NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3025 8.1233 122.4689 52.0967 20.7883 175.0291 3 T 4.5659 8.0655 115.7258 61.4514 70.6713 172.0537 4 Y 4.5454 9.4485 125.5489 56.2634 41.0926 174.1293 5 Y 5.2592 9.1252 121.3431 56.6944 41.1883 174.2911 6 Y 6.1115 8.7671 119.3186 56.4441 41.6223 173.8068 7 I 4.8937 8.7506 113.4502 59.1952 41.0460 173.9451 8 L 5.5127 9.4299 125.8982 53.8046 45.7597 174.9499 9 A 4.8484 8.5918 125.7076 51.0180 23.6063 175.7543 10 S 4.7241 8.5055 113.3124 58.0689 64.1572 175.5199 11 K 4.0136 9.3098 123.6703 59.5873 31.8584 179.4127 12 K 4.1312 8.0568 120.0531 59.3093 32.3851 178.8078 13 F 4.0622 8.2544 121.5856 61.1626 39.6037 176.9932 14 L 4.4464 8.1821 117.2132 56.4139 41.2135 178.4693 15 T 4.2113 7.6165 108.8807 63.2866 69.9186 176.1239 16 E 4.1099 8.4778 120.1704 58.4281 30.0698 176.9809 17 E 4.0404 7.9405 117.6050 56.6894 30.3136 176.7336 18 E 4.4037 7.6015 125.0950 53.3965 29.5876 173.3297 19 P 4.9863 0.0000 0.0000 62.2688 32.4048 177.7323 20 L 4.7921 8.4303 120.2430 54.5159 42.1805 177.9256 21 E 3.9946 8.2206 121.7755 59.7416 29.4715 178.5094 22 E 3.9962 8.2855 118.5957 59.1640 29.7017 178.7854 23 V 3.6894 7.9209 117.8561 66.0453 31.7330 177.8716 24 F 4.0268 8.8277 117.7092 60.7831 38.9332 177.8982 25 R 4.0903 8.4603 117.7647 59.4190 29.8663 179.0860 26 E 4.0317 8.5403 118.5556 59.3486 29.4863 179.3553 27 R 3.8696 8.1345 118.8556 59.3245 29.6486 178.5927 28 Q 4.1233 8.6785 118.5480 58.6826 28.5337 178.6296 29 R 3.9314 8.0169 119.6550 59.6985 30.0929 177.8344 30 H 4.5667 8.2072 119.3070 58.9868 29.8089 176.4513 31 Y 3.8661 8.3671 118.2821 61.3948 37.7703 179.1760 32 R 4.0593 7.8611 118.2494 59.3267 30.0248 179.0145 33 E 4.0747 8.1582 118.3108 58.4740 29.1600 178.2522 34 Q 4.5706 7.3394 115.7769 54.3583 29.3392 175.5095 35 G 3.9082 7.7693 107.8050 46.5326 0.0000 173.8790 36 K 4.4749 8.1316 118.5928 54.0463 33.8535 176.1961 37 E 4.2869 8.5769 123.6951 55.1874 30.4193 176.2840 38 I 3.2419 8.4359 126.8946 62.0106 37.6356 175.3893 39 D 4.2663 8.1308 124.2815 52.1657 39.9413 174.5670 40 F 4.8910 5.8155 112.9275 55.4321 40.6848 173.8571 41 W 5.5654 9.9655 121.0774 55.2034 33.9899 173.5518 42 L 4.8072 8.9127 125.2894 54.5282 42.7942 176.3621 43 V 4.4846 9.2675 126.3850 60.1992 33.4321 172.3357 44 P 4.4725 0.0000 0.0000 62.8611 32.3377 176.3159 45 E 3.7041 9.0271 120.5909 56.6165 27.1539 173.1622 46 P 4.5752 0.0000 0.0000 62.6013 32.5122 178.2026 47 A 3.8550 8.7307 125.2428 54.9232 18.2697 179.6804 48 F 3.8484 7.8939 112.7775 59.8439 37.4209 177.2302 49 L 3.4367 5.8089 119.2069 57.1565 41.7934 177.8709 50 E 4.1929 7.6748 116.4947 56.3905 30.2520 176.8305 51 Q 4.3133 7.5399 119.3028 54.7800 30.0107 175.0726 52 P 4.2569 0.0000 0.0000 65.9895 31.3332 178.6137 53 Q 4.0203 8.0161 112.4775 57.7549 28.5417 176.4851 54 F 4.8771 8.2539 117.0631 57.2026 40.1005 176.7865 55 A 4.0407 8.2216 126.1831 55.3625 18.0950 180.1330 56 E 3.9205 8.1810 117.1411 59.6233 29.7874 178.9931 57 Q 4.0996 8.1675 117.5781 58.6932 28.6861 178.1052 58 K 3.7757 8.2962 119.8734 59.8261 32.2795 178.3564 59 A 4.1437 7.8795 119.2107 55.0807 18.3727 179.4220 60 R 4.1262 7.8748 114.8681 56.9607 30.4173 176.1321 61 C 4.6125 7.3736 119.7256 56.4366 32.7325 171.5404 62 P 4.4056 0.0000 0.0000 62.9234 31.6404 175.6082 63 Q 4.6961 8.2247 119.5479 53.5432 30.9777 173.7232 64 P 4.5349 0.0000 0.0000 62.9378 33.0564 175.1709 65 A 5.2283 8.4430 122.6770 50.6471 22.8113 174.8197 66 A 5.0726 8.9212 118.9630 50.8159 23.1175 175.4810 67 A 5.3522 9.2465 121.7500 50.2179 23.4075 175.2479 68 I 5.1915 8.8356 120.2607 59.9180 39.8295 174.8957 69 I 5.3532 9.2764 128.6196 59.9862 40.2723 174.8643 70 S 5.5857 9.6672 118.9886 58.2195 66.1414 174.3885 71 T 4.5447 8.7101 113.1922 61.7429 69.7106 174.1683 72 N 4.7588 8.4665 122.8297 52.1322 38.8159 174.7595 73 Q 3.4521 8.4611 127.4938 59.1499 28.9950 177.9435 74 Q 3.9806 7.9398 118.5025 58.7606 28.7113 178.4165 75 F 4.2932 8.1617 121.3169 61.4217 39.4839 177.1405 76 I 3.5282 7.6517 119.4010 64.4451 36.9046 178.4876 77 Q 3.9137 8.4222 119.3557 58.4972 28.4162 178.6003 78 W 4.0543 8.2871 129.5987 60.5075 30.6826 178.0866 79 L 3.3878 7.9245 118.9655 57.1801 40.8529 179.4773 80 K 3.7840 7.9386 119.7825 59.4355 31.9913 178.4645 81 L 3.8017 7.8434 119.4675 58.3365 41.9484 178.9562 82 R 3.7728 7.3151 116.9140 58.6725 30.0070 178.3974 83 L 4.2278 7.7822 117.5348 56.0103 42.2600 177.7107 84 E 3.9374 8.2406 123.6205 57.6101 30.2319 175.0676 85 Y 4.4693 7.3291 114.5512 57.0808 37.3465 175.1942 86 V 4.3710 6.9727 110.6158 60.1298 36.3945 175.2114 87 L 4.3662 8.7098 122.6056 53.9681 44.7662 174.9808 *89 G 3.6937 8.2389 105.6885 47.2380 0.0000 171.5472 90 Q 5.2562 8.5238 115.6646 55.5554 31.5446 173.3930 91 F 5.2572 8.4985 114.1790 56.5876 41.8448 172.8676 92 T 5.3254 8.8043 109.7865 59.7696 70.3195 175.6947 93 S 4.5861 8.9376 116.4291 60.9279 63.2722 176.5416 94 E 4.2486 7.8620 119.4240 58.9154 29.4132 177.7739 95 E 4.2412 8.1466 117.4750 57.1984 30.1605 176.4568 96 V 4.2485 7.0927 115.3655 60.1722 33.1191 172.9603 97 P 4.3591 0.0000 0.0000 65.3883 31.5182 177.1132 98 N 4.8009 7.6469 119.9384 50.0414 39.0595 172.9788 99 P 4.0410 0.0000 0.0000 65.3508 31.4685 177.6381 100 L 4.4117 7.4421 113.6490 54.2445 41.9033 176.2738 101 A 4.0792 7.7472 122.3655 52.2801 19.2307 177.1248 102 S 4.9791 8.5845 116.5973 56.2572 64.8335 173.4033 103 L 4.6388 8.7302 125.7665 54.3675 42.1987 176.6406 104 A 4.7012 7.7285 122.1171 52.4453 18.5226 178.4049 105 S 4.5641 8.4831 115.7448 58.2513 63.1272 174.0027 106 V 4.4415 7.0064 116.3970 61.0883 33.5213 173.4251 107 L 4.2042 8.2720 122.0344 54.1480 42.3114 177.0743 108 E 4.1186 8.7203 117.8838 56.9493 29.2558 176.9103 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 2 A 8.12 4.30 1.04 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 0.00 0.00 3 T 8.07 4.57 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 4 Y 9.45 4.55 0.00 1.51 2.40 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 5 Y 9.13 5.26 0.00 2.90 2.80 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 0.00 0.00 0.00 6 Y 8.77 6.11 0.00 3.19 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 7 I 8.75 4.89 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.00 0.91 0.00 0.00 8 L 9.43 5.51 0.00 2.10 1.80 0.99 1.32 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 9 A 8.59 4.85 1.24 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 0.00 0.00 0.00 10 S 8.51 4.72 0.00 4.06 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 11 K 9.31 4.01 0.00 1.92 1.86 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.46 7.81 12 K 8.06 4.13 0.00 2.22 2.08 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.44 7.81 13 F 8.25 4.06 0.00 3.14 3.30 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 14 L 8.18 4.45 0.00 1.83 1.78 1.11 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.62 4.21 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 1.29 0.00 0.00 16 E 8.48 4.11 0.00 1.99 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 2.28 2.40 0.00 17 E 7.94 4.04 0.00 1.16 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 2.22 2.37 0.00 18 E 7.60 4.40 0.00 1.41 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 1.73 2.32 0.00 19 P 0.00 4.99 0.00 2.18 2.03 0.00 3.30 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 20 L 8.43 4.79 0.00 1.95 2.11 1.15 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.22 3.99 0.00 2.06 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 2.44 2.41 0.00 22 E 8.29 4.00 0.00 2.14 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 2.67 2.42 0.00 23 V 7.92 3.69 2.54 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 1.32 0.00 0.00 1.16 0.00 0.00 24 F 8.83 4.03 0.00 3.39 3.27 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 25 R 8.46 4.09 0.00 1.94 2.06 0.00 3.18 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.98 0.00 26 E 8.54 4.03 0.00 2.08 1.98 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 2.36 2.51 0.00 27 R 8.13 3.87 0.00 1.55 1.27 0.00 2.21 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.22 0.00 28 Q 8.68 4.12 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.74 0.00 29 R 8.02 3.93 0.00 2.09 2.17 0.00 3.14 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 30 H 8.21 4.57 0.00 3.29 3.55 0.00 5.90 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 31 Y 8.37 3.87 0.00 3.30 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 32 R 7.86 4.06 0.00 2.02 2.00 0.00 3.21 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 33 E 8.16 4.07 0.00 2.06 1.98 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 2.34 2.65 0.00 34 Q 7.34 4.57 0.00 1.66 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 35 G 7.77 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 0.00 0.00 0.00 36 K 8.13 4.47 0.00 1.28 1.45 0.00 1.16 0.00 0.00 1.31 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.27 7.81 37 E 8.58 4.29 0.00 1.99 1.92 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 2.38 2.39 0.00 38 I 8.44 3.24 1.66 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.52 -0.32 0.00 0.00 39 D 8.13 4.27 0.00 2.67 2.80 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 0.00 0.00 0.00 40 F 5.82 4.89 0.00 2.80 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.97 5.57 0.00 3.43 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 42 L 8.91 4.81 0.00 1.20 1.48 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 43 V 9.27 4.48 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 1.12 0.00 0.00 1.09 0.00 0.00 44 P 0.00 4.47 0.00 2.11 2.03 0.00 3.98 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 45 E 9.03 3.70 0.00 2.05 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 2.20 2.19 0.00 46 P 0.00 4.58 0.00 1.54 2.16 0.00 3.55 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 47 A 8.73 3.86 1.25 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 0.00 0.00 0.00 48 F 7.89 3.85 0.00 2.36 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 49 L 5.81 3.44 0.00 0.56 1.37 0.81 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.67 4.19 0.00 1.99 1.92 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 2.27 2.40 0.00 51 Q 7.54 4.31 0.00 2.69 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 52 P 0.00 4.26 0.00 2.16 2.12 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 53 Q 8.02 4.02 0.00 1.65 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.24 0.00 0.00 0.00 0.00 0.00 1.77 1.92 0.00 54 F 8.25 4.88 0.00 3.23 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 55 A 8.22 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.18 3.92 0.00 2.05 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 2.40 2.38 0.00 57 Q 8.17 4.10 0.00 2.47 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.62 0.00 0.00 0.00 0.00 0.00 2.66 2.80 0.00 58 K 8.30 3.78 0.00 1.94 2.03 0.00 1.63 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.51 7.81 59 A 7.88 4.14 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 60 R 7.87 4.13 0.00 1.99 2.03 0.00 3.33 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 61 C 7.37 4.61 0.00 2.98 2.89 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 0.00 0.00 0.00 62 P 0.00 4.41 0.00 2.22 2.03 0.00 3.78 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 1.99 1.97 0.00 63 Q 8.22 4.70 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 64 P 0.00 4.53 0.00 2.10 2.16 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 65 A 8.44 5.23 1.29 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 0.00 0.00 66 A 8.92 5.07 1.25 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 0.00 0.00 0.00 67 A 9.25 5.35 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 68 I 8.84 5.19 2.13 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.15 1.34 0.00 0.00 69 I 9.28 5.35 2.31 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.31 1.20 0.00 0.00 70 S 9.67 5.59 0.00 4.18 3.97 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 71 T 8.71 4.54 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 1.05 0.00 0.00 72 N 8.47 4.76 0.00 3.00 2.88 0.00 0.00 6.79 6.26 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 73 Q 8.46 3.45 0.00 0.93 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.67 0.00 0.00 0.00 0.00 0.00 2.00 1.35 0.00 74 Q 7.94 3.98 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 75 F 8.16 4.29 0.00 3.13 3.26 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 76 I 7.65 3.53 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.94 0.95 0.00 0.00 77 Q 8.42 3.91 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 78 W 8.29 4.05 0.00 3.43 3.35 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 79 L 7.92 3.39 0.00 1.67 1.52 0.49 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.94 3.78 0.00 1.87 1.85 0.00 1.47 0.00 0.00 1.52 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.40 7.81 81 L 7.84 3.80 0.00 1.67 1.59 0.86 1.04 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 82 R 7.32 3.77 0.00 1.24 1.52 0.00 3.13 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.50 0.00 83 L 7.78 4.23 0.00 1.64 1.99 1.08 1.18 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 84 E 8.24 3.94 0.00 1.82 1.64 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 1.82 1.91 0.00 85 Y 7.33 4.47 0.00 2.63 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 86 V 6.97 4.37 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 0.64 0.00 0.00 0.92 0.00 0.00 87 L 8.71 4.37 0.00 1.71 1.75 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *89 G 8.24 3.69 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 0.00 0.00 0.00 90 Q 8.52 5.26 0.00 1.83 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 91 F 8.50 5.26 0.00 3.44 3.54 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 0.00 92 T 8.80 5.33 4.34 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 1.26 0.00 0.00 93 S 8.94 4.59 0.00 4.18 4.44 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.86 4.25 0.00 2.09 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 2.41 2.47 0.00 95 E 8.15 4.24 0.00 2.23 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 2.34 0.00 96 V 7.09 4.25 1.84 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 0.54 0.00 0.00 0.31 0.00 0.00 97 P 0.00 4.36 0.00 2.05 2.10 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 98 N 7.65 4.80 0.00 2.71 2.64 0.00 0.00 6.98 8.03 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 99 P 0.00 4.04 0.00 1.35 1.18 0.00 3.51 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.17 0.00 100 L 7.44 4.41 0.00 1.35 1.46 -0.49 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.75 4.08 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 0.00 102 S 8.58 4.98 0.00 3.84 3.69 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 0.00 103 L 8.73 4.64 0.00 1.45 1.60 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.73 4.70 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 0.00 105 S 8.48 4.56 0.00 3.81 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 0.00 106 V 7.01 4.44 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 0.69 0.00 0.00 0.92 0.00 0.00 107 L 8.27 4.20 0.00 1.65 1.63 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.72 4.12 0.00 2.06 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 2.27 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.