33 K 4.3023 8.8023 121.1440 56.6104 33.9562 176.0218 34 L 4.8017 7.8075 121.0116 54.1151 42.3562 175.7517 35 H 5.0365 9.8648 122.4873 53.9562 32.2844 173.3583 36 R 3.5514 7.9261 120.4689 54.6696 30.7832 175.7300 37 I 3.9106 8.4660 128.3424 63.2068 38.0271 175.7800 38 S 4.6000 7.2004 112.2251 55.7230 66.1294 172.5366 39 P 4.2930 0.0000 0.0000 65.2950 31.2548 177.6959 40 K 4.7073 7.9074 114.3346 55.9092 32.8159 175.0412 41 I 4.8353 7.7853 121.1646 59.6407 39.3464 174.6116 42 W 5.0329 9.2952 127.3665 54.9051 32.3543 174.7762 43 C 5.4327 9.7518 122.6028 57.6449 34.9460 172.4689 44 A 5.4223 8.4122 125.5043 49.1243 21.8000 175.3417 45 G 4.5651 8.7862 107.3044 44.4534 0.0000 171.5417 46 A 4.8125 9.4794 123.5739 50.4926 22.7155 174.6118 47 G 4.0764 8.9143 102.7591 44.3427 0.0000 175.2955 48 T 3.8996 8.7688 119.6635 63.6389 68.0336 174.6608 49 A 3.9976 8.9215 129.2583 55.4674 18.2385 178.7446 50 A 3.9587 8.0790 118.2790 55.4696 18.3037 179.5230 51 D 4.2377 8.2078 117.5675 57.6927 41.0864 179.0450 52 T 3.8472 7.8450 109.8900 64.7444 68.8864 176.0169 53 E 3.6829 8.2987 121.9181 58.8168 29.6245 178.6921 54 A 3.9469 8.2265 121.4034 55.1365 18.5038 180.0572 55 V 3.4834 7.9582 117.8642 65.1569 31.4116 178.8156 56 T 3.8566 7.7472 116.0993 66.4154 68.1887 176.8220 57 Q 3.9241 7.9218 119.7148 58.4984 28.7986 178.1111 58 L 3.8989 7.9958 121.5097 58.4470 42.1294 179.2217 59 I 3.7785 7.7042 119.6876 64.1678 37.0107 178.6710 60 G 3.5685 8.0344 106.7013 47.6939 0.0000 175.5833 61 S 4.0603 8.5686 115.9239 61.4274 62.4076 176.1736 62 N 4.3784 8.2466 118.9628 56.2482 38.0973 177.5788 63 I 3.7064 8.0913 121.9555 64.0510 37.1260 178.0691 64 E 3.9007 8.2721 120.1780 59.4203 29.5658 178.8374 65 L 4.0279 8.0062 119.0032 58.0745 41.5479 179.1584 66 H 4.1461 8.6071 118.5582 59.1939 29.8712 177.1986 67 S 4.2207 8.4329 115.3115 61.5680 61.9879 176.2459 68 L 4.0413 7.9180 120.5697 57.8598 41.4078 178.5585 69 Y 4.0998 7.9061 119.1438 60.2546 38.9079 176.9748 70 T 4.3532 8.2930 108.0946 60.8574 69.5712 174.6332 71 S 3.7853 7.9551 116.5208 59.7600 61.1449 172.0355 72 R 4.7770 7.6955 115.7768 53.9430 33.8764 175.2533 73 E 4.1877 8.5261 119.0527 55.6001 30.1257 175.6784 74 P 4.4543 0.0000 0.0000 62.6907 32.2506 175.9530 75 R 4.8105 8.2215 119.9856 54.2237 32.5550 177.1628 76 V 3.5709 9.1962 122.6825 66.6322 31.3425 178.9341 77 V 3.6212 7.8374 111.1301 64.4478 31.2159 178.6562 78 S 4.0738 8.2755 115.1467 61.4351 62.6935 176.4592 79 A 3.9437 7.9026 123.0579 54.7679 18.0829 179.3609 80 L 3.8627 8.0395 119.1296 58.4190 42.2518 179.0207 81 Q 3.9275 8.3229 119.8332 59.4606 28.8630 178.0820 82 M 4.0690 8.2958 119.9692 58.2069 31.8820 178.7639 83 L 4.0170 8.0652 119.3547 57.6198 41.8926 179.6432 84 K 3.9873 8.1966 118.7836 60.3669 32.4975 179.1413 85 Q 4.1890 8.1281 119.5415 58.5334 28.3794 178.4555 86 H 4.2190 8.1179 119.4735 59.4060 29.8213 177.3220 87 L 4.0390 8.0643 119.6517 57.6983 41.6661 179.0264 88 F 4.1275 8.9101 120.9050 61.1980 39.1475 176.8002 89 K 3.7689 7.9371 117.9213 59.6203 32.0747 177.0136 90 Y 4.2805 7.6504 115.4655 57.7895 38.3803 175.9540 91 Q 2.8700 7.8245 117.7659 56.8994 26.5737 176.3504 *93 G 4.1107 7.7693 106.6873 45.4550 0.0000 175.1340 94 H 4.2937 8.5971 116.9578 57.9337 28.8242 175.9128 95 I 4.1855 6.8273 117.5590 59.5723 36.2720 176.1737 96 G 4.1345 8.3535 116.1524 46.2269 0.0000 169.1215 97 A 5.2098 7.4738 120.7964 50.4824 21.9048 176.5489 98 Y 4.6092 8.7910 119.6499 56.1918 41.1586 174.9731 99 L 5.4053 8.6668 122.6749 53.0931 46.6716 176.0434 100 I 4.5997 8.8316 121.8166 59.7435 39.8428 174.8392 101 V 4.9825 8.5135 126.8153 59.9781 33.3249 174.9831 102 A 4.8004 9.5981 124.9491 49.7617 23.3226 175.2021 103 G 4.4459 7.6428 108.4763 45.8946 0.0000 172.1434 104 V 4.5736 7.7241 111.9851 59.6514 34.7438 176.1317 105 D 4.2476 8.4012 120.7846 54.0098 38.8138 175.1190 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 T 8.17 4.50 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 1.23 0.00 0.00 2 T 9.24 4.53 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 3 I 9.28 5.17 1.91 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 1.37 0.70 0.94 0.00 0.00 4 V 8.83 4.65 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 0.81 0.00 0.00 0.94 0.00 0.00 5 G 8.53 4.55 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 0.00 0.00 0.00 6 V 9.12 4.60 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 1.12 0.00 0.00 0.96 0.00 0.00 7 K 8.87 4.90 0.00 1.70 1.68 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.38 7.81 8 F 8.64 5.11 0.00 3.17 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 9 N 8.85 4.19 0.00 2.88 3.09 0.00 0.00 5.70 8.04 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 10 N 7.86 4.90 0.00 2.63 2.81 0.00 0.00 6.81 7.98 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 11 G 6.13 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 12 V 7.76 5.13 2.04 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 0.74 0.00 0.00 1.04 0.00 0.00 13 V 9.20 4.80 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 1.07 0.00 0.00 0.91 0.00 0.00 14 I 8.40 5.22 1.97 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.98 0.00 0.00 15 A 8.72 4.89 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 16 A 8.35 5.56 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 17 D 8.60 4.76 0.00 2.70 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 18 T 8.21 4.78 4.42 0.00 0.00 0.00 0.00 0.00 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 19 R 8.52 4.84 0.00 1.85 2.05 0.00 3.21 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 20 S 9.16 5.00 0.00 3.90 3.84 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 21 T 8.43 5.12 4.33 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 1.21 0.00 0.00 22 Q 9.12 4.40 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.86 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 23 G 8.81 3.67 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 24 P 0.00 4.61 0.00 2.18 2.16 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 25 I 7.63 4.15 1.97 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 1.18 0.62 0.91 0.00 0.00 26 V 8.23 4.23 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 0.93 0.00 0.00 27 A 8.62 4.12 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 28 D 7.80 4.81 0.00 2.68 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 K 8.72 4.23 0.00 1.79 1.84 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.42 7.81 30 N 8.17 5.21 0.00 2.71 2.68 0.00 0.00 7.11 7.45 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 31 C 8.66 4.70 0.00 3.05 3.17 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 0.00 32 A 8.41 4.72 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 33 K 8.80 4.30 0.00 1.72 1.85 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.53 7.81 34 L 7.81 4.80 0.00 1.60 1.89 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.86 5.04 0.00 2.92 3.09 0.00 5.58 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 36 R 7.93 3.55 0.00 0.67 1.15 0.00 3.06 0.00 0.00 2.86 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.63 0.00 37 I 8.47 3.91 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.59 0.85 0.00 0.00 38 S 7.20 4.60 0.00 3.91 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 39 P 0.00 4.29 0.00 2.12 2.26 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 40 K 7.91 4.71 0.00 1.68 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 41 I 7.79 4.84 1.84 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 1.24 0.59 0.96 0.00 0.00 42 W 9.30 5.03 0.00 3.29 3.19 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 43 C 9.75 5.43 0.00 2.92 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 44 A 8.41 5.42 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 45 G 8.79 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.48 4.81 1.22 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 0.00 0.00 47 G 8.91 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 48 T 8.77 3.90 4.39 0.00 0.00 0.00 0.00 0.00 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 49 A 8.92 4.00 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 50 A 8.08 3.96 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 51 D 8.21 4.24 0.00 2.95 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 52 T 7.85 3.85 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 1.39 0.00 0.00 53 E 8.30 3.68 0.00 2.05 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 0.00 2.26 2.30 0.00 54 A 8.23 3.95 1.32 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 0.00 0.00 0.00 55 V 7.96 3.48 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 0.81 0.00 0.00 0.92 0.00 0.00 56 T 7.75 3.86 4.35 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 1.13 0.00 0.00 57 Q 7.92 3.92 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 58 L 8.00 3.90 0.00 1.74 1.55 0.88 1.08 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 59 I 7.70 3.78 1.95 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 1.42 0.30 0.87 0.00 0.00 60 G 8.03 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.57 4.06 0.00 3.90 4.04 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 62 N 8.25 4.38 0.00 2.75 2.82 0.00 0.00 7.13 6.82 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 63 I 8.09 3.71 2.06 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 1.51 0.95 0.90 0.00 0.00 64 E 8.27 3.90 0.00 2.03 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 0.00 2.31 2.35 0.00 65 L 8.01 4.03 0.00 1.90 1.74 0.92 0.86 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 66 H 8.61 4.15 0.00 3.25 3.47 0.00 5.59 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 67 S 8.43 4.22 0.00 4.06 4.06 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 68 L 7.92 4.04 0.00 1.94 1.75 0.93 0.76 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 69 Y 7.91 4.10 0.00 3.09 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 70 T 8.29 4.35 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 1.18 0.00 0.00 71 S 7.96 3.79 0.00 4.04 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 72 R 7.70 4.78 0.00 1.76 1.80 0.00 3.23 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.83 0.00 73 E 8.53 4.19 0.00 1.97 1.90 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 2.33 2.29 0.00 74 P 0.00 4.45 0.00 2.05 1.99 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 75 R 8.22 4.81 0.00 1.85 1.87 0.00 3.16 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 76 V 9.20 3.57 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 1.12 0.00 0.00 1.03 0.00 0.00 77 V 7.84 3.62 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 0.80 0.00 0.00 0.93 0.00 0.00 78 S 8.28 4.07 0.00 4.02 3.82 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 79 A 7.90 3.94 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 80 L 8.04 3.86 0.00 1.90 1.87 0.93 0.74 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 81 Q 8.32 3.93 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 8.30 4.07 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 83 L 8.07 4.02 0.00 1.90 1.72 0.94 0.91 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 84 K 8.20 3.99 0.00 2.00 2.08 0.00 1.28 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.57 7.81 85 Q 8.13 4.19 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.70 0.00 86 H 8.12 4.22 0.00 3.36 3.56 0.00 5.79 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 87 L 8.06 4.04 0.00 1.81 1.71 0.86 1.16 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 88 F 8.91 4.13 0.00 3.19 3.23 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 89 K 7.94 3.77 0.00 1.97 1.99 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.93 1.32 7.81 90 Y 7.65 4.28 0.00 2.94 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 91 Q 7.82 2.87 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.44 0.00 0.00 0.00 0.00 0.00 2.06 2.28 0.00 *93 G 7.77 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 0.00 0.00 0.00 94 H 8.60 4.29 0.00 3.29 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.83 4.19 1.77 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.13 0.87 0.00 0.00 96 G 8.35 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 0.00 0.00 0.00 97 A 7.47 5.21 1.15 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 0.00 0.00 98 Y 8.79 4.61 0.00 3.11 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 99 L 8.67 5.41 0.00 1.50 1.65 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.83 4.60 1.92 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 1.34 0.91 0.96 0.00 0.00 101 V 8.51 4.98 2.11 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 0.73 0.00 0.00 0.96 0.00 0.00 102 A 9.60 4.80 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 0.00 103 G 7.64 4.45 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 0.00 104 V 7.72 4.57 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 0.74 0.00 0.00 0.97 0.00 0.00 105 D 8.40 4.25 0.00 2.80 2.66 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 * Residues marked with a * may have inaccurate shift predictions.