NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8123 8.3549 109.7423 45.2662 0.0000 172.6776 *2 I 4.0541 7.8131 126.5085 60.7740 39.2378 175.0252 3 R 4.9341 8.3931 124.0831 54.3128 34.2090 173.9506 4 L 5.2042 8.8158 123.3775 52.7255 45.1249 175.0736 5 L 5.1898 8.9804 125.9243 53.4366 44.9433 174.3607 6 Y 5.0356 9.5905 124.3416 56.2354 40.7754 174.6161 7 L 4.8545 8.7702 124.2241 53.8069 43.0349 175.8308 8 L 4.8145 9.1427 124.8884 52.9080 44.2982 175.5841 9 V 4.6697 8.1437 123.0522 60.4375 34.2248 174.7304 10 K 3.4625 9.0462 129.8436 55.3801 32.3752 174.8175 11 P 4.2204 0.0000 0.0000 62.5415 31.8821 176.0617 12 A 4.0194 8.1955 124.2548 53.6036 18.9993 177.5889 13 G 3.6790 8.4363 107.5674 46.3883 0.0000 173.8407 *15 S 4.2912 7.7168 112.6556 57.6814 65.6733 173.0840 16 D 4.4906 8.4542 121.2710 57.5757 40.5248 178.9776 17 E 4.0163 8.1770 118.5119 59.7572 29.5582 179.2923 18 T 3.9101 8.0362 115.6901 66.5529 68.4519 176.2321 19 F 4.2356 8.3824 122.4781 61.5178 39.4321 177.0693 20 R 3.6882 8.3108 117.9253 59.4424 29.8360 178.3094 21 A 4.0267 8.1401 120.4799 55.1679 18.2545 179.4923 22 E 3.9549 8.6309 117.6267 59.6702 29.4597 179.3457 23 C 4.0955 8.0651 117.0359 62.5930 28.1302 175.8633 24 L 4.0342 8.0009 121.8900 58.2626 41.4960 179.0128 25 R 3.9163 7.9805 117.3619 59.6748 30.0863 177.4584 26 H 4.3603 8.4862 117.4298 59.4942 29.9021 176.2341 27 Y 4.6733 8.3049 120.3014 60.7367 38.8935 179.5362 28 E 3.9467 8.3881 119.1256 56.4023 29.6290 179.0473 *30 S 3.1484 8.1571 115.5840 58.1608 64.8936 175.3990 31 H 4.0759 7.3480 117.3670 58.0457 28.3933 175.6981 32 D 4.5518 7.5889 116.6899 53.8047 40.9280 176.1347 33 V 3.7742 7.2465 121.5396 60.9538 31.9037 173.6776 34 P 4.3195 0.0000 0.0000 63.9075 31.7866 177.3635 35 G 4.1012 9.0282 110.5929 45.2861 0.0000 173.1040 36 L 4.2746 7.3285 121.0242 54.3544 42.3003 175.7025 37 H 4.4625 8.9997 127.7863 59.0733 30.5205 175.2586 38 K 4.5085 7.6609 116.2875 55.5973 35.2951 173.6446 39 Y 5.7161 8.5647 125.5584 56.2325 42.3670 173.7783 40 E 4.8768 8.5715 125.0678 54.5470 33.7268 174.2490 41 V 4.9072 8.1736 124.6906 60.1661 34.4222 174.7807 42 R 4.7619 8.9132 122.4430 54.2466 34.4266 174.7911 43 L 4.7442 8.5175 121.4489 54.4853 43.1332 176.6272 44 V 4.0508 8.3927 122.2477 62.1724 31.2800 175.8241 45 A 4.3270 8.7837 131.5301 54.1155 19.2961 176.4331 46 E 4.7814 7.6449 113.4795 55.6038 32.8897 174.8117 47 Q 4.7394 8.1857 120.8281 53.7095 30.4143 175.0815 48 P 4.7496 0.0000 0.0000 62.3921 31.1127 178.2929 *52 H 4.7406 8.7402 113.5035 54.4591 29.7746 172.8261 53 V 4.3489 7.3852 118.6858 60.6184 34.0634 172.8690 54 P 4.1627 0.0000 0.0000 62.0778 31.8995 175.6108 55 F 4.2104 8.8052 124.7255 57.9185 40.0376 174.2584 56 F 4.7575 7.4985 129.2051 56.3418 39.7230 174.7464 57 D 4.4999 8.5664 129.2260 53.4316 40.7624 174.9858 58 I 4.4038 7.5570 118.9396 58.2459 40.8411 174.9177 59 G 3.8161 8.2018 109.6949 45.2766 0.0000 172.2905 60 H 4.3968 8.5099 118.8622 55.6631 30.4265 174.6884 61 V 4.4115 8.0117 125.0433 61.2495 34.1965 174.4888 62 D 4.8471 9.0795 125.7828 55.5874 43.0249 175.8525 63 A 5.2264 7.7700 117.9209 50.9955 23.5037 175.0056 64 I 5.0808 9.1807 119.5917 59.7090 41.0173 175.2518 65 G 4.5438 9.1988 114.0099 44.4952 0.0000 171.8248 66 E 5.3221 8.9468 123.1832 54.4945 33.5663 173.6984 67 C 5.7398 9.4574 124.0383 57.8748 31.6906 172.8186 68 W 5.1138 9.1404 122.2751 54.8927 31.9768 174.6709 69 F 5.1170 9.0843 122.3273 55.6417 41.3212 175.3602 70 K 4.0963 9.2347 123.4235 59.3670 32.2945 176.6635 71 D 4.6438 7.6961 116.0456 51.5704 43.0204 175.4695 72 D 4.4138 8.7221 118.2929 57.4955 40.6522 178.8302 73 A 4.0009 8.1275 120.5013 55.2122 18.3838 179.3502 74 A 4.0413 8.7051 119.5548 55.5516 18.2549 179.2439 75 Y 3.6351 7.9808 116.8287 60.5448 38.8745 177.7529 76 A 4.0984 8.1467 121.0888 55.4681 18.5859 179.3959 77 T 4.0134 7.7554 113.1026 66.7713 68.6354 176.8636 78 Y 4.7100 8.3388 119.3968 57.8639 38.5470 177.2946 *80 A 4.1788 7.9063 120.3559 50.9562 20.7727 178.0518 81 S 4.3049 7.5200 111.7870 57.7030 63.7537 174.6077 82 D 4.3437 8.6310 128.9044 57.3301 40.6814 178.8601 83 I 3.6925 7.6242 120.1296 64.2450 37.0750 178.1695 84 R 3.8991 8.0223 119.5744 59.3370 29.9802 178.6320 85 K 3.7537 7.9538 118.0191 59.4761 32.1299 179.1723 86 A 4.0956 8.2418 121.0361 54.8353 18.2602 179.5019 87 W 4.2744 8.4451 126.9900 60.7550 30.8102 178.1764 88 F 3.9124 8.8342 118.0890 60.5129 38.3256 177.2618 89 E 3.9873 8.3012 118.6068 59.4172 29.3672 178.3537 90 H 4.5063 8.3200 117.9741 59.3425 30.0194 177.4585 91 G 3.1335 8.0165 107.5285 47.3646 0.0000 175.5179 92 K 3.9230 7.9672 121.3573 59.7074 32.3751 178.8035 93 T 3.7937 7.6192 114.4065 65.6188 68.4723 176.1465 94 F 4.8156 8.1717 117.5983 57.0785 40.3660 176.3134 95 I 4.7186 7.2763 108.9759 59.8348 38.2758 175.5580 96 G 3.9252 8.2335 107.2702 46.8589 0.0000 173.6699 97 Q 4.0487 7.8596 120.9398 56.0053 30.4831 174.3541 98 L 4.7337 8.1623 123.0003 54.9794 42.0969 179.4654 99 K 4.6908 8.8347 125.3759 54.8694 33.9888 173.5520 100 P 4.3962 0.0000 0.0000 61.6411 33.2593 175.0657 101 F 4.4398 9.1735 120.2828 57.0454 40.3120 174.7343 102 R 4.9707 8.6205 123.7960 55.0780 31.1807 175.2811 103 T 4.8101 8.5486 115.9892 59.8909 71.4958 173.4138 104 A 4.7455 8.2092 124.2430 49.3939 22.3255 174.4494 105 P 4.4751 0.0000 0.0000 62.8271 32.0423 177.1542 106 V 3.8323 8.1967 111.7602 62.3166 32.1373 176.3823 107 A 4.2397 8.2394 122.8786 52.0073 19.9691 177.3911 108 G 4.1715 7.9100 108.7724 45.3905 0.0000 175.2091 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 0 G 8.35 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 *2 I 7.81 4.05 2.12 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 1.32 0.74 0.90 0.00 0.00 3 R 8.39 4.93 0.00 1.51 1.34 0.00 2.98 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.40 0.00 4 L 8.82 5.20 0.00 1.79 1.45 1.26 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.98 5.19 0.00 1.58 1.53 0.84 0.75 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 6 Y 9.59 5.04 0.00 2.97 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 7 L 8.77 4.85 0.00 1.63 1.70 1.16 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 8 L 9.14 4.81 0.00 1.84 1.93 1.01 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.14 4.67 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 0.93 0.00 0.00 0.99 0.00 0.00 10 K 9.05 3.46 0.00 0.79 1.31 0.00 2.03 0.00 0.00 1.45 0.00 0.00 2.83 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 1.03 7.81 11 P 0.00 4.22 0.00 2.08 1.93 0.00 3.85 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 12 A 8.20 4.02 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 0.00 0.00 0.00 0.00 0.00 13 G 8.44 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 *15 S 7.72 4.29 0.00 4.12 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 16 D 8.45 4.49 0.00 2.76 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 17 E 8.18 4.02 0.00 2.02 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 2.43 2.37 0.00 18 T 8.04 3.91 4.46 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 1.30 0.00 0.00 19 F 8.38 4.24 0.00 3.22 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.31 3.69 0.00 1.98 2.08 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 21 A 8.14 4.03 1.38 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 0.00 0.00 0.00 22 E 8.63 3.95 0.00 2.06 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 2.64 2.64 0.00 23 C 8.07 4.10 0.00 2.92 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 24 L 8.00 4.03 0.00 1.79 1.87 1.02 0.75 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 25 R 7.98 3.92 0.00 1.91 2.10 0.00 3.51 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 26 H 8.49 4.36 0.00 3.43 3.66 0.00 6.01 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.30 4.67 0.00 3.20 3.35 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 28 E 8.39 3.95 0.00 2.21 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 2.45 2.73 0.00 *30 S 8.16 3.15 0.00 3.46 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 31 H 7.35 4.08 0.00 2.97 3.26 0.00 5.64 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 32 D 7.59 4.55 0.00 2.51 2.60 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 0.00 0.00 0.00 33 V 7.25 3.77 1.70 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 0.94 0.00 0.00 0.11 0.00 0.00 34 P 0.00 4.32 0.00 2.23 1.96 0.00 3.61 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 35 G 9.03 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 36 L 7.33 4.27 0.00 1.84 1.75 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 37 H 9.00 4.46 0.00 3.22 3.44 0.00 6.04 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 38 K 7.66 4.51 0.00 1.47 1.22 0.00 0.98 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.83 1.06 7.81 39 Y 8.56 5.72 0.00 3.09 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 40 E 8.57 4.88 0.00 2.17 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 0.00 2.19 2.19 0.00 41 V 8.17 4.91 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 1.03 0.00 0.00 1.03 0.00 0.00 42 R 8.91 4.76 0.00 1.75 1.80 0.00 3.12 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 43 L 8.52 4.74 0.00 1.58 1.68 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.39 4.05 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 0.78 0.00 0.00 0.96 0.00 0.00 45 A 8.78 4.33 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 46 E 7.64 4.78 0.00 1.91 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 2.22 2.35 0.00 47 Q 8.19 4.74 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 48 P 0.00 4.75 0.00 2.25 1.66 0.00 3.86 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 2.05 2.00 0.00 *52 H 8.74 4.74 0.00 3.34 3.47 0.00 5.47 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.39 4.35 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 0.83 0.00 0.00 0.77 0.00 0.00 54 P 0.00 4.16 0.00 2.11 2.04 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 55 F 8.81 4.21 0.00 3.00 3.02 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 56 F 7.50 4.76 0.00 2.70 2.69 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 0.00 0.00 0.00 0.00 57 D 8.57 4.50 0.00 2.76 2.57 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 0.00 0.00 0.00 0.00 58 I 7.56 4.40 1.68 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.73 -0.13 0.00 0.00 59 G 8.20 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 60 H 8.51 4.40 0.00 3.09 3.20 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.01 4.41 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 0.96 0.00 0.00 0.93 0.00 0.00 62 D 9.08 4.85 0.00 2.52 2.54 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 0.00 0.00 0.00 0.00 63 A 7.77 5.23 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 64 I 9.18 5.08 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 1.23 0.81 1.01 0.00 0.00 65 G 9.20 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.95 5.32 0.00 1.88 1.66 0.00 0.00 0.00 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 1.99 0.00 67 C 9.46 5.74 0.00 3.12 2.57 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 0.00 0.00 0.00 0.00 68 W 9.14 5.11 0.00 3.13 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 69 F 9.08 5.12 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.23 4.10 0.00 1.82 1.92 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.43 7.81 71 D 7.70 4.64 0.00 2.94 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 72 D 8.72 4.41 0.00 2.74 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 73 A 8.13 4.00 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 74 A 8.71 4.04 1.56 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 0.00 0.00 75 Y 7.98 3.64 0.00 2.69 3.08 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 76 A 8.15 4.10 1.40 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 77 T 7.76 4.01 4.45 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 1.24 0.00 0.00 78 Y 8.34 4.71 0.00 3.19 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 *80 A 7.91 4.18 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 81 S 7.52 4.30 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 82 D 8.63 4.34 0.00 2.70 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 83 I 7.62 3.69 1.81 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 1.49 0.68 0.88 0.00 0.00 84 R 8.02 3.90 0.00 1.57 1.78 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 85 K 7.95 3.75 0.00 1.95 1.80 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.43 7.81 86 A 8.24 4.10 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 87 W 8.45 4.27 0.00 3.43 3.51 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 88 F 8.83 3.91 0.00 3.15 3.07 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 0.00 0.00 0.00 89 E 8.30 3.99 0.00 2.18 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 0.00 2.37 2.46 0.00 90 H 8.32 4.51 0.00 3.38 3.55 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 8.02 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 0.00 0.00 0.00 92 K 7.97 3.92 0.00 1.87 1.75 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.28 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.44 7.81 93 T 7.62 3.79 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 0.29 0.00 0.00 94 F 8.17 4.82 0.00 2.87 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 95 I 7.28 4.72 1.80 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.54 0.80 0.00 0.00 96 G 8.23 3.93 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 0.00 0.00 0.00 97 Q 7.86 4.05 0.00 1.62 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.96 6.65 0.00 0.00 0.00 0.00 0.00 1.97 1.63 0.00 98 L 8.16 4.73 0.00 1.64 0.58 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.83 4.69 0.00 1.64 1.65 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.32 7.81 100 P 0.00 4.40 0.00 1.56 0.49 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 101 F 9.17 4.44 0.00 2.83 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 0.00 102 R 8.62 4.97 0.00 1.77 1.79 0.00 3.08 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 103 T 8.55 4.81 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 1.13 0.00 0.00 104 A 8.21 4.75 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 0.00 105 P 0.00 4.48 0.00 2.19 2.07 0.00 3.75 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 1.98 1.99 0.00 106 V 8.20 3.83 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 0.68 0.00 0.00 0.92 0.00 0.00 107 A 8.24 4.24 1.23 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 0.00 0.00 0.00 108 G 7.91 4.17 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 0.00 * Residues marked with a * may have inaccurate shift predictions.