NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9744 8.1400 114.6863 58.3568 64.7999 175.2288 2 V 3.5872 7.8629 120.2116 65.3492 31.0753 172.9386 3 V 3.5779 8.5003 118.7338 66.1600 31.9385 177.2408 4 E 4.0186 7.9063 117.8113 59.2566 29.2724 178.9838 5 L 4.0721 9.2196 121.3905 57.9700 42.2375 179.1472 6 G 3.6516 8.2396 105.6565 47.8267 0.0000 175.4241 7 K 3.9319 8.1612 121.5602 59.5840 32.1277 178.9401 8 M 4.0220 8.1979 118.5746 58.7517 31.8497 179.1280 9 I 3.6455 7.7227 119.4344 64.4993 37.2795 178.5793 10 I 4.3525 7.6201 121.8505 63.9156 36.6718 178.4401 11 Q 4.0222 7.8914 117.8802 59.2929 28.7259 178.6576 12 E 4.1965 8.4903 118.3569 58.3033 29.6663 178.2457 13 T 4.4747 8.5096 108.2854 60.8095 70.6471 175.5743 14 G 3.8229 8.6392 110.5154 45.3241 0.0000 173.0736 *16 K 4.3660 7.5867 117.9777 55.9520 33.2979 174.9899 17 S 4.5461 8.5013 118.0820 57.6026 63.1443 172.5339 18 P 4.3918 0.0000 0.0000 65.2490 31.3105 175.5968 19 F 4.8994 8.2286 118.9835 55.9727 40.4811 173.0768 20 P 4.2343 0.0000 0.0000 61.4979 31.7768 176.1746 21 S 4.0964 7.7616 116.7001 61.5218 62.3394 174.7526 22 Y 4.9175 8.2202 115.0193 57.6997 38.9609 177.5525 23 T 4.2325 8.0031 110.9446 64.0389 69.5240 175.8780 24 S 4.7977 7.7655 112.1193 57.9149 63.9018 172.6840 25 Y 4.2021 7.7292 122.4829 58.4825 39.6988 175.6560 26 G 3.5470 7.7871 116.2032 46.9533 0.0000 173.6096 27 C 4.4364 9.4421 116.1779 57.4086 42.4391 175.1065 28 F 4.7169 8.6393 116.0263 56.3013 40.7895 174.2408 29 C 4.6219 8.0985 118.1744 59.3728 39.7322 173.6334 30 G 4.2893 8.2008 112.8952 46.1785 0.0000 172.6975 31 G 3.9901 8.1879 106.4519 44.5446 0.0000 171.9451 32 G 4.1634 7.9245 103.1995 44.2962 0.0000 173.3551 33 E 4.9817 8.5848 118.3367 55.3270 31.8569 174.9237 34 R 5.0974 8.0221 119.5286 53.4694 32.5781 174.8065 35 G 4.3951 8.6941 110.1939 45.6862 0.0000 172.9850 36 P 5.1177 0.0000 0.0000 61.0994 32.0537 174.1427 37 P 4.8379 0.0000 0.0000 62.9369 31.8528 177.0389 38 L 4.0257 8.6631 121.4448 57.2563 42.2777 176.2762 39 D 4.5923 7.4553 115.2889 51.5600 41.6707 174.7955 40 A 4.0008 8.8385 119.1190 56.0598 18.1787 179.9856 41 T 3.7747 8.0447 113.8013 66.9618 68.6191 176.1313 42 D 4.5326 8.7693 119.8263 57.3698 41.1214 178.5784 43 R 3.7822 7.9524 118.7593 59.3277 29.9946 178.4335 44 C 3.9309 8.2385 116.7272 63.3605 28.1361 175.8297 45 C 4.2616 7.9835 117.7476 59.7308 38.9578 175.9043 46 L 3.6383 7.6663 121.7053 57.8379 41.5801 178.7233 47 A 3.8619 8.1145 121.1005 55.4568 18.2458 178.7882 48 H 3.8566 8.2333 116.7702 59.6175 29.7966 177.4322 49 S 3.9441 7.9878 116.4581 61.9387 62.5074 176.3085 50 C 4.0023 8.0180 118.1825 63.0437 28.0271 175.7172 51 C 4.2377 8.3482 120.3577 62.8909 31.1649 175.1558 52 Y 4.3562 8.1197 118.4328 61.3619 37.2514 178.2515 53 D 4.5593 8.2881 118.2522 56.1687 40.9467 177.5326 54 T 4.4319 7.7922 109.6669 61.2244 70.4812 174.7184 55 L 4.8524 7.7351 120.6219 53.3533 41.9496 175.1870 56 P 4.2230 0.0000 0.0000 65.3547 32.4173 178.3839 *59 D 4.7959 7.8892 116.7330 53.3146 41.0987 174.3618 *61 C 5.0480 7.4255 116.8147 60.4877 29.7356 173.2400 *67 S 4.8872 7.8648 113.1804 57.7324 62.6966 172.9623 68 P 3.8584 0.0000 0.0000 65.0215 31.8849 178.0246 69 K 4.2704 7.9943 117.1184 58.0731 32.5838 178.2766 70 T 4.2396 7.5956 106.4374 61.8268 69.9872 173.7409 71 D 4.3290 8.0713 121.8788 54.5551 40.9649 175.6521 72 R 4.4676 8.3794 126.3443 55.7668 31.1259 175.3946 73 Y 4.9981 7.6475 117.9548 56.0499 41.2677 173.1484 74 K 5.0455 9.3932 118.8650 55.1571 35.5658 175.2686 75 Y 5.3102 8.0604 118.5891 56.1638 40.8360 173.5224 76 K 4.7442 9.2799 119.6997 54.8827 37.0195 174.9353 77 R 5.0908 8.4788 119.5382 54.8060 32.5672 176.5833 78 E 4.3146 8.9579 124.1935 55.8466 30.6269 174.1035 79 N 4.1868 9.3778 125.7272 54.2317 35.6828 175.5395 80 G 4.0573 8.6823 107.8585 45.2081 0.0000 174.1949 81 E 4.3999 7.7459 119.6159 55.0300 30.8606 174.6016 82 I 4.5892 8.1494 125.5588 60.9792 38.4442 175.1779 83 I 4.4554 9.3605 129.0568 59.6348 39.1254 174.9214 84 C 4.7670 8.7014 125.7005 59.2938 28.9304 173.7460 85 E 4.3387 8.4965 121.4194 55.9752 30.6412 176.2468 86 N 5.0732 8.3453 113.0987 52.9416 40.4986 175.8898 87 S 4.3026 8.1506 116.1676 61.1218 63.3162 174.5636 88 T 4.7051 7.4253 108.5486 59.1811 72.0221 174.2131 89 S 3.8982 8.7071 116.7393 61.8290 62.7206 175.9410 *91 C 4.4414 8.0306 116.1525 59.8594 30.0289 176.0036 92 K 3.9891 7.7790 118.8936 59.5767 31.5560 178.9775 93 K 3.8705 7.7854 118.8189 59.6621 32.1687 178.9822 94 R 3.8613 7.9962 118.1274 59.2922 30.0067 179.1637 95 I 3.6741 8.4997 120.7267 64.4404 37.0600 177.9791 96 C 3.4569 7.6461 121.0686 61.7774 31.2931 175.4219 97 E 3.9132 8.3394 120.4218 59.5063 29.0452 179.2799 98 C 4.1147 8.0194 116.6689 63.0726 28.2954 175.9137 99 D 4.3836 8.1841 120.4458 57.1216 40.4200 178.6640 100 K 3.7395 8.6822 120.3056 59.4594 32.1681 178.6670 101 A 3.9410 7.9070 121.1134 55.1455 18.2730 180.0305 102 V 3.4611 7.6302 117.0382 64.6590 31.3900 178.5305 103 A 3.7700 7.8383 121.4340 54.9795 18.1860 179.8104 104 V 3.5112 7.6197 116.7405 66.0829 31.6487 177.8662 105 C 4.0405 8.1232 118.5379 62.3433 31.2172 175.3999 106 L 3.8583 7.8270 119.7806 57.7164 41.4580 179.2691 107 R 3.9976 7.8690 118.4237 59.4253 29.9209 178.5295 108 K 4.0236 8.1612 117.7850 58.5645 32.3735 177.2871 109 N 5.5279 7.5506 116.0417 52.4144 39.0304 176.3295 110 L 4.1747 7.9913 123.2791 57.5531 41.6437 178.9659 111 N 4.4486 8.3708 116.2499 55.1234 37.3816 176.1499 112 T 4.4387 7.8497 106.8486 61.0020 69.2848 173.2353 113 Y 3.9379 7.9162 123.7120 58.1609 39.2618 174.8319 114 N 4.7108 9.0743 126.3086 51.4542 39.9162 174.9013 115 K 4.0427 8.9303 126.6894 59.6769 32.2347 178.7747 116 K 4.2999 8.1314 115.0024 58.2049 32.9690 176.9615 117 Y 4.6053 7.9381 117.6464 58.6409 38.4902 177.5327 118 T 3.7061 7.2071 117.4454 66.1366 68.4826 172.8257 119 Y 4.6930 7.1729 118.5389 54.8939 38.1649 172.4670 120 Y 4.1100 8.0663 124.2679 54.3428 40.3461 173.4515 121 P 3.8231 0.0000 0.0000 62.5511 31.4842 176.0957 122 N 4.0115 9.0219 123.2275 56.6185 38.6892 176.2771 *124 F 4.9378 7.8497 108.6188 56.1456 39.4000 175.1843 125 W 4.2032 7.8662 120.8681 57.7003 29.3234 175.7086 126 C 4.6672 8.2916 116.8646 55.9408 39.0446 173.1205 127 K 4.4954 8.4431 122.6433 55.7242 32.7088 176.6955 128 G 3.9621 8.1506 107.4661 45.7462 0.0000 173.4828 129 D 4.7754 8.5669 119.7196 54.0303 41.8405 176.7720 130 I 4.0976 8.2196 121.5254 61.1971 37.3761 176.1672 131 E 4.1394 9.4165 128.8274 56.6885 30.1352 176.3207 132 K 4.3337 8.6134 120.6122 56.0200 34.4880 176.3502 133 C 3.9080 8.1040 119.5817 59.9418 27.4601 172.8793 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 S 8.14 4.97 0.00 4.14 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 2 V 7.86 3.59 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 0.94 0.00 0.00 1.00 0.00 0.00 3 V 8.50 3.58 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 1.00 0.00 0.00 0.92 0.00 0.00 4 E 7.91 4.02 0.00 1.86 1.72 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 1.47 2.16 0.00 5 L 9.22 4.07 0.00 1.93 1.98 0.82 1.12 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 6 G 8.24 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 7 K 8.16 3.93 0.00 2.14 2.09 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.63 7.81 8 M 8.20 4.02 0.00 1.92 2.17 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 1.89 0.00 9 I 7.72 3.65 2.01 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 1.36 0.73 0.86 0.00 0.00 10 I 7.62 4.35 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.07 0.99 0.00 0.00 11 Q 7.89 4.02 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 12 E 8.49 4.20 0.00 1.91 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 2.53 2.40 0.00 13 T 8.51 4.47 4.31 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 1.19 0.00 0.00 14 G 8.64 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 0.00 0.00 0.00 *16 K 7.59 4.37 0.00 1.87 1.62 0.00 1.21 0.00 0.00 0.84 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.19 7.81 17 S 8.50 4.55 0.00 3.90 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 18 P 0.00 4.39 0.00 2.35 2.24 0.00 3.72 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 2.21 2.20 0.00 19 F 8.23 4.90 0.00 3.07 3.04 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 20 P 0.00 4.23 0.00 2.25 1.05 0.00 3.36 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 21 S 7.76 4.10 0.00 3.81 3.31 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 22 Y 8.22 4.92 0.00 3.06 2.86 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 23 T 8.00 4.23 4.48 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 1.56 0.00 0.00 24 S 7.77 4.80 0.00 4.08 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 25 Y 7.73 4.20 0.00 3.18 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 26 G 7.79 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 0.00 0.00 0.00 27 C 9.44 4.44 0.00 2.66 2.42 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 28 F 8.64 4.72 0.00 3.09 3.05 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 29 C 8.10 4.62 0.00 3.39 3.44 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 30 G 8.20 4.29 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 0.00 31 G 8.19 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 0.00 0.00 0.00 32 G 7.92 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 0.00 0.00 0.00 0.00 33 E 8.58 4.98 0.00 2.10 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 2.28 2.35 0.00 34 R 8.02 5.10 0.00 1.64 1.92 0.00 3.17 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 35 G 8.69 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 0.00 0.00 0.00 0.00 36 P 0.00 5.12 0.00 2.23 2.13 0.00 3.80 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 2.00 2.00 0.00 37 P 0.00 4.84 0.00 2.08 2.08 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 38 L 8.66 4.03 0.00 1.17 0.98 -1.25 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.46 4.59 0.00 2.95 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 40 A 8.84 4.00 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 41 T 8.04 3.77 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 0.87 0.00 0.00 42 D 8.77 4.53 0.00 3.07 2.85 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 43 R 7.95 3.78 0.00 2.08 1.90 0.00 3.18 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 44 C 8.24 3.93 0.00 2.96 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 45 C 7.98 4.26 0.00 3.20 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 46 L 7.67 3.64 0.00 0.75 1.42 0.31 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.11 3.86 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 48 H 8.23 3.86 0.00 3.18 3.38 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 49 S 7.99 3.94 0.00 4.05 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 50 C 8.02 4.00 0.00 3.05 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 51 C 8.35 4.24 0.00 3.06 3.01 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 52 Y 8.12 4.36 0.00 3.13 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 53 D 8.29 4.56 0.00 2.87 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 54 T 7.79 4.43 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 1.27 0.00 0.00 55 L 7.74 4.85 0.00 1.59 1.57 0.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.22 0.00 2.21 2.31 0.00 3.80 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 *59 D 7.89 4.80 0.00 2.86 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 *61 C 7.43 5.05 0.00 3.03 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 *67 S 7.86 4.89 0.00 3.88 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 68 P 0.00 3.86 0.00 1.08 0.49 0.00 3.47 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 69 K 7.99 4.27 0.00 1.82 1.87 0.00 1.68 0.00 0.00 1.93 0.00 0.00 3.10 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.61 1.46 7.81 70 T 7.60 4.24 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 71 D 8.07 4.33 0.00 2.91 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 72 R 8.38 4.47 0.00 1.84 1.80 0.00 3.63 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.53 0.00 73 Y 7.65 5.00 0.00 3.33 3.09 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 0.00 0.00 0.00 74 K 9.39 5.05 0.00 1.77 1.78 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.34 7.81 75 Y 8.06 5.31 0.00 3.11 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 76 K 9.28 4.74 0.00 1.68 1.71 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.53 7.81 77 R 8.48 5.09 0.00 1.70 1.87 0.00 3.58 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 78 E 8.96 4.31 0.00 1.89 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 0.00 2.23 2.29 0.00 79 N 9.38 4.19 0.00 2.93 2.94 0.00 0.00 7.37 7.65 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 80 G 8.68 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 81 E 7.75 4.40 0.00 2.02 1.82 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 2.34 2.32 0.00 82 I 8.15 4.59 1.84 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 1.25 0.61 0.85 0.00 0.00 83 I 9.36 4.46 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.94 0.00 0.00 84 C 8.70 4.77 0.00 2.90 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 85 E 8.50 4.34 0.00 1.99 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 2.34 0.00 86 N 8.35 5.07 0.00 2.65 2.78 0.00 0.00 6.87 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 87 S 8.15 4.30 0.00 3.99 4.09 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 0.00 0.00 0.00 88 T 7.43 4.71 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 1.23 0.00 0.00 89 S 8.71 3.90 0.00 3.86 3.90 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 *91 C 8.03 4.44 0.00 3.04 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 92 K 7.78 3.99 0.00 1.91 2.04 0.00 1.72 0.00 0.00 1.96 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.75 1.53 7.81 93 K 7.79 3.87 0.00 1.98 2.03 0.00 1.46 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.48 7.81 94 R 8.00 3.86 0.00 1.85 1.93 0.00 3.16 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 95 I 8.50 3.67 1.77 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 1.26 0.61 0.98 0.00 0.00 96 C 7.65 3.46 0.00 1.88 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 97 E 8.34 3.91 0.00 2.12 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 2.47 2.46 0.00 98 C 8.02 4.11 0.00 3.42 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 99 D 8.18 4.38 0.00 2.93 2.78 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 0.00 100 K 8.68 3.74 0.00 1.66 1.95 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.40 7.81 101 A 7.91 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.63 3.46 1.89 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 0.71 0.00 0.00 0.76 0.00 0.00 103 A 7.84 3.77 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 0.00 104 V 7.62 3.51 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 1.04 0.00 0.00 0.91 0.00 0.00 105 C 8.12 4.04 0.00 3.14 2.96 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 0.00 106 L 7.83 3.86 0.00 1.49 1.28 0.12 0.42 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 0.00 107 R 7.87 4.00 0.00 1.99 2.12 0.00 3.09 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 108 K 8.16 4.02 0.00 1.73 2.00 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.52 7.81 109 N 7.55 5.53 0.00 2.90 2.82 0.00 0.00 7.19 6.03 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 0.00 110 L 7.99 4.17 0.00 1.80 1.73 0.96 0.37 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 0.00 111 N 8.37 4.45 0.00 2.89 3.10 0.00 0.00 5.80 7.22 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 0.00 112 T 7.85 4.44 4.29 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 1.24 0.00 0.00 113 Y 7.92 3.94 0.00 2.98 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 0.00 114 N 9.07 4.71 0.00 2.32 2.00 0.00 0.00 6.80 6.63 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 0.00 115 K 8.93 4.04 0.00 1.93 1.92 0.00 1.78 0.00 0.00 2.00 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.63 7.81 116 K 8.13 4.30 0.00 1.91 1.89 0.00 1.58 0.00 0.00 1.61 0.00 0.00 3.26 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.33 1.00 7.81 117 Y 7.94 4.61 0.00 2.06 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 0.00 0.00 0.00 118 T 7.21 3.71 3.41 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 0.35 0.00 0.00 119 Y 7.17 4.69 0.00 2.91 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 0.00 120 Y 8.07 4.11 0.00 2.74 2.86 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 0.00 121 P 0.00 3.82 0.00 0.49 1.25 0.00 2.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.21 0.00 122 N 9.02 4.01 0.00 2.80 2.91 0.00 0.00 6.86 7.71 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 *124 F 7.85 4.94 0.00 3.30 3.13 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 0.00 125 W 7.87 4.20 0.00 2.92 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 0.00 126 C 8.29 4.67 0.00 2.88 3.11 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 0.00 127 K 8.44 4.50 0.00 1.70 1.79 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.42 7.81 128 G 8.15 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 0.00 129 D 8.57 4.78 0.00 2.61 2.65 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 0.00 130 I 8.22 4.10 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 1.03 0.00 0.00 131 E 9.42 4.14 0.00 2.20 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 2.12 2.28 0.00 132 K 8.61 4.33 0.00 1.75 1.81 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.42 7.81 133 C 8.10 3.91 0.00 3.10 3.09 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.