NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.6728 8.3493 120.3146 53.7654 41.1855 174.8628 10 T 4.5233 7.7793 104.2736 57.1385 68.6251 171.6838 11 P 4.2862 0.0000 0.0000 66.8223 32.7118 179.5077 12 Y 4.1707 7.8567 116.0095 60.9525 37.8180 178.3465 13 S 4.1813 8.3057 115.5581 61.9469 62.9656 176.0274 14 Y 4.0573 8.1781 121.9335 60.7068 38.4289 178.2733 15 L 3.8566 8.0602 119.7771 57.7950 41.8152 179.4408 16 I 3.6860 7.9602 119.8974 64.4164 36.8238 178.5460 17 R 3.8440 7.9915 118.6352 59.2761 29.9869 178.1914 18 S 4.0061 7.8442 112.2687 61.3017 62.6225 175.8204 19 I 3.9573 7.9585 122.9223 64.2824 36.8342 179.0509 20 G 3.8007 7.7776 103.0944 45.9652 0.0000 174.9677 *22 K 4.2617 7.9845 122.0397 56.1622 34.4380 178.3121 23 L 3.9565 8.1395 118.7467 57.6139 41.4289 179.4864 24 K 3.9753 8.1598 119.5011 59.8223 32.1942 178.8614 25 T 3.8283 7.8703 115.5146 66.6486 68.4040 176.2854 26 S 3.9877 8.1696 114.5947 61.3175 62.4595 175.8966 27 A 3.6528 7.8775 123.3285 55.3276 18.0066 179.3467 28 D 4.3229 8.2817 117.1633 57.4692 40.7329 178.9426 29 A 3.9707 8.1127 121.2960 55.2033 18.5069 179.9550 30 R 3.8820 8.0194 116.6583 59.0710 30.1222 179.2303 31 L 4.0731 8.3322 119.1806 57.7418 41.5659 179.1955 32 A 4.0404 8.2075 120.8312 55.4468 18.0518 179.5326 33 E 3.9263 7.8195 115.9058 59.1012 29.5720 178.6042 34 L 4.4748 7.3500 115.4784 53.8283 41.9208 176.9386 35 G 4.0189 8.1497 106.9951 46.4052 0.0000 173.6758 36 L 5.0067 7.9266 118.1279 52.4286 44.6653 176.2545 37 N 5.0020 8.7433 119.1031 51.0448 41.0121 175.9110 38 S 4.4570 8.5675 113.6057 61.8827 62.1403 175.8624 39 Q 3.8325 8.0531 118.8680 59.0960 28.5716 178.4242 40 Q 4.1520 8.4531 118.2333 58.8080 29.0434 178.7571 41 G 2.9204 7.9705 106.7944 47.2218 0.0000 176.8025 42 R 3.9914 7.5555 119.5108 56.0871 30.0525 178.7580 *44 I 4.1043 7.9019 114.8335 60.9056 39.8333 177.8432 45 G 3.6768 8.0801 107.8109 47.7580 0.0000 175.1067 46 Y 4.0336 8.1819 121.1146 60.3960 39.2851 177.7300 47 I 3.6963 7.8490 120.2495 64.4527 37.0926 177.3769 48 Y 4.4308 8.1620 119.3396 61.1709 38.6940 178.1213 49 E 3.9233 8.0720 117.5297 58.1636 29.3983 177.9616 50 N 4.6777 7.3371 114.1968 52.7073 38.9784 176.2805 51 Q 3.8263 7.6828 120.8927 58.7548 28.6178 177.8692 52 E 4.0170 8.0716 120.0106 59.5598 29.6157 179.0025 53 S 4.4177 7.3514 111.6682 59.1851 63.1078 174.7935 54 G 3.8483 7.2716 110.3061 45.9465 0.0000 172.6561 55 I 4.4420 7.9780 126.5092 59.1420 39.1190 175.6828 56 I 4.8176 8.2475 125.7602 59.3379 39.7230 176.4494 57 Q 3.9906 8.7081 122.3182 59.4151 28.6447 178.3147 58 K 3.8320 8.1855 120.0164 59.9239 32.0855 177.7857 59 D 4.4655 7.8327 118.8128 57.7283 40.7270 179.1299 60 L 4.1126 8.0501 118.4348 57.7469 41.7379 179.1965 61 A 4.2318 8.4438 120.6564 54.0584 18.0396 178.5493 62 Q 4.4487 7.4329 112.2530 55.9988 30.5351 176.8551 63 F 3.9529 8.2037 120.7530 60.3314 39.3019 175.5276 64 F 4.5604 7.7237 116.5449 56.2555 40.0280 175.3498 65 G 3.6778 7.2028 108.8564 46.0514 0.0000 172.8982 *69 A 4.2518 7.1954 122.8030 52.4530 20.2657 177.6583 70 S 4.4125 8.5029 107.5387 60.2119 63.6208 176.2462 71 I 3.7673 7.8586 122.2195 65.0584 37.2946 177.2757 72 T 4.0601 8.0123 116.6804 66.8717 68.5079 178.3210 73 S 4.4922 7.5331 113.9111 58.4790 62.4411 176.1784 *75 L 4.3022 8.0925 122.6458 55.9901 43.6549 179.3327 76 Q 4.0830 8.4782 117.8086 58.9599 28.7182 179.1351 77 G 3.6137 8.1457 106.6551 47.8761 0.0000 175.7791 78 L 4.0714 7.8483 120.9562 57.3108 41.6994 179.0844 79 E 4.1589 8.4727 121.0796 58.4488 29.3869 178.3853 80 K 3.7740 8.2948 118.9756 59.7677 32.3223 178.3949 81 K 3.9604 7.4625 115.1089 56.9586 31.8259 178.0344 82 G 3.9088 7.7206 107.4589 45.9178 0.0000 174.0626 83 Y 4.9061 7.9766 119.6651 59.6705 38.8815 175.3227 84 I 5.2861 7.7019 110.9821 59.3758 41.8078 173.6393 85 E 4.8587 9.4960 122.8207 54.6256 33.4687 174.0287 86 R 5.3800 8.7134 123.2659 54.4599 32.8810 175.3968 87 R 4.8117 9.1561 119.0520 54.1380 33.5634 174.6631 88 I 4.0917 8.4037 122.0661 61.0452 37.4257 174.1380 89 P 4.3165 0.0000 0.0000 65.8525 32.1202 177.9794 *94 R 4.4110 7.7854 117.1612 54.9400 31.6348 178.3597 95 Q 4.3430 7.8056 114.6769 55.5087 29.6276 175.3222 96 K 4.5595 8.3104 119.4631 56.0111 33.2599 176.4849 97 N 4.7535 8.9084 122.2076 53.2362 39.9967 173.9948 98 I 4.9265 8.1664 123.6040 59.9400 39.2588 174.8750 99 Y 4.9363 9.0090 123.4354 56.1442 42.3377 174.6009 100 V 4.4323 9.4931 123.7025 62.5794 32.5087 175.9746 101 L 4.4888 8.8444 128.1585 53.3814 43.4374 176.1791 102 P 4.2043 0.0000 0.0000 65.7356 31.2042 178.7117 103 K 3.9937 8.2584 118.0512 59.7753 32.0644 178.8828 104 G 3.4443 8.1635 105.0453 47.5307 0.0000 175.3931 105 A 3.4023 8.1759 123.1267 54.5974 18.2436 179.5948 106 A 3.8846 7.7363 119.1153 55.2861 18.3518 179.8967 107 L 3.8478 7.2186 116.1736 57.5011 41.4867 179.6180 108 V 3.5171 7.5827 118.3810 66.2864 31.3130 178.0526 109 E 4.0043 7.9457 117.6105 59.4406 29.2620 179.2176 110 E 3.9678 8.2726 118.7756 59.1130 29.1175 179.2263 111 F 4.1520 8.5535 120.9398 61.4493 39.5600 176.8398 112 N 4.4493 8.6933 116.3810 56.5524 38.2997 176.8444 113 N 4.3158 8.4657 118.4143 56.5926 38.9562 176.8517 114 I 3.4962 7.6071 121.1741 64.5623 37.1964 178.5166 115 F 4.0084 7.4815 117.9539 60.3209 38.6709 177.8531 116 L 4.0524 8.1624 118.8894 57.8160 41.4853 179.3784 117 E 3.9957 8.5305 119.0121 59.0714 29.1340 179.4678 118 V 3.5025 7.6260 117.6884 65.8711 31.7602 177.1039 119 E 4.0799 8.2561 119.0375 59.8261 29.3481 178.8410 120 E 4.0204 8.3043 118.3782 59.3340 29.4875 179.5258 121 S 4.1558 8.0547 114.2273 61.4640 62.6611 176.5113 122 I 3.7349 7.4012 122.8627 63.8275 37.0966 177.3661 123 T 4.4578 7.5854 107.8778 61.1403 68.8835 176.3557 124 K 3.8190 7.7994 121.8809 60.0696 32.5117 177.8805 125 G 4.0033 8.0048 105.4855 44.8319 0.0000 172.5811 126 L 4.8869 7.7355 120.3113 52.4064 43.7902 177.3566 127 T 4.1011 8.6687 114.0276 61.2272 70.7131 175.3755 128 K 3.8395 8.5700 121.9598 59.9657 32.0390 178.4410 129 D 4.3706 8.0431 118.4017 57.4669 40.8418 178.4302 130 E 4.1276 8.0742 118.6003 59.5448 29.2231 179.4291 131 Q 4.0210 8.1580 117.3110 58.9319 28.8539 178.8082 132 K 4.1405 7.9236 118.3012 59.4789 32.3123 179.1431 133 Q 4.2043 8.2833 118.4589 58.7782 28.5885 179.5161 134 L 4.1874 8.2404 118.3174 55.8930 42.0159 178.3550 *136 S 4.3472 8.0093 113.4668 57.9576 64.2799 175.9222 137 I 3.7415 8.0651 121.1013 64.4133 36.7332 178.4487 138 L 4.0470 8.1203 119.9090 57.6411 41.3833 179.6438 139 I 3.6782 7.6926 119.3271 64.3645 37.2712 178.3693 140 K 3.9459 7.8972 119.0000 59.3813 31.6520 179.6174 141 V 3.5113 7.8843 117.6141 66.0963 31.5976 177.2368 142 N 4.4021 8.0838 115.5133 56.7496 38.8289 176.4825 143 R 4.0330 7.9603 119.5313 58.9906 30.2303 176.8441 144 S 4.4144 7.6967 117.5858 58.6378 63.3503 173.7613 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 9 D 8.35 4.67 0.00 2.77 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 10 T 7.78 4.52 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 1.25 0.00 0.00 11 P 0.00 4.29 0.00 2.04 2.24 0.00 3.71 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 1.87 1.94 0.00 12 Y 7.86 4.17 0.00 3.03 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 13 S 8.31 4.18 0.00 4.07 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 14 Y 8.18 4.06 0.00 3.10 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 15 L 8.06 3.86 0.00 1.96 1.72 0.95 0.91 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 16 I 7.96 3.69 1.90 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 1.44 1.02 0.92 0.00 0.00 17 R 7.99 3.84 0.00 1.78 2.01 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 18 S 7.84 4.01 0.00 3.07 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 3.96 1.89 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 1.43 0.49 0.90 0.00 0.00 20 G 7.78 3.80 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 0.00 0.00 0.00 *22 K 7.98 4.26 0.00 1.97 1.88 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.56 7.81 23 L 8.14 3.96 0.00 1.88 1.73 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.16 3.98 0.00 1.85 1.81 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 25 T 7.87 3.83 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 1.20 0.00 0.00 26 S 8.17 3.99 0.00 3.91 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 27 A 7.88 3.65 0.99 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 28 D 8.28 4.32 0.00 2.90 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 29 A 8.11 3.97 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 30 R 8.02 3.88 0.00 1.84 1.87 0.00 2.99 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 31 L 8.33 4.07 0.00 1.83 2.01 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.21 4.04 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 33 E 7.82 3.93 0.00 2.07 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 2.34 2.48 0.00 34 L 7.35 4.47 0.00 1.91 1.73 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.15 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 0.00 0.00 0.00 36 L 7.93 5.01 0.00 1.73 1.66 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.74 5.00 0.00 3.02 2.98 0.00 0.00 6.83 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 38 S 8.57 4.46 0.00 4.08 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 39 Q 8.05 3.83 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 40 Q 8.45 4.15 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 41 G 7.97 2.92 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 0.00 0.00 0.00 42 R 7.56 3.99 0.00 1.92 2.22 0.00 3.34 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 *44 I 7.90 4.10 1.80 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 1.40 1.03 0.92 0.00 0.00 45 G 8.08 3.68 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 0.00 0.00 0.00 46 Y 8.18 4.03 0.00 3.11 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 47 I 7.85 3.70 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.07 0.97 0.00 0.00 48 Y 8.16 4.43 0.00 2.94 3.17 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 49 E 8.07 3.92 0.00 1.84 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 2.49 2.49 0.00 50 N 7.34 4.68 0.00 2.20 2.36 0.00 0.00 6.61 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 51 Q 7.68 3.83 0.00 1.88 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 52 E 8.07 4.02 0.00 1.88 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 2.25 2.26 0.00 53 S 7.35 4.42 0.00 3.99 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 54 G 7.27 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 0.00 0.00 0.00 55 I 7.98 4.44 1.72 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 1.30 0.82 0.93 0.00 0.00 56 I 8.25 4.82 1.87 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 1.18 0.93 0.92 0.00 0.00 57 Q 8.71 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 58 K 8.19 3.83 0.00 1.87 1.83 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.58 7.81 59 D 7.83 4.47 0.00 2.89 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 60 L 8.05 4.11 0.00 1.99 1.95 1.04 1.22 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 61 A 8.44 4.23 1.44 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 0.00 0.00 62 Q 7.43 4.45 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.27 0.00 63 F 8.20 3.95 0.00 2.57 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 0.00 0.00 0.00 0.00 64 F 7.72 4.56 0.00 3.17 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 65 G 7.20 3.68 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 0.00 0.00 0.00 *69 A 7.20 4.25 1.31 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 0.00 0.00 70 S 8.50 4.41 0.00 4.01 4.12 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 71 I 7.86 3.77 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 1.44 0.86 0.97 0.00 0.00 72 T 8.01 4.06 4.37 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 1.22 0.00 0.00 73 S 7.53 4.49 0.00 4.12 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 *75 L 8.09 4.30 0.00 1.94 1.82 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.48 4.08 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 77 G 8.15 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 4.07 0.00 1.90 1.84 0.96 1.03 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 79 E 8.47 4.16 0.00 2.15 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 80 K 8.29 3.77 0.00 1.85 1.96 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.47 7.81 81 K 7.46 3.96 0.00 1.19 0.74 0.00 1.54 0.00 0.00 1.33 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 1.34 7.81 82 G 7.72 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 83 Y 7.98 4.91 0.00 3.03 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 84 I 7.70 5.29 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.97 1.01 0.00 0.00 85 E 9.50 4.86 0.00 2.06 1.85 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 2.23 2.30 0.00 86 R 8.71 5.38 0.00 1.74 1.85 0.00 3.24 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 87 R 9.16 4.81 0.00 1.83 1.98 0.00 2.65 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 88 I 8.40 4.09 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 1.48 0.43 0.93 0.00 0.00 89 P 0.00 4.32 0.00 2.20 2.19 0.00 3.82 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 *94 R 7.79 4.41 0.00 1.88 1.93 0.00 3.26 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 95 Q 7.81 4.34 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 96 K 8.31 4.56 0.00 1.69 1.91 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.49 7.81 97 N 8.91 4.75 0.00 2.87 2.48 0.00 0.00 6.63 7.24 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 98 I 8.17 4.93 1.81 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 1.25 0.55 0.94 0.00 0.00 99 Y 9.01 4.94 0.00 2.85 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 9.49 4.43 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 0.74 0.00 0.00 1.09 0.00 0.00 101 L 8.84 4.49 0.00 1.83 1.63 1.08 1.12 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 0.00 102 P 0.00 4.20 0.00 2.17 2.12 0.00 3.65 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 2.14 2.18 0.00 103 K 8.26 3.99 0.00 1.89 2.10 0.00 1.78 0.00 0.00 2.09 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.80 1.63 7.81 104 G 8.16 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 0.00 0.00 0.00 105 A 8.18 3.40 0.94 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 0.00 106 A 7.74 3.88 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 0.00 107 L 7.22 3.85 0.00 1.34 1.39 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.58 3.52 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 1.14 0.00 0.00 0.77 0.00 0.00 109 E 7.95 4.00 0.00 2.18 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 2.42 0.00 110 E 8.27 3.97 0.00 2.14 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 2.53 2.44 0.00 111 F 8.55 4.15 0.00 3.19 3.28 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 0.00 112 N 8.69 4.45 0.00 3.00 2.96 0.00 0.00 6.73 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 0.00 113 N 8.47 4.32 0.00 2.96 2.96 0.00 0.00 7.25 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 0.00 114 I 7.61 3.50 1.59 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 0.46 0.30 0.00 0.00 115 F 7.48 4.01 0.00 2.96 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 0.00 116 L 8.16 4.05 0.00 1.84 1.73 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.53 4.00 0.00 2.02 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 2.42 2.41 0.00 118 V 7.63 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 0.78 0.00 0.00 0.83 0.00 0.00 119 E 8.26 4.08 0.00 2.24 2.19 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 2.33 2.43 0.00 120 E 8.30 4.02 0.00 2.03 1.99 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 2.55 2.47 0.00 121 S 8.05 4.16 0.00 4.07 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 0.00 122 I 7.40 3.73 2.00 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 1.58 0.67 0.92 0.00 0.00 123 T 7.59 4.46 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 1.22 0.00 0.00 124 K 7.80 3.82 0.00 1.89 2.00 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.40 7.81 125 G 8.00 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 0.00 126 L 7.74 4.89 0.00 1.72 1.58 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.67 4.10 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 0.00 128 K 8.57 3.84 0.00 1.89 1.86 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.61 7.81 129 D 8.04 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 0.00 130 E 8.07 4.13 0.00 2.29 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 2.34 2.36 0.00 131 Q 8.16 4.02 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 132 K 7.92 4.14 0.00 1.89 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.64 7.81 133 Q 8.28 4.20 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.06 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 134 L 8.24 4.19 0.00 1.80 1.77 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *136 S 8.01 4.35 0.00 3.96 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 0.00 137 I 8.07 3.74 1.93 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 1.52 0.57 0.89 0.00 0.00 138 L 8.12 4.05 0.00 1.69 1.72 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.69 3.68 2.04 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 1.64 0.86 0.91 0.00 0.00 140 K 7.90 3.95 0.00 2.00 1.83 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.57 7.81 141 V 7.88 3.51 2.05 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 0.75 0.00 0.00 0.92 0.00 0.00 142 N 8.08 4.40 0.00 2.78 2.86 0.00 0.00 7.27 7.92 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 0.00 143 R 7.96 4.03 0.00 1.96 2.11 0.00 3.30 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 144 S 7.70 4.41 0.00 4.08 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 * Residues marked with a * may have inaccurate shift predictions.