NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2669 8.3149 121.7896 55.2084 33.3892 175.5576 5 P 4.2227 0.0000 0.0000 62.3948 31.9165 174.3424 6 K 4.5607 8.1160 120.8112 55.2536 34.5553 177.6510 7 I 4.1331 7.9660 120.8790 61.0547 40.6567 174.2913 *9 I 4.2980 8.2975 120.3326 60.7709 39.5272 176.5070 10 S 5.4868 8.3871 121.0745 57.4836 64.1659 175.3085 11 S 4.1107 8.7214 117.6858 61.7727 62.4505 176.8015 12 L 3.9617 7.8511 122.4387 58.3694 41.8626 178.6537 13 D 4.6387 8.5551 120.0090 56.5233 40.7061 178.5700 14 A 4.0247 8.2991 121.6459 55.0581 18.4198 179.3152 15 E 3.8458 8.3746 117.7975 59.4869 29.7901 178.8945 16 R 3.8646 8.3160 119.0895 59.5061 30.0550 178.4706 17 L 4.1526 8.4392 119.0727 57.7029 41.6297 178.8930 18 E 3.9697 8.4263 119.4028 59.5260 29.3169 179.1238 19 I 3.9920 7.5604 119.6227 63.7166 37.0788 177.6959 20 L 4.1380 8.0878 121.2580 58.4568 41.7783 179.1841 21 L 4.1599 8.4444 119.1591 57.6469 41.0233 178.9171 22 E 3.9917 8.4656 119.7538 59.2306 29.3343 178.1295 23 T 4.3117 7.3982 106.2199 61.3240 69.6915 174.8530 24 L 4.2227 7.0851 122.2889 54.8736 42.5498 174.7238 25 S 4.2275 8.7854 114.4817 57.1529 63.4660 173.1079 *29 F 4.6822 8.3718 121.7208 55.5132 38.8431 174.1728 30 P 4.1106 0.0000 0.0000 66.0554 30.9986 177.2901 31 G 3.8564 7.9860 105.1956 45.4531 0.0000 174.9246 32 R 3.1389 6.7825 121.3268 59.3066 29.9272 178.2865 33 D 4.2902 7.6937 117.9415 57.3978 40.8645 178.3978 34 D 4.3400 7.8909 118.9412 57.1284 40.8466 178.4100 35 L 3.9663 8.2314 121.1697 58.3163 42.0963 178.6548 36 E 3.9512 8.5578 118.7118 59.5994 29.1559 179.4132 37 A 3.9909 7.9070 119.6625 55.0458 18.6106 179.1665 38 E 4.0819 8.2182 117.1310 59.7230 29.7166 179.6952 39 L 4.0146 8.2229 118.8071 57.6952 41.4353 179.3725 40 A 4.1311 8.2855 120.5365 54.0461 18.2954 178.2680 41 R 4.4275 7.3198 110.8563 55.6569 29.9941 175.9676 42 A 4.2937 7.5194 120.0829 52.4640 19.3778 178.0493 43 E 4.2615 9.0333 120.2980 55.4961 29.7761 176.5915 44 V 4.3762 8.2522 125.7683 61.9115 32.5547 175.1732 45 V 4.6652 8.6368 120.5206 59.3549 36.7974 174.8136 46 D 4.7514 9.0682 121.1453 53.8282 41.3302 176.3685 47 P 4.2606 0.0000 0.0000 65.6389 31.4853 178.3811 48 E 4.1453 8.0634 114.3185 58.2626 29.7610 177.2575 49 E 4.2286 8.1176 118.2073 57.0438 30.0150 176.1272 50 I 4.2906 7.3129 121.0004 58.9024 38.3283 174.1461 51 P 4.4363 0.0000 0.0000 61.9369 31.7211 175.4171 52 P 4.5388 0.0000 0.0000 64.4438 31.5554 177.0551 53 T 4.1284 7.7499 109.1376 62.4902 69.5171 173.8576 54 V 4.5007 7.3294 123.3140 61.5438 32.9936 175.5477 55 V 3.5066 8.9974 128.8560 64.8834 32.2054 174.5297 56 T 4.2053 8.7128 118.1859 62.1798 70.6837 175.1429 *58 N 4.8423 9.2190 116.4346 52.1062 41.7047 175.5535 59 S 4.0367 7.9556 114.8437 57.8717 65.3341 173.0513 60 T 4.8942 8.5849 118.3426 62.0662 70.3172 173.7444 61 V 4.3822 8.7230 127.2221 60.9865 33.4810 174.5701 62 R 4.5646 8.6332 129.1560 54.9288 31.8446 174.8601 63 F 5.1483 9.0196 124.8667 55.5320 42.5036 174.1984 64 R 5.0300 8.7009 122.3896 54.2598 33.0427 174.9798 65 V 4.0939 8.9453 127.1346 62.8081 31.9317 176.9121 66 E 3.9847 8.9406 128.5814 59.2921 29.4708 178.0067 67 S 4.5332 7.9362 110.8051 58.3025 63.5291 173.3162 68 S 4.4230 7.6423 114.3471 58.1903 65.1306 173.6231 69 A 4.3802 8.4299 122.0927 52.8422 19.0531 177.4139 70 E 4.3559 7.9863 117.1562 56.3374 30.5765 176.0245 71 E 5.6464 8.9306 121.9876 54.0078 33.7459 175.5621 72 F 4.6077 7.6294 115.6425 56.4546 42.1664 172.3568 *74 L 4.6833 8.5087 116.4637 55.4499 43.6265 175.9349 75 T 4.9343 8.6944 120.1404 61.8174 70.5147 173.5175 76 L 4.6576 8.4518 129.9110 54.7726 42.6824 176.2708 77 V 4.5722 8.6762 118.7933 59.4237 36.3745 174.9435 78 Y 4.4560 8.3829 119.1542 57.2107 38.7605 175.3878 79 P 4.2395 0.0000 0.0000 65.8943 31.5393 178.8158 80 K 4.1243 8.0517 115.3626 58.3323 32.2278 177.1463 81 D 4.7894 8.0941 117.6107 53.7199 41.2521 177.1447 82 V 3.7268 7.1624 119.5820 61.5834 31.9159 175.8671 83 D 4.8283 8.3083 122.2432 52.5445 41.5542 176.2279 84 T 4.6139 8.3085 107.7861 61.8358 68.9028 174.2327 85 S 4.5455 8.2945 113.3055 58.7641 64.1781 175.0359 86 G 3.9398 8.6097 107.6895 45.3751 0.0000 174.0408 87 E 4.5564 8.3285 118.8962 56.3039 31.5701 175.7757 88 K 5.1010 8.0141 117.3658 54.4836 35.2525 175.7632 89 I 4.5423 8.6098 122.6316 59.1431 41.6318 174.4029 90 S 4.5521 8.5784 123.9486 57.9942 63.2454 174.6484 91 I 3.5326 8.6382 126.8587 63.9534 37.7969 177.3708 92 L 3.1357 7.4375 117.7687 55.1115 41.9245 176.9317 93 A 4.2060 7.5045 122.6012 50.2749 19.3731 175.1622 94 P 4.3381 0.0000 0.0000 64.2850 32.2773 176.1293 95 V 3.7452 8.7271 126.6378 63.9110 31.1586 173.5659 96 G 3.7462 7.9303 105.5816 48.1455 0.0000 175.4178 97 S 4.5928 8.3286 116.6981 60.3384 63.0448 175.8381 98 A 4.2830 7.7221 122.5645 53.8292 18.7338 179.0845 99 L 4.1925 7.7907 118.1174 56.3466 41.6389 177.4075 100 L 4.0529 7.4726 120.4726 56.4786 42.2494 177.2853 101 G 3.9639 8.9750 114.1610 45.5216 0.0000 173.4725 102 L 4.2465 7.6023 119.7995 54.8414 42.3746 175.5490 103 A 5.0253 9.1332 122.1260 49.8326 22.3405 175.3936 104 Q 3.9145 8.4940 120.6584 58.2096 29.1704 177.1697 105 G 4.0638 8.9759 114.0220 45.3792 0.0000 173.7190 106 D 4.6038 8.2898 119.9419 54.5185 41.9293 175.5016 107 E 5.1781 8.5935 120.4891 55.3003 32.0469 175.0041 108 I 4.8441 8.5611 121.0331 60.1724 42.0157 173.1342 109 E 5.0585 8.6682 123.4271 55.0160 32.9212 173.6698 110 W 5.1280 8.2222 116.8676 54.7531 32.2200 171.7648 111 P 4.7791 0.0000 0.0000 62.8494 31.5091 176.1354 112 K 4.3894 8.8609 126.0945 54.5520 33.7416 174.4194 113 P 4.4950 0.0000 0.0000 64.2946 31.6971 176.8543 114 G 3.8680 8.3205 111.1555 44.1280 0.0000 172.8962 115 G 3.9952 8.3642 106.2913 45.0685 0.0000 175.1873 116 G 3.7843 8.9479 107.9314 44.0724 0.0000 171.6772 117 V 4.6497 7.8245 117.2175 60.8046 34.3657 175.4224 118 L 4.1222 8.9284 130.6976 54.4570 43.1479 175.3660 119 R 4.6585 8.3307 126.1937 54.7564 32.0355 175.9766 120 V 4.9617 8.6213 116.9267 59.4094 36.3711 174.5376 121 R 5.0846 8.6656 121.8899 54.4551 33.5240 174.5838 122 I 3.9648 8.9161 127.3704 61.6487 37.3617 176.8576 123 V 4.0860 8.5366 121.1457 62.3983 33.2631 176.0590 124 E 4.6599 7.5390 119.1071 54.7955 33.0777 173.9499 125 V 4.9028 8.2057 124.5986 61.3531 34.6010 174.3417 126 T 4.6930 8.7065 116.4513 60.4933 73.1452 173.6983 127 Y 4.0682 8.4146 117.9940 58.1503 38.1971 175.9725 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 4 K 8.31 4.27 0.00 1.74 1.79 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.48 7.81 5 P 0.00 4.22 0.00 2.17 1.98 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 6 K 8.12 4.56 0.00 1.64 1.73 0.00 1.72 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.43 7.81 7 I 7.97 4.13 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.06 0.97 0.00 0.00 *9 I 8.30 4.30 1.90 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 1.45 1.37 0.94 0.00 0.00 10 S 8.39 5.49 0.00 4.07 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 11 S 8.72 4.11 0.00 3.90 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 12 L 7.85 3.96 0.00 1.76 1.69 0.91 1.27 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 13 D 8.56 4.64 0.00 2.83 2.81 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 14 A 8.30 4.02 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 15 E 8.37 3.85 0.00 2.14 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 2.31 2.32 0.00 16 R 8.32 3.86 0.00 1.96 1.96 0.00 2.79 0.00 0.00 2.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.46 0.00 17 L 8.44 4.15 0.00 1.96 1.79 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.43 3.97 0.00 2.19 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 2.34 2.39 0.00 19 I 7.56 3.99 1.99 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 1.53 1.34 0.91 0.00 0.00 20 L 8.09 4.14 0.00 1.90 1.95 0.96 0.66 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 21 L 8.44 4.16 0.00 1.78 1.96 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.47 3.99 0.00 2.06 2.31 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 2.42 2.34 0.00 23 T 7.40 4.31 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 1.26 0.00 0.00 24 L 7.09 4.22 0.00 1.71 1.76 1.26 1.08 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 25 S 8.79 4.23 0.00 3.96 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 *29 F 8.37 4.68 0.00 3.24 3.16 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 0.00 30 P 0.00 4.11 0.00 2.21 2.25 0.00 3.98 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 31 G 7.99 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 0.00 0.00 0.00 32 R 6.78 3.14 0.00 0.85 1.45 0.00 3.18 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 33 D 7.69 4.29 0.00 2.64 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 34 D 7.89 4.34 0.00 2.80 2.72 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 35 L 8.23 3.97 0.00 1.96 1.91 1.01 1.11 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 36 E 8.56 3.95 0.00 2.18 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 2.36 2.55 0.00 37 A 7.91 3.99 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 38 E 8.22 4.08 0.00 2.25 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 0.00 2.35 2.54 0.00 39 L 8.22 4.01 0.00 1.84 1.75 0.98 1.00 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 40 A 8.29 4.13 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 41 R 7.32 4.43 0.00 1.86 2.00 0.00 3.08 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.54 0.00 42 A 7.52 4.29 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 43 E 9.03 4.26 0.00 1.83 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 2.32 2.26 0.00 44 V 8.25 4.38 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 0.82 0.00 0.00 0.95 0.00 0.00 45 V 8.64 4.67 2.26 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 0.66 0.00 0.00 0.95 0.00 0.00 46 D 9.07 4.75 0.00 2.83 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 47 P 0.00 4.26 0.00 2.15 2.11 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 48 E 8.06 4.15 0.00 2.07 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 2.27 2.33 0.00 49 E 8.12 4.23 0.00 2.14 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 2.32 2.28 0.00 50 I 7.31 4.29 2.01 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 1.32 0.54 0.94 0.00 0.00 51 P 0.00 4.44 0.00 2.18 1.97 0.00 3.60 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 52 P 0.00 4.54 0.00 2.19 2.21 0.00 3.76 0.00 0.00 3.73 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 53 T 7.75 4.13 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 1.19 0.00 0.00 54 V 7.33 4.50 2.22 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 0.74 0.00 0.00 0.93 0.00 0.00 55 V 9.00 3.51 2.17 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 0.96 0.00 0.00 0.88 0.00 0.00 56 T 8.71 4.21 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 1.27 0.00 0.00 *58 N 9.22 4.84 0.00 2.93 3.14 0.00 0.00 6.84 7.57 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 59 S 7.96 4.04 0.00 3.56 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 60 T 8.58 4.89 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 1.19 0.00 0.00 61 V 8.72 4.38 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 -0.06 0.00 0.00 0.83 0.00 0.00 62 R 8.63 4.56 0.00 1.78 1.60 0.00 3.19 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 63 F 9.02 5.15 0.00 1.51 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.70 5.03 0.00 1.77 1.70 0.00 3.08 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 65 V 8.95 4.09 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 0.86 0.00 0.00 1.06 0.00 0.00 66 E 8.94 3.98 0.00 1.98 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 2.32 2.40 0.00 67 S 7.94 4.53 0.00 3.96 3.94 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 68 S 7.64 4.42 0.00 3.99 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 69 A 8.43 4.38 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 70 E 7.99 4.36 0.00 2.03 1.97 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 2.37 2.32 0.00 71 E 8.93 5.65 0.00 1.81 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 2.25 2.31 0.00 72 F 7.63 4.61 0.00 3.20 3.15 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 *74 L 8.51 4.68 0.00 2.03 1.79 0.81 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.69 4.93 4.25 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 1.24 0.00 0.00 76 L 8.45 4.66 0.00 1.62 1.50 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.68 4.57 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 0.79 0.00 0.00 0.97 0.00 0.00 78 Y 8.38 4.46 0.00 3.04 2.84 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 79 P 0.00 4.24 0.00 2.19 2.10 0.00 3.75 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 2.14 2.10 0.00 80 K 8.05 4.12 0.00 1.77 1.88 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 81 D 8.09 4.79 0.00 2.85 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.16 3.73 2.06 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 0.74 0.00 0.00 0.90 0.00 0.00 83 D 8.31 4.83 0.00 2.80 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 84 T 8.31 4.61 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 85 S 8.29 4.55 0.00 3.87 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.61 3.94 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 0.00 0.00 0.00 87 E 8.33 4.56 0.00 2.09 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 2.35 2.34 0.00 88 K 8.01 5.10 0.00 1.84 1.68 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.35 7.81 89 I 8.61 4.54 1.78 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.60 0.87 0.00 0.00 90 S 8.58 4.55 0.00 3.87 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 3.53 1.64 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.99 0.78 0.00 0.00 92 L 7.44 3.14 0.00 1.34 0.90 0.80 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.50 4.21 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 94 P 0.00 4.34 0.00 1.95 1.98 0.00 3.65 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 2.00 2.10 0.00 95 V 8.73 3.75 1.55 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 0.24 0.00 0.00 0.41 0.00 0.00 96 G 7.93 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 0.00 0.00 0.00 97 S 8.33 4.59 0.00 4.24 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 0.00 98 A 7.72 4.28 1.39 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 0.00 0.00 0.00 99 L 7.79 4.19 0.00 1.89 1.79 1.06 0.78 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 0.00 100 L 7.47 4.05 0.00 1.56 1.60 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.98 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 0.00 102 L 7.60 4.25 0.00 1.89 1.65 1.07 0.71 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 0.00 103 A 9.13 5.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.49 3.91 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 105 G 8.98 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 0.00 0.00 0.00 106 D 8.29 4.60 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.59 5.18 0.00 1.85 1.86 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 2.38 2.29 0.00 108 I 8.56 4.84 2.07 0.00 0.00 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 1.75 1.71 1.28 0.00 0.00 109 E 8.67 5.06 0.00 1.92 1.76 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 2.19 2.33 0.00 110 W 8.22 5.13 0.00 3.33 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 0.00 111 P 0.00 4.78 0.00 2.04 2.09 0.00 3.89 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 2.10 2.16 0.00 112 K 8.86 4.39 0.00 1.85 1.83 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.37 7.81 113 P 0.00 4.49 0.00 2.07 1.98 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 114 G 8.32 3.87 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 0.00 0.00 0.00 115 G 8.36 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 0.00 116 G 8.95 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.82 4.65 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 0.86 0.00 0.00 0.92 0.00 0.00 118 L 8.93 4.12 0.00 1.47 0.83 0.81 0.50 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 0.00 119 R 8.33 4.66 0.00 1.72 1.76 0.00 3.08 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 120 V 8.62 4.96 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 0.50 0.00 0.00 0.84 0.00 0.00 121 R 8.67 5.08 0.00 2.00 1.70 0.00 3.07 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 122 I 8.92 3.96 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.64 0.64 0.00 0.00 123 V 8.54 4.09 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 0.60 0.00 0.00 0.86 0.00 0.00 124 E 7.54 4.66 0.00 1.92 1.62 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 0.00 2.21 2.24 0.00 125 V 8.21 4.90 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 0.74 0.00 0.00 0.85 0.00 0.00 126 T 8.71 4.69 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 1.17 0.00 0.00 127 Y 8.41 4.07 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.