NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4398 8.1933 115.2891 58.5938 64.7300 175.8877 7 T 3.7643 7.7460 116.9171 65.9376 68.2773 175.3442 8 K 4.0493 8.1543 120.3172 59.0918 32.6018 178.8740 9 K 4.0214 7.9788 119.6531 59.5364 32.1980 178.9971 10 T 3.8870 7.6913 116.3434 66.5620 68.4944 176.5524 11 Q 3.9677 7.9994 121.2675 59.1437 29.0936 178.1777 12 L 4.1422 7.9843 119.7813 57.2299 41.7228 179.4516 13 Q 4.0042 8.0508 118.3813 59.0104 28.6292 178.5934 14 L 4.0547 8.0149 119.9830 57.8355 41.6018 179.4892 15 E 3.9685 8.1854 118.4321 59.5554 29.4389 178.8595 16 H 4.3274 8.2971 118.4679 59.0284 29.9780 177.1555 17 L 3.9421 8.1239 122.4016 57.8572 41.9433 178.6229 18 L 3.9714 8.2062 120.6196 58.0678 41.9726 178.7631 19 L 3.9892 7.9449 120.2420 58.2511 42.1507 178.6845 20 D 4.3830 7.9712 118.3465 57.4665 40.7969 178.8367 21 L 4.0306 7.8871 119.3423 57.7721 41.6456 179.3696 22 Q 4.0174 8.2819 119.6167 59.3459 29.0039 178.1541 23 M 4.1789 8.4630 120.3818 58.1845 32.0574 178.8784 24 I 3.6689 7.6977 119.6503 64.2714 37.2098 178.2088 25 L 3.9470 7.8330 121.1692 58.0602 41.6340 178.5067 26 N 4.3925 8.0156 116.3968 56.6522 38.6889 176.9070 27 G 3.7610 7.8701 105.6564 47.5424 0.0000 175.8947 28 I 3.7065 7.5465 121.9474 64.2673 36.9084 177.9695 29 N 4.5572 7.7195 115.7590 55.2217 38.5264 175.5326 30 N 4.6206 7.1615 116.2992 54.5685 40.3051 175.6884 31 Y 4.9738 6.7088 121.9304 58.3688 36.8485 175.0005 *34 P 4.4787 0.0000 0.0000 63.5646 33.3952 178.5876 35 K 4.0179 7.8888 118.0971 59.2977 31.9202 178.5036 36 L 4.1133 7.9122 119.4514 58.4325 42.3098 178.6315 37 T 4.0688 7.8809 115.3992 66.5867 67.9173 176.7624 38 R 4.0966 7.7552 118.7250 59.1093 30.1504 178.4726 39 M 4.2183 7.9819 117.7009 57.7070 32.4765 177.5781 40 L 4.3393 7.4358 116.0928 56.5877 42.1175 178.1882 41 T 3.9865 7.4872 108.0360 63.8811 69.0198 174.9979 42 F 3.8289 7.7354 124.6010 57.8544 39.6895 174.0320 43 K 4.8922 7.7600 127.0035 54.6723 34.4656 175.5306 44 F 4.8547 9.1127 122.0424 55.7355 42.7029 174.0869 45 Y 4.7821 8.5940 119.5094 58.0550 38.6758 174.9852 46 M 5.2396 8.8838 121.9408 52.9579 35.9388 173.7915 47 P 4.8912 0.0000 0.0000 62.2237 32.4796 177.2025 48 K 4.1311 8.4478 121.4472 58.9920 32.0921 178.4424 49 K 4.1340 7.6308 116.4045 55.7316 34.6256 174.7296 50 A 4.4137 8.4260 128.0366 50.6637 19.4025 175.3969 51 T 4.5114 8.7573 111.1684 63.2025 71.0550 174.3855 52 E 4.6847 7.9965 120.1507 54.1417 31.7666 176.7631 53 L 4.3837 8.2630 119.5196 57.6814 41.6594 179.8501 54 K 3.9907 7.8229 118.0873 59.0925 32.0456 177.8694 55 H 4.7426 7.7306 114.7855 56.6001 28.7323 176.6600 56 L 3.9726 7.7658 121.6873 56.4272 41.5428 178.8092 57 Q 4.0958 7.8090 117.5606 58.8325 28.3597 177.7616 58 C 4.5479 8.0583 117.1304 59.6886 36.3105 175.4629 59 L 3.8232 7.3810 121.6531 57.8235 41.3772 178.2318 60 E 3.8935 8.0969 119.2917 59.5154 29.3332 178.7509 61 E 4.1517 8.1465 116.7960 58.4937 29.7931 178.0737 62 E 4.7204 7.9793 117.2998 56.4160 29.8406 177.7483 63 L 4.1646 7.7438 122.5334 57.4982 41.6898 179.5090 64 K 4.0149 8.0148 118.1370 59.0976 32.1014 177.4710 65 P 4.4142 0.0000 0.0000 65.4315 31.0263 178.4392 66 L 4.1173 8.0295 119.3755 58.0684 41.9598 178.6056 67 E 3.9392 8.4457 119.4564 59.0736 29.5447 178.6824 68 E 4.0540 8.1847 118.9684 59.4879 29.4179 179.7887 69 V 3.2041 6.9091 118.6098 64.5327 30.9754 178.3256 70 L 4.0586 7.2932 118.8570 57.4480 41.4954 178.7620 71 N 4.5446 7.8877 115.8255 56.0731 38.5935 177.0593 72 L 4.1705 7.8267 118.6934 54.4427 42.0343 178.1308 73 A 4.1468 7.7640 118.0636 51.6280 18.1186 179.2478 *78 F 4.2335 9.0050 124.2286 57.6612 40.3530 175.9031 *81 R 4.1761 8.2105 126.6868 57.5664 31.7723 171.1181 82 P 4.5949 0.0000 0.0000 64.7667 31.0349 179.0284 83 R 4.2319 7.8950 118.5577 58.9824 29.5937 178.1941 84 D 4.4010 8.0558 118.4355 56.9713 41.0068 178.3404 85 L 4.0052 7.7467 120.9773 58.3441 42.1415 179.1710 86 I 3.7997 7.7187 119.3238 64.2173 36.5743 178.3374 87 S 4.1344 7.8279 113.6363 61.4461 62.0383 176.0509 88 N 4.3897 7.9487 118.6921 56.2565 38.2350 177.5654 89 I 3.6852 7.6550 120.8719 64.1972 37.2705 177.8363 90 N 4.2331 8.5337 118.4284 56.6487 38.6706 177.0449 91 V 3.5358 7.4822 118.9353 66.0930 31.7201 177.8185 92 I 3.6747 7.4122 119.6031 64.4864 36.9959 178.5030 93 V 3.5533 7.8769 118.7762 66.1891 31.1660 178.1448 94 L 4.0465 7.5844 116.9272 57.7729 41.4697 179.0826 95 E 4.1486 8.4399 118.3881 59.1462 29.4580 178.9581 96 L 4.1641 7.9350 118.8781 58.5794 42.2124 177.9031 97 K 4.4540 7.9502 120.8497 56.3285 35.3170 176.1845 *100 E 4.4096 8.5951 114.9900 56.2414 31.4729 176.2455 101 T 4.5150 7.6970 113.4820 61.8885 71.4713 173.4356 102 T 4.3388 8.5769 123.4467 62.2057 68.3923 173.8801 103 F 4.6736 8.5047 128.9181 55.9761 41.3023 174.2836 104 M 4.0058 7.9914 128.4450 55.2145 32.2953 175.9973 105 C 4.5681 8.4716 126.7375 56.4269 40.9463 172.1353 106 E 4.6331 8.5388 123.8046 54.8932 31.4178 174.4272 107 Y 5.2381 8.4320 121.9779 56.2923 39.7622 175.7854 108 A 4.3503 9.2446 126.2799 51.8952 19.2598 177.8241 109 D 4.5137 8.7085 119.6264 56.5401 41.2049 176.8338 110 E 4.5616 8.0001 119.2163 54.6653 31.0166 175.1789 111 T 4.6947 8.2448 115.5836 61.0052 70.8433 173.2134 112 A 5.0183 8.7629 123.2554 50.2015 23.4029 175.7343 113 T 4.7278 8.4158 109.6275 61.0219 70.7102 175.6104 114 I 3.5877 8.7014 120.6515 64.2651 37.9801 177.7773 115 V 3.6301 7.8006 118.6705 66.0063 31.3608 177.5207 116 E 4.0243 7.9894 117.7636 58.8684 29.0328 178.5630 117 F 4.1544 8.5234 121.1262 61.2006 39.3955 177.2239 118 L 3.9389 8.0513 118.5403 57.9624 41.4917 179.1962 119 N 4.3167 8.0083 116.0414 56.3367 38.4373 177.4743 120 R 3.7582 7.7110 119.9832 59.1297 30.1527 178.5760 121 W 4.4139 7.6150 117.3807 59.2506 29.0554 178.7928 122 I 3.7978 8.2020 120.4864 64.8110 36.3577 178.5625 123 T 3.8941 7.8456 115.2540 66.3741 68.4515 176.1682 124 F 4.3060 8.3046 122.6324 61.6986 39.3291 177.0297 125 C 3.9304 8.3899 116.1992 62.8845 27.8420 176.1506 126 Q 3.9914 8.1519 119.3703 58.4534 27.9846 178.5444 127 S 4.0491 7.3907 113.6343 61.0685 62.7628 175.8654 128 I 3.9459 7.1540 123.4618 63.7596 36.7443 178.2325 129 I 3.6897 7.1679 119.7795 64.3071 36.9508 178.0705 130 S 4.2598 7.5344 112.6101 59.9868 62.8905 174.6646 131 T 4.5654 7.6305 114.0641 60.6311 68.5669 174.7204 132 L 4.1099 7.5114 125.7934 57.2771 40.2972 175.3058 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 S 8.19 4.44 0.00 3.87 3.92 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 7 T 7.75 3.76 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 1.20 0.00 0.00 8 K 8.15 4.05 0.00 1.79 1.84 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.48 7.81 9 K 7.98 4.02 0.00 1.82 1.80 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.52 7.81 10 T 7.69 3.89 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 1.20 0.00 0.00 11 Q 8.00 3.97 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 12 L 7.98 4.14 0.00 1.83 1.69 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.05 4.00 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 14 L 8.01 4.05 0.00 1.79 1.69 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.19 3.97 0.00 2.27 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 0.00 2.32 2.41 0.00 16 H 8.30 4.33 0.00 3.38 3.43 0.00 5.60 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.12 3.94 0.00 1.92 1.85 0.86 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.21 3.97 0.00 1.92 1.86 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.94 3.99 0.00 2.00 1.70 0.94 1.33 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 20 D 7.97 4.38 0.00 2.94 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 21 L 7.89 4.03 0.00 1.74 1.72 0.95 0.62 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 22 Q 8.28 4.02 0.00 2.46 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 23 M 8.46 4.18 0.00 2.19 2.37 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.63 0.00 24 I 7.70 3.67 1.93 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 1.20 1.23 0.65 0.00 0.00 25 L 7.83 3.95 0.00 1.86 1.66 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.02 4.39 0.00 2.86 2.85 0.00 0.00 7.21 7.94 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 27 G 7.87 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 28 I 7.55 3.71 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.23 0.98 0.00 0.00 29 N 7.72 4.56 0.00 2.61 2.86 0.00 0.00 7.00 8.98 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 30 N 7.16 4.62 0.00 2.73 2.61 0.00 0.00 7.21 7.42 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 31 Y 6.71 4.97 0.00 3.11 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.48 0.00 2.21 2.14 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 35 K 7.89 4.02 0.00 1.78 1.74 0.00 1.32 0.00 0.00 0.70 0.00 0.00 2.39 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.34 7.81 36 L 7.91 4.11 0.00 1.80 1.76 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.88 4.07 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 1.23 0.00 0.00 38 R 7.76 4.10 0.00 2.02 1.97 0.00 3.11 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 39 M 7.98 4.22 0.00 2.10 2.21 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 2.57 2.53 0.00 40 L 7.44 4.34 0.00 1.89 1.76 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.49 3.99 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 42 F 7.74 3.83 0.00 3.14 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 43 K 7.76 4.89 0.00 1.31 1.47 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.21 7.81 44 F 9.11 4.85 0.00 2.86 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 Y 8.59 4.78 0.00 2.78 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 0.00 0.00 0.00 46 M 8.88 5.24 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.73 0.00 47 P 0.00 4.89 0.00 1.83 1.91 0.00 3.49 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 1.34 2.26 0.00 48 K 8.45 4.13 0.00 1.76 1.86 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.24 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.40 7.81 49 K 7.63 4.13 0.00 1.77 1.71 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.05 1.40 7.81 50 A 8.43 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.76 4.51 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 1.24 0.00 0.00 52 E 8.00 4.68 0.00 1.80 1.80 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 0.00 2.30 2.31 0.00 53 L 8.26 4.38 0.00 1.70 1.76 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.82 3.99 0.00 1.24 1.30 0.00 1.37 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.37 7.81 55 H 7.73 4.74 0.00 3.23 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.77 3.97 0.00 1.77 1.61 1.12 1.19 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 57 Q 7.81 4.10 0.00 2.39 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 58 C 8.06 4.55 0.00 3.56 3.64 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 59 L 7.38 3.82 0.00 0.27 0.89 0.33 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.10 3.89 0.00 2.16 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 0.00 2.32 2.35 0.00 61 E 8.15 4.15 0.00 2.39 2.23 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 2.47 2.44 0.00 62 E 7.98 4.72 0.00 2.38 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 2.70 3.11 0.00 63 L 7.74 4.16 0.00 1.82 1.73 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.01 4.01 0.00 1.81 1.90 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.50 7.81 65 P 0.00 4.41 0.00 2.25 2.09 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 66 L 8.03 4.12 0.00 1.96 1.93 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.45 3.94 0.00 2.24 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 0.00 2.47 2.37 0.00 68 E 8.18 4.05 0.00 2.33 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 2.40 2.37 0.00 69 V 6.91 3.20 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 0.00 0.00 0.72 0.00 0.00 0.61 0.00 0.00 70 L 7.29 4.06 0.00 1.75 1.79 0.87 0.51 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 71 N 7.89 4.54 0.00 2.96 2.88 0.00 0.00 7.06 7.62 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 72 L 7.83 4.17 0.00 1.76 1.73 1.07 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.76 4.15 1.11 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 *78 F 9.01 4.23 0.00 3.21 3.12 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 0.00 0.00 0.00 *81 R 8.21 4.18 0.00 1.84 1.86 0.00 3.25 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.30 0.00 82 P 0.00 4.59 0.00 2.20 2.22 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 83 R 7.89 4.23 0.00 1.86 1.94 0.00 3.40 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 84 D 8.06 4.40 0.00 2.90 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 85 L 7.75 4.01 0.00 1.82 1.89 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.72 3.80 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 1.70 0.78 0.99 0.00 0.00 87 S 7.83 4.13 0.00 4.13 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 88 N 7.95 4.39 0.00 2.96 2.82 0.00 0.00 7.01 7.20 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 89 I 7.65 3.69 1.98 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 1.37 0.61 0.85 0.00 0.00 90 N 8.53 4.23 0.00 2.85 2.97 0.00 0.00 6.86 7.26 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 91 V 7.48 3.54 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 1.05 0.00 0.00 1.01 0.00 0.00 92 I 7.41 3.67 1.96 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 1.62 0.78 0.94 0.00 0.00 93 V 7.88 3.55 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 0.94 0.00 0.00 0.85 0.00 0.00 94 L 7.58 4.05 0.00 1.86 1.72 0.98 1.00 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 95 E 8.44 4.15 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 2.35 2.48 0.00 96 L 7.94 4.16 0.00 1.88 1.76 0.95 0.78 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 97 K 7.95 4.45 0.00 1.93 1.78 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.33 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.62 7.81 *100 E 8.60 4.41 0.00 2.01 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 2.22 2.35 0.00 101 T 7.70 4.51 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 1.26 0.00 0.00 102 T 8.58 4.34 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 0.00 103 F 8.50 4.67 0.00 2.90 2.93 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 0.00 104 M 7.99 4.01 0.00 1.76 1.73 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 2.49 2.43 0.00 105 C 8.47 4.57 0.00 2.96 2.55 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 0.00 106 E 8.54 4.63 0.00 1.91 1.80 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 0.00 2.23 2.18 0.00 107 Y 8.43 5.24 0.00 2.84 2.87 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 0.00 0.00 0.00 108 A 9.24 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 0.00 109 D 8.71 4.51 0.00 2.70 2.79 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 0.00 0.00 0.00 110 E 8.00 4.56 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 2.24 2.30 0.00 111 T 8.24 4.69 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 0.89 0.00 0.00 112 A 8.76 5.02 1.42 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 0.00 0.00 0.00 113 T 8.42 4.73 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 1.33 0.00 0.00 114 I 8.70 3.59 2.06 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 1.04 0.00 0.00 115 V 7.80 3.63 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 1.00 0.00 0.00 0.98 0.00 0.00 116 E 7.99 4.02 0.00 2.19 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 2.32 2.33 0.00 117 F 8.52 4.15 0.00 3.11 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 0.00 118 L 8.05 3.94 0.00 1.76 1.69 0.92 0.54 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 0.00 119 N 8.01 4.32 0.00 2.97 2.85 0.00 0.00 6.72 6.95 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 0.00 120 R 7.71 3.76 0.00 1.82 1.52 0.00 2.94 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.21 0.00 121 W 7.61 4.41 0.00 3.33 3.03 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 0.00 122 I 8.20 3.80 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 1.55 0.63 0.93 0.00 0.00 123 T 7.85 3.89 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 1.20 0.00 0.00 124 F 8.30 4.31 0.00 3.01 3.34 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 0.00 125 C 8.39 3.93 0.00 3.25 2.97 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 0.00 126 Q 8.15 3.99 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 127 S 7.39 4.05 0.00 3.92 3.91 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 0.00 128 I 7.15 3.95 1.64 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.34 0.80 0.00 0.00 129 I 7.17 3.69 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.48 0.88 0.00 0.00 130 S 7.53 4.26 0.00 4.06 3.95 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 0.00 131 T 7.63 4.57 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 1.24 0.00 0.00 132 L 7.51 4.11 0.00 1.68 1.58 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.