NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0A H 4.8045 8.4444 120.4049 56.0615 31.0548 173.5730 0B S 4.2545 8.3578 111.4416 57.3307 63.8351 173.1175 1 M 4.2519 9.4239 127.1516 58.0946 33.1890 176.3439 2 V 4.8339 7.4012 112.8907 61.4581 34.8142 174.0344 3 D 5.2913 9.2340 124.0998 54.4596 42.7674 176.1219 4 F 5.2258 8.3467 120.4976 57.0129 43.2735 172.8184 5 F 4.8792 8.0787 126.9302 57.5557 43.1079 172.6338 6 T 4.7640 9.0979 120.6964 60.3613 71.3994 172.3040 7 I 4.7169 9.1458 128.2376 59.3628 40.1308 174.5978 8 F 5.3837 8.0057 121.5047 54.7584 41.7984 174.4753 9 S 4.7781 8.9953 115.0802 57.9281 64.0188 175.3209 10 K 4.0493 8.8803 120.7673 59.0911 31.7098 178.9779 11 G 3.5936 8.2467 107.9887 46.7251 0.0000 174.3511 12 G 3.9988 8.2582 107.5681 45.0442 0.0000 173.5637 13 L 4.1789 8.0541 121.4333 53.5582 41.8931 176.4476 14 V 4.0492 8.2806 124.6302 62.9047 31.9619 175.1885 15 L 4.2557 8.5029 127.6663 56.2658 42.9727 176.8907 16 W 4.9400 7.7213 125.5102 56.6948 33.9161 172.1936 17 C 4.3769 7.3543 118.7522 53.6880 44.2026 172.6747 18 F 4.5668 8.6101 123.6488 56.0270 41.9390 175.2066 19 Q 4.7232 7.1384 123.0235 54.8012 29.4771 174.4346 20 G 4.0083 5.4656 105.2383 45.8558 0.0000 172.5325 21 V 4.0832 8.0434 117.8861 63.1036 31.7277 176.7552 22 S 4.3792 7.5763 113.6654 60.5251 62.8259 172.7267 23 D 4.5656 7.2113 117.4351 52.9786 43.4529 174.3944 24 S 4.0352 8.2850 112.1794 57.2839 63.2957 173.0285 25 C 4.9792 7.7539 115.2796 57.7011 39.6788 173.3279 26 T 4.3609 8.4273 117.3395 61.0473 69.1386 174.3058 27 G 4.0487 8.5603 109.5741 44.3033 0.0000 173.4438 28 P 3.7453 0.0000 0.0000 65.0876 31.2136 179.2436 29 V 3.5002 7.5419 116.4972 66.2603 31.4179 177.8028 30 N 4.3620 8.0671 115.2916 56.0312 38.3129 177.1791 31 A 4.0087 7.9034 122.5725 54.9844 18.4422 179.4541 32 L 3.9198 8.2225 119.3815 58.1463 42.0718 179.3385 33 I 3.6908 7.8515 119.8839 64.4693 36.8599 178.6706 34 R 3.9615 8.0830 117.9534 59.2120 30.0810 178.8287 35 S 4.4153 8.3700 114.0752 60.2982 63.2548 174.7777 36 V 4.2128 7.7400 118.2289 64.0700 32.8415 176.9858 37 L 3.8458 7.8028 119.7245 58.3660 41.9667 178.2863 38 L 4.5640 7.9071 115.6799 55.1805 41.2582 176.9249 39 Q 4.8086 7.7268 117.0023 55.3058 30.8868 175.8678 40 E 4.8591 7.6694 123.5374 57.2279 32.5193 178.4121 *48 T 3.9995 8.6005 106.6786 61.4486 69.4843 172.3199 49 H 4.9544 7.7535 117.1821 53.3975 31.0036 174.1234 50 E 4.1066 8.5900 119.3796 56.5734 29.8382 175.5816 51 A 4.8548 8.0697 121.3916 50.0884 22.6381 175.0846 52 L 4.6571 8.2649 120.2710 53.7583 44.1030 175.6425 53 T 4.2330 8.4916 124.0159 62.2678 70.2161 173.5347 54 L 5.2503 8.4747 128.4030 53.2591 43.8088 175.2075 55 K 5.0061 9.3956 125.5257 55.2443 36.5398 174.4124 56 Y 5.5433 8.0455 117.6543 55.3767 41.5835 174.3951 57 K 4.7371 9.4050 120.3226 54.8672 35.9905 174.8623 58 L 5.3268 8.7378 125.1600 53.1039 45.1046 175.7932 59 D 4.8544 9.1051 121.3460 52.7472 42.5101 176.1125 60 N 4.3935 8.8850 124.0642 55.6791 39.2935 177.1366 61 Q 3.8196 8.2556 118.5884 58.8641 29.0820 176.7463 62 F 4.8000 7.9947 112.7127 56.5498 39.9063 175.6543 63 E 3.7875 8.1228 119.2599 57.8795 26.3108 173.2657 64 L 5.0807 8.3407 118.8684 52.7942 46.5775 177.6744 65 V 4.6066 7.9405 120.8538 60.9933 34.8052 174.1133 66 F 4.9832 9.4430 126.6018 55.6354 41.6469 174.3435 67 V 5.0312 8.7840 124.7314 60.9464 34.0890 174.6531 68 V 4.9436 9.1198 127.2191 59.7970 34.9650 174.5683 69 G 4.7215 9.5785 110.6128 44.6381 0.0000 171.8333 70 F 5.5449 9.0267 119.4676 55.7374 41.9543 173.5831 71 Q 4.6768 8.9110 118.1801 55.4435 31.0276 174.0062 72 K 3.7773 8.9852 123.9831 56.2866 28.9112 176.0238 73 I 3.8870 8.1781 123.7631 64.2100 37.6334 176.6301 74 L 4.3225 8.0073 117.7396 56.5390 41.8954 177.9433 75 T 4.5122 8.1419 109.6689 61.7351 69.0734 175.8103 76 L 3.6429 7.8439 124.8974 59.1481 41.8959 179.2441 77 T 3.7197 7.6305 114.7879 66.7764 68.4452 176.1935 78 Y 4.1376 7.4523 118.1417 60.9267 37.8750 178.5329 79 V 3.5113 7.7356 119.1857 66.1305 31.5829 177.7982 80 D 4.2945 8.3922 118.9718 57.3392 40.5008 179.0676 81 K 3.9975 8.0167 119.0870 59.1970 31.9573 179.0884 82 L 3.9643 8.1362 120.7430 58.1528 41.9851 179.1495 83 I 3.9791 8.1055 119.8542 64.6823 37.1022 178.0748 84 D 4.3777 8.1737 119.6161 57.6040 40.6244 178.7709 85 D 4.3685 8.4858 119.6761 57.2792 40.7178 179.0108 86 V 3.8286 8.2325 119.1789 66.1152 31.4603 177.5786 87 H 4.0639 8.6808 118.3710 59.3496 29.5515 177.3318 88 R 3.8941 8.0657 119.8114 59.2346 29.9596 178.8835 89 L 4.0019 8.0168 119.9383 58.1077 42.1601 178.6428 90 F 3.8576 8.6859 121.1212 61.3135 39.1507 177.2466 91 R 4.1437 8.4968 114.1395 58.5061 29.3375 178.0178 92 D 4.4759 7.6100 119.9665 56.7564 41.1652 178.5076 93 K 3.6741 8.1559 118.8372 58.5399 32.2147 176.7999 94 Y 4.8324 7.2813 115.6720 57.4149 38.9205 177.5122 95 R 3.5853 7.6999 123.5744 59.8534 30.0224 178.8790 96 T 4.0289 7.9761 113.9034 66.8157 68.6110 176.3002 97 E 4.2026 8.4385 118.4727 58.2664 29.6343 178.0689 98 I 4.2468 7.5491 111.1370 61.9249 38.4583 176.9824 99 Q 4.5113 7.9538 118.6709 58.3946 28.9319 176.7361 100 Q 4.2392 7.1980 114.1462 55.9130 29.3962 176.1715 101 Q 4.1409 8.6371 121.5030 58.7905 29.7191 176.8814 102 S 4.1857 7.9679 112.2207 58.1585 63.0649 174.6882 103 A 4.1355 8.6373 128.5602 54.9246 18.1755 179.7090 104 L 3.9723 7.7657 117.9496 58.1682 41.4111 179.5640 105 S 4.2809 8.0393 112.6899 61.1005 61.8349 176.0121 106 L 4.4035 7.7763 121.0235 57.1240 41.5993 178.9378 107 L 4.0703 8.2950 118.5679 57.4257 41.6534 177.6716 108 N 4.7125 8.7006 113.7761 53.1272 39.0628 175.5085 109 G 3.6532 7.5222 107.6617 44.7710 0.0000 173.4244 110 T 4.4616 7.8626 110.8536 59.8554 70.3604 175.3302 111 F 4.0145 8.5763 127.7432 55.8677 37.8021 175.8261 112 D 4.8489 7.8928 122.8995 53.1014 40.0503 175.7392 113 F 4.6711 8.3044 123.4225 58.0617 40.0864 175.7432 114 Q 4.3901 8.5649 118.9633 60.4736 28.7790 178.2977 115 N 4.3085 8.2279 116.2602 56.7100 38.7760 177.1285 116 D 4.1687 7.7405 119.4149 56.8063 40.7258 178.6162 117 F 3.5669 7.4751 121.4205 61.0654 39.3782 177.1212 118 L 3.7072 8.1284 118.9723 57.7227 41.4193 179.5235 119 R 3.7385 7.6707 118.2962 59.5681 30.1740 178.7050 120 L 3.8882 7.4061 118.3420 57.0938 41.4569 179.4140 121 L 3.5756 7.4785 121.0182 58.0279 41.8386 178.8515 122 R 3.8219 8.1145 117.5116 59.3324 29.6818 177.6497 123 E 4.0296 8.2368 118.8329 58.6001 29.7610 178.1874 124 A 4.1750 7.7256 120.2307 54.1194 18.4214 178.3615 125 E 4.2856 7.6876 116.3141 56.5786 29.9515 177.5078 126 E 4.3715 7.6301 118.9247 58.1224 30.4734 178.3522 127 S 4.2181 7.9090 113.9589 61.1600 63.1724 176.2877 128 S 3.0401 7.4626 116.0028 59.9851 62.5161 174.4992 129 K 4.0962 7.4210 125.1798 56.2558 32.0091 175.9938 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 0A H 8.44 4.80 0.00 3.14 3.21 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0B S 8.36 4.25 0.00 3.97 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 1 M 9.42 4.25 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 2 V 7.40 4.83 2.35 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 1.40 0.00 0.00 1.17 0.00 0.00 3 D 9.23 5.29 0.00 2.76 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 4 F 8.35 5.23 0.00 3.23 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 5 F 8.08 4.88 0.00 3.24 2.51 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 6 T 9.10 4.76 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 1.45 0.00 0.00 7 I 9.15 4.72 1.57 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.02 -0.28 0.00 0.00 8 F 8.01 5.38 0.00 2.97 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 9 S 9.00 4.78 0.00 3.91 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 0.00 10 K 8.88 4.05 0.00 1.66 1.93 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.39 7.81 11 G 8.25 3.59 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 0.00 0.00 0.00 12 G 8.26 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 0.00 0.00 0.00 0.00 13 L 8.05 4.18 0.00 1.75 1.59 0.93 0.80 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 14 V 8.28 4.05 2.03 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 0.75 0.00 0.00 0.79 0.00 0.00 15 L 8.50 4.26 0.00 1.18 0.60 0.55 0.67 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 16 W 7.72 4.94 0.00 3.49 2.98 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 17 C 7.35 4.38 0.00 2.59 2.68 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 0.00 0.00 0.00 0.00 18 F 8.61 4.57 0.00 2.38 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 0.00 0.00 0.00 19 Q 7.14 4.72 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.35 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 20 G 5.47 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 0.00 0.00 0.00 21 V 8.04 4.08 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 0.88 0.00 0.00 1.12 0.00 0.00 22 S 7.58 4.38 0.00 3.87 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.21 4.57 0.00 2.69 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 24 S 8.28 4.04 0.00 3.89 3.79 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 25 C 7.75 4.98 0.00 3.16 3.55 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 26 T 8.43 4.36 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 1.19 0.00 0.00 27 G 8.56 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 3.75 0.00 1.87 1.65 0.00 3.32 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.60 0.00 29 V 7.54 3.50 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 1.02 0.00 0.00 0.86 0.00 0.00 30 N 8.07 4.36 0.00 2.75 2.83 0.00 0.00 6.97 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 31 A 7.90 4.01 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 32 L 8.22 3.92 0.00 1.70 1.80 0.91 0.92 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 33 I 7.85 3.69 1.99 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 1.50 0.57 0.90 0.00 0.00 34 R 8.08 3.96 0.00 1.77 1.99 0.00 3.15 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 35 S 8.37 4.42 0.00 4.04 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 36 V 7.74 4.21 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 1.08 0.00 0.00 1.02 0.00 0.00 37 L 7.80 3.85 0.00 1.58 1.86 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.91 4.56 0.00 1.68 1.67 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.73 4.81 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 40 E 7.67 4.86 0.00 2.03 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 2.04 2.32 0.00 *48 T 8.60 4.00 4.15 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 1.17 0.00 0.00 49 H 7.75 4.95 0.00 3.23 3.52 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.59 4.11 0.00 2.02 1.96 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 2.35 2.42 0.00 51 A 8.07 4.85 1.17 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 0.00 0.00 52 L 8.26 4.66 0.00 1.57 1.47 0.95 0.87 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 53 T 8.49 4.23 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 1.07 0.00 0.00 54 L 8.47 5.25 0.00 1.57 1.57 0.94 0.50 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 55 K 9.40 5.01 0.00 1.77 1.93 0.00 1.44 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.60 1.43 7.81 56 Y 8.05 5.54 0.00 3.00 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 57 K 9.41 4.74 0.00 1.74 1.63 0.00 1.36 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.47 7.81 58 L 8.74 5.33 0.00 1.63 1.60 1.02 0.92 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 59 D 9.11 4.85 0.00 2.92 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 60 N 8.89 4.39 0.00 2.75 2.85 0.00 0.00 7.11 7.69 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 61 Q 8.26 3.82 0.00 1.74 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.10 0.00 0.00 0.00 0.00 0.00 1.52 2.07 0.00 62 F 7.99 4.80 0.00 3.25 3.10 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 0.00 0.00 0.00 63 E 8.12 3.79 0.00 2.24 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 2.36 0.00 64 L 8.34 5.08 0.00 1.60 1.06 1.19 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.94 4.61 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 0.58 0.00 0.00 0.64 0.00 0.00 66 F 9.44 4.98 0.00 2.93 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 67 V 8.78 5.03 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 1.37 0.00 0.00 1.19 0.00 0.00 68 V 9.12 4.94 1.57 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 0.92 0.00 0.00 1.20 0.00 0.00 69 G 9.58 4.72 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 0.00 0.00 0.00 70 F 9.03 5.54 0.00 3.29 3.24 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 71 Q 8.91 4.68 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.40 0.00 0.00 0.00 0.00 0.00 2.47 2.61 0.00 72 K 8.99 3.78 0.00 2.13 2.02 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.48 7.81 73 I 8.18 3.89 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.30 0.96 0.00 0.00 74 L 8.01 4.32 0.00 1.73 1.77 0.96 0.88 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 75 T 8.14 4.51 4.40 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 1.35 0.00 0.00 76 L 7.84 3.64 0.00 2.11 1.79 0.98 0.65 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 77 T 7.63 3.72 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 0.91 0.00 0.00 78 Y 7.45 4.14 0.00 3.13 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 79 V 7.74 3.51 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.41 0.00 0.00 80 D 8.39 4.29 0.00 2.92 2.64 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 81 K 8.02 4.00 0.00 2.00 1.87 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.51 7.81 82 L 8.14 3.96 0.00 1.79 1.95 0.81 0.95 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 83 I 8.11 3.98 2.04 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 1.66 0.70 0.84 0.00 0.00 84 D 8.17 4.38 0.00 2.82 2.70 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 0.00 0.00 0.00 0.00 85 D 8.49 4.37 0.00 2.81 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 86 V 8.23 3.83 2.52 0.00 0.00 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 0.00 0.00 1.10 0.00 0.00 87 H 8.68 4.06 0.00 2.66 3.29 0.00 5.67 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 88 R 8.07 3.89 0.00 1.91 1.98 0.00 3.17 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 89 L 8.02 4.00 0.00 1.91 1.90 0.91 0.93 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 90 F 8.69 3.86 0.00 3.23 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 91 R 8.50 4.14 0.00 2.18 2.47 0.00 3.42 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.75 0.00 92 D 7.61 4.48 0.00 2.76 2.68 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 0.00 0.00 0.00 0.00 93 K 8.16 3.67 0.00 1.42 1.15 0.00 1.63 0.00 0.00 1.10 0.00 0.00 2.70 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 1.02 7.81 94 Y 7.28 4.83 0.00 2.83 2.67 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 95 R 7.70 3.59 0.00 1.84 1.83 0.00 3.06 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.24 0.00 96 T 7.98 4.03 4.20 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 1.19 0.00 0.00 97 E 8.44 4.20 0.00 2.10 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 0.00 2.03 2.25 0.00 98 I 7.55 4.25 1.95 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 -0.03 1.12 0.00 0.00 99 Q 7.95 4.51 0.00 2.44 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.95 0.00 0.00 0.00 0.00 0.00 2.64 2.39 0.00 100 Q 7.20 4.24 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 101 Q 8.64 4.14 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 102 S 7.97 4.19 0.00 3.92 3.75 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 0.00 103 A 8.64 4.14 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 0.00 104 L 7.77 3.97 0.00 1.67 1.77 0.94 0.97 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 0.00 105 S 8.04 4.28 0.00 4.02 4.02 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 0.00 106 L 7.78 4.40 0.00 1.88 1.72 0.94 0.77 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 0.00 107 L 8.29 4.07 0.00 1.79 1.77 0.94 0.92 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 0.00 108 N 8.70 4.71 0.00 2.72 2.86 0.00 0.00 6.99 7.52 0.00 0.00 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 G 7.52 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.86 4.46 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 0.00 111 F 8.58 4.01 0.00 3.21 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 0.00 112 D 7.89 4.85 0.00 2.73 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 0.00 113 F 8.30 4.67 0.00 2.99 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 0.00 0.00 0.00 114 Q 8.56 4.39 0.00 2.60 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.65 0.00 0.00 0.00 0.00 0.00 2.67 2.82 0.00 115 N 8.23 4.31 0.00 2.76 2.83 0.00 0.00 6.97 8.08 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 0.00 116 D 7.74 4.17 0.00 1.87 2.28 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 0.00 117 F 7.48 3.57 0.00 2.24 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 0.00 118 L 8.13 3.71 0.00 1.70 1.71 1.06 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.67 3.74 0.00 1.88 1.94 0.00 3.00 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 120 L 7.41 3.89 0.00 1.54 1.51 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.48 3.58 0.00 0.70 1.32 0.78 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 122 R 8.11 3.82 0.00 1.73 2.14 0.00 3.25 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 123 E 8.24 4.03 0.00 2.11 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 0.00 2.25 2.26 0.00 124 A 7.73 4.17 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 0.00 125 E 7.69 4.29 0.00 1.92 1.94 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 2.29 2.43 0.00 126 E 7.63 4.37 0.00 1.95 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 2.45 2.42 0.00 127 S 7.91 4.22 0.00 3.96 3.99 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 0.00 128 S 7.46 3.04 0.00 3.55 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 0.00 129 K 7.42 4.10 0.00 1.72 1.70 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.27 7.81 * Residues marked with a * may have inaccurate shift predictions.