NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.3861 8.3349 115.2872 58.0049 63.5677 173.5077 0 M 3.9201 8.2218 125.7798 54.7609 32.5640 172.7295 *10 E 3.6959 8.5810 120.0720 56.1946 31.5538 175.5512 11 V 4.0178 7.6098 122.1566 61.4417 33.5482 174.6034 12 F 4.8333 8.8392 126.1003 57.1411 39.5707 177.6004 13 Q 3.7845 8.1936 122.7645 59.0234 28.5872 177.4104 14 N 4.9237 7.9322 110.9886 53.0454 38.9905 173.3826 15 H 4.6921 7.4625 119.2364 54.9442 30.5782 175.1039 16 F 4.9120 8.0571 127.2072 57.1666 40.1869 174.7258 17 E 4.4278 7.5540 118.9513 54.5469 30.8546 174.8170 18 P 4.5312 0.0000 0.0000 61.9230 32.3606 176.5587 19 G 3.8403 7.5238 109.7888 45.6797 0.0000 170.3988 20 V 4.7461 6.8665 118.3983 61.2365 35.0930 175.2521 21 Y 4.9265 9.3729 125.7580 57.2019 39.2598 175.4168 22 V 4.7170 8.6803 118.0213 59.1545 35.4422 174.8530 23 C 4.6299 8.9912 123.2841 59.8353 31.5907 174.4648 24 A 4.0761 8.9859 128.9796 54.6493 18.0447 178.5243 25 K 4.1740 8.2777 115.9562 58.2217 32.7048 176.8847 26 C 4.6901 8.0082 109.3290 56.9686 30.9571 174.7406 27 G 3.9499 8.4495 108.6717 45.3456 0.0000 173.2466 28 Y 4.3481 7.6759 121.0195 57.3966 39.4580 174.5923 29 E 4.1561 7.9434 125.9783 56.7322 29.8469 175.1888 30 L 4.0746 8.5712 122.4455 55.5333 44.4042 176.0757 31 F 4.8222 7.9901 116.2800 55.4997 43.1391 174.2229 32 S 4.7168 8.7885 117.7148 57.4086 63.5646 174.8037 33 S 4.6073 9.1009 121.2486 61.7782 62.7296 177.0898 34 R 4.0807 8.2735 119.5414 58.6426 30.0138 177.5210 35 S 4.6840 8.4255 111.0800 58.4899 63.9345 173.7184 36 K 4.7740 7.8926 123.1169 56.5244 32.7334 175.2476 37 Y 5.0961 8.2019 122.6070 55.5016 41.4596 174.0772 38 A 4.5199 8.5483 122.3762 52.0680 19.2924 176.4724 39 H 4.8677 8.4822 120.3887 54.3464 33.2458 173.4151 40 S 4.2354 8.0147 117.3525 59.9867 63.4379 174.7752 41 S 4.4388 7.8624 115.3173 57.0149 63.6473 172.5063 42 P 4.0179 0.0000 0.0000 63.6260 31.0628 176.6522 43 W 4.7450 7.2394 118.0171 53.4258 31.6133 173.8272 44 P 4.1450 0.0000 0.0000 63.3611 31.9463 174.6131 45 A 5.0257 7.7431 123.0597 50.1380 21.8299 175.0142 46 F 5.6277 9.0810 120.2134 56.1961 43.1813 175.6655 47 T 5.1304 9.4338 110.8793 62.2175 69.8519 174.3367 48 E 4.7836 8.3074 117.7944 55.7403 31.9279 174.3861 49 T 4.0796 7.8018 110.1268 60.0284 70.8302 175.3519 50 I 3.6596 7.9388 123.1119 64.2243 37.3552 176.5804 51 H 4.9366 7.6045 116.3558 53.3909 31.0976 175.5320 52 A 4.0258 8.6643 124.6882 54.7862 18.4418 178.3307 53 D 4.9283 7.9706 113.6667 53.3276 40.1289 178.3913 54 S 4.3291 8.1440 119.1173 61.7041 62.9330 174.6907 55 V 5.0357 7.4901 110.3273 59.3887 34.7752 175.0763 56 A 4.8100 9.0408 125.2750 50.4210 21.3114 176.1398 57 K 5.1270 8.5721 119.3875 54.8449 35.4476 175.8135 58 R 4.8543 8.8171 120.9548 53.4781 34.9381 172.9355 59 P 4.3765 0.0000 0.0000 63.3551 32.1801 175.8017 60 E 4.3728 8.2963 122.8909 54.9441 29.5120 176.0726 61 H 4.3004 8.7892 124.6315 58.0370 29.1285 176.4507 62 N 4.8522 7.7165 114.6171 52.6335 38.6379 174.5323 63 R 4.5808 7.7619 118.8378 54.1437 32.9060 175.1548 64 S 4.2698 8.7307 119.7720 59.2504 63.9347 173.0947 65 E 3.8044 8.7997 117.7810 56.7633 26.6771 174.2172 66 A 5.0684 7.6002 117.5342 50.7596 22.9994 176.3485 67 L 4.8277 8.6540 121.4909 52.6442 45.9587 176.0591 68 K 4.5541 8.7484 121.0839 56.0250 33.8060 176.4549 69 V 4.9890 8.6119 116.4119 59.8543 35.5594 174.9276 70 S 5.2188 8.9814 119.2062 56.3517 67.9860 172.8763 71 C 4.4624 9.1735 122.7685 59.7242 31.6377 174.8340 72 G 3.8133 9.1338 113.9282 48.1251 0.0000 174.7470 73 K 4.2010 8.0819 119.0513 57.6890 32.9142 177.0339 74 C 4.5292 7.9716 109.5055 57.1972 30.7994 174.7233 75 G 3.9058 8.2889 108.7229 45.1649 0.0000 173.3096 76 N 4.3992 7.8976 119.3593 53.4192 40.0926 174.2260 77 G 3.9893 8.7774 113.3912 46.7261 0.0000 172.7751 78 L 4.8063 10.5980 123.8412 53.7773 44.5901 175.7566 79 G 3.9129 7.1396 107.7584 45.1306 0.0000 172.9123 80 H 5.0033 8.9187 122.3198 53.5967 33.5018 171.1545 81 E 4.3394 8.6453 122.1752 54.4232 31.6658 174.7735 82 F 5.0545 8.8573 127.3821 55.9512 40.3257 175.4868 83 L 4.1565 8.5425 125.4162 55.1018 42.0727 177.1392 84 N 4.2971 8.9716 119.5682 54.7331 35.9514 174.6352 85 D 4.8794 8.2668 113.9769 53.7966 42.1824 175.8620 86 G 4.0181 8.1486 108.0408 44.3172 0.0000 171.9951 87 P 4.2437 0.0000 0.0000 64.3100 31.7968 176.5256 88 K 4.6281 7.7558 117.2010 53.1562 34.8445 173.6787 89 P 4.4066 0.0000 0.0000 64.4800 31.5380 177.3308 90 G 4.0451 8.9126 110.6023 45.3441 0.0000 173.6470 91 Q 4.3470 7.8653 118.9521 55.8737 29.8254 175.8730 92 S 4.9200 8.6361 117.2943 58.0052 65.4399 173.2827 93 R 4.9904 8.7511 123.0304 54.8672 31.8222 175.1204 94 F 4.8125 9.6805 127.6789 57.0397 40.3390 174.9766 95 S 5.2042 9.1949 120.4824 56.7188 64.0954 172.7025 96 I 4.9629 8.1754 127.9630 59.0490 40.2768 175.8994 97 F 4.6261 8.8973 125.4334 57.8835 39.4103 176.8838 98 S 4.6102 9.5368 120.2425 61.7640 62.9485 176.6613 99 S 4.4705 8.2744 113.3869 60.7325 62.9591 174.9476 100 S 4.5896 8.3902 116.5859 59.1027 63.1193 173.2576 101 L 5.5049 8.0066 120.1065 52.7076 44.9257 175.7811 102 K 4.8584 9.1903 122.8257 54.6857 35.3672 174.4812 103 F 4.6184 9.0794 129.5366 57.1667 40.7088 174.8407 104 V 3.8783 7.8942 127.1816 60.5684 32.7220 172.9402 105 P 4.3446 0.0000 0.0000 61.2644 32.7882 176.2525 106 K 3.9876 8.2964 125.4849 57.9611 32.4686 177.2005 107 G 4.1004 9.4082 114.5783 45.5104 0.0000 173.6977 108 K 4.6428 7.5352 117.3311 56.2427 33.7487 177.2557 109 E 4.2000 8.0991 121.3372 55.3474 27.8098 175.6342 110 T 4.3366 7.4737 112.8915 59.9546 70.7268 175.5769 111 S 4.3168 8.2149 117.6384 57.9167 63.6039 174.5983 112 A 4.1695 8.3728 123.6621 52.6828 18.1190 177.6997 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 8.33 4.39 0.00 3.82 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 M 8.22 3.92 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 *10 E 8.58 3.70 0.00 1.82 1.20 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 2.11 2.25 0.00 11 V 7.61 4.02 1.93 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 0.72 0.00 0.00 0.88 0.00 0.00 12 F 8.84 4.83 0.00 3.08 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 13 Q 8.19 3.78 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 7.32 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 14 N 7.93 4.92 0.00 2.73 2.86 0.00 0.00 6.76 8.16 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 15 H 7.46 4.69 0.00 3.13 3.33 0.00 5.70 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.06 4.91 0.00 2.99 2.95 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 0.00 0.00 0.00 17 E 7.55 4.43 0.00 1.74 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 2.08 2.23 0.00 18 P 0.00 4.53 0.00 2.28 2.26 0.00 3.93 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 19 G 7.52 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 0.00 0.00 0.00 20 V 6.87 4.75 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 0.85 0.00 0.00 0.85 0.00 0.00 21 Y 9.37 4.93 0.00 2.93 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 22 V 8.68 4.72 2.24 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 0.63 0.00 0.00 1.00 0.00 0.00 23 C 8.99 4.63 0.00 3.05 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 24 A 8.99 4.08 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 25 K 8.28 4.17 0.00 1.76 1.86 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 26 C 8.01 4.69 0.00 3.07 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 27 G 8.45 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 7.68 4.35 0.00 2.86 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 29 E 7.94 4.16 0.00 1.45 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 30 L 8.57 4.07 0.00 1.47 0.78 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.99 4.82 0.00 2.15 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 0.00 0.00 0.00 32 S 8.79 4.72 0.00 3.88 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 33 S 9.10 4.61 0.00 4.31 4.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.27 4.08 0.00 1.93 2.13 0.00 3.19 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 35 S 8.43 4.68 0.00 4.26 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 36 K 7.89 4.77 0.00 2.02 2.02 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.18 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.18 0.32 7.81 37 Y 8.20 5.10 0.00 2.99 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 38 A 8.55 4.52 1.12 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 0.00 0.00 39 H 8.48 4.87 0.00 2.72 2.95 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.01 4.24 0.00 3.94 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 41 S 7.86 4.44 0.00 4.21 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 42 P 0.00 4.02 0.00 0.49 1.43 0.00 3.31 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.72 0.00 43 W 7.24 4.75 0.00 3.45 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 44 P 0.00 4.14 0.00 1.71 2.16 0.00 4.04 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 2.33 2.18 0.00 45 A 7.74 5.03 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.08 5.63 0.00 2.66 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 47 T 9.43 5.13 4.38 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 0.00 0.00 0.00 1.23 0.00 0.00 48 E 8.31 4.78 0.00 2.12 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 0.00 2.29 2.33 0.00 49 T 7.80 4.08 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 0.42 0.00 0.00 50 I 7.94 3.66 1.43 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 1.14 0.32 0.42 0.00 0.00 51 H 7.60 4.94 0.00 3.08 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.66 4.03 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 53 D 7.97 4.93 0.00 2.87 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 54 S 8.14 4.33 0.00 3.75 3.64 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 55 V 7.49 5.04 2.20 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 0.58 0.00 0.00 1.02 0.00 0.00 56 A 9.04 4.81 1.21 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 0.00 0.00 57 K 8.57 5.13 0.00 1.62 1.69 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.48 7.81 58 R 8.82 4.85 0.00 1.66 1.72 0.00 3.13 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 59 P 0.00 4.38 0.00 1.66 1.96 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 60 E 8.30 4.37 0.00 2.11 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 2.23 2.32 0.00 61 H 8.79 4.30 0.00 3.22 3.35 0.00 5.73 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 7.72 4.85 0.00 2.57 2.85 0.00 0.00 6.66 7.54 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 63 R 7.76 4.58 0.00 1.71 1.79 0.00 3.34 0.00 0.00 3.55 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 64 S 8.73 4.27 0.00 4.03 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 65 E 8.80 3.80 0.00 2.23 2.24 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 2.32 2.30 0.00 66 A 7.60 5.07 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 67 L 8.65 4.83 0.00 1.44 1.59 0.88 0.97 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 68 K 8.75 4.55 0.00 1.64 1.62 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.36 7.81 69 V 8.61 4.99 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 0.87 0.00 0.00 1.10 0.00 0.00 70 S 8.98 5.22 0.00 3.72 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 71 C 9.17 4.46 0.00 3.01 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 72 G 9.13 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 0.00 0.00 0.00 73 K 8.08 4.20 0.00 1.47 1.58 0.00 1.35 0.00 0.00 1.38 0.00 0.00 2.29 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.31 0.21 7.81 74 C 7.97 4.53 0.00 3.02 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 75 G 8.29 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 76 N 7.90 4.40 0.00 2.89 2.74 0.00 0.00 7.05 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 77 G 8.78 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 78 L 10.60 4.81 0.00 1.83 1.84 1.05 0.79 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 79 G 7.14 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 80 H 8.92 5.00 0.00 2.32 2.14 0.00 5.77 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.65 4.34 0.00 1.57 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.47 0.00 82 F 8.86 5.05 0.00 3.02 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 83 L 8.54 4.16 0.00 1.54 1.60 0.90 0.84 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 84 N 8.97 4.30 0.00 2.93 2.90 0.00 0.00 6.55 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 85 D 8.27 4.88 0.00 2.63 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 86 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 87 P 0.00 4.24 0.00 1.92 1.75 0.00 3.59 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.44 0.00 88 K 7.76 4.63 0.00 1.86 1.69 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.47 7.81 89 P 0.00 4.41 0.00 2.03 2.01 0.00 3.70 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 2.02 2.09 0.00 90 G 8.91 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 91 Q 7.87 4.35 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 92 S 8.64 4.92 0.00 3.70 3.39 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 93 R 8.75 4.99 0.00 2.05 1.99 0.00 2.77 0.00 0.00 3.05 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 94 F 9.68 4.81 0.00 3.13 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 95 S 9.19 5.20 0.00 4.08 3.83 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 96 I 8.18 4.96 1.97 0.00 0.00 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 1.21 0.62 1.11 0.00 0.00 97 F 8.90 4.63 0.00 3.07 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 98 S 9.54 4.61 0.00 4.03 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 99 S 8.27 4.47 0.00 4.00 4.04 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 0.00 100 S 8.39 4.59 0.00 4.30 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 0.00 101 L 8.01 5.50 0.00 2.03 1.80 0.96 0.82 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 0.00 102 K 9.19 4.86 0.00 1.85 1.68 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.55 7.81 103 F 9.08 4.62 0.00 2.46 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 0.00 104 V 7.89 3.88 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 0.79 0.00 0.00 0.78 0.00 0.00 105 P 0.00 4.34 0.00 2.09 2.08 0.00 3.57 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 106 K 8.30 3.99 0.00 1.67 1.72 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.42 7.81 107 G 9.41 4.10 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 0.00 0.00 0.00 108 K 7.54 4.64 0.00 1.72 1.76 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.54 7.81 109 E 8.10 4.20 0.00 1.83 1.83 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 2.22 2.32 0.00 110 T 7.47 4.34 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 S 8.21 4.32 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 0.00 112 A 8.37 4.17 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 * Residues marked with a * may have inaccurate shift predictions.