NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1153 7.9133 120.6175 62.9382 33.5071 173.7889 3 Y 4.6527 8.9671 126.6258 56.1780 39.6523 173.2997 4 M 4.4164 8.9419 126.1868 54.4160 34.2294 175.4792 5 V 4.3814 8.0642 124.0370 61.2758 34.2172 173.9919 6 Y 5.2217 8.9379 128.2102 56.8561 39.0963 175.4606 7 V 4.9043 8.6084 123.4746 59.8301 35.7151 174.9467 8 S 4.9802 8.5185 117.1089 57.6176 64.3838 173.8123 9 Q 3.8281 8.8162 124.9439 58.0970 29.0527 177.0567 10 D 4.6347 8.5473 121.8865 54.7031 39.7680 175.4267 11 R 3.9672 7.8850 118.4302 58.4568 30.1926 176.9427 12 L 4.4380 7.5394 117.9250 53.0345 42.6925 177.1040 13 T 4.0708 8.1596 114.5575 60.6854 70.8454 173.1904 14 P 4.1626 0.0000 0.0000 65.9519 31.2122 179.0379 15 S 4.1040 8.0092 112.0735 61.4471 62.9662 176.2695 16 A 3.9461 8.0279 124.4716 54.5641 18.0061 179.6162 17 K 3.3640 8.2461 117.4945 59.7800 32.0063 178.8912 18 H 4.0772 8.2315 118.0526 59.2335 29.6906 177.0829 19 A 3.9944 8.1801 122.6726 55.1988 18.2307 179.8369 20 V 3.5470 8.4581 116.8937 66.0595 31.5695 178.0321 21 A 3.9711 8.5188 120.8518 55.0502 18.2309 179.5193 22 K 3.7657 8.3863 118.2097 59.4651 32.2632 178.8088 23 A 3.9510 8.1664 121.2008 55.2902 18.3354 179.7837 24 I 3.4243 7.7339 118.1308 64.6273 37.0724 178.7423 25 T 3.7568 7.9148 116.7425 66.9077 68.2807 176.4580 26 D 4.2787 8.5555 120.7708 57.0541 40.5310 178.6962 27 A 3.9374 7.6619 120.5995 55.4154 18.5827 178.8434 28 H 4.1091 8.1172 116.5466 59.5494 29.8906 177.6311 29 R 3.9614 7.7033 121.5846 58.6576 29.6695 179.3559 30 G 3.7155 8.3700 104.6635 46.6202 0.0000 174.1759 31 L 4.6494 7.3175 118.8714 54.3154 42.4962 175.5864 32 T 4.7157 7.7052 109.1447 59.8384 72.5383 172.8604 33 G 4.3381 8.0371 110.5598 44.9086 0.0000 174.4594 34 T 4.1554 8.4801 109.5235 63.6636 69.3016 175.8134 35 Q 4.0945 8.0699 120.9337 58.8211 28.9977 176.5415 36 H 4.1868 7.9727 117.5427 56.5713 29.8267 173.3281 37 F 4.7142 7.9494 127.2803 58.3237 41.0235 174.7721 38 L 3.9088 7.0044 119.8278 53.6590 44.8683 174.1167 39 A 4.5609 8.3932 128.9140 50.6601 20.6691 175.6199 40 Q 4.4904 8.4428 124.3148 54.6700 31.1259 174.2023 41 V 4.6721 8.3037 125.7063 61.0439 34.0577 174.0711 42 N 4.7835 8.8947 126.8797 51.5770 41.0913 172.9038 43 F 4.6430 8.6950 125.3232 57.2880 40.3234 175.4845 44 Q 4.5382 9.3290 122.9019 54.3432 30.8496 174.0670 45 E 5.7054 8.6492 123.2578 54.4624 31.4398 175.8073 46 Q 4.8299 8.4330 120.8654 53.0390 33.7973 172.6408 47 P 4.6154 0.0000 0.0000 62.7006 32.3908 175.6328 48 A 3.8641 8.6123 125.1225 54.4152 18.5963 177.8649 49 G 3.8997 8.9030 109.5595 45.1917 0.0000 173.8243 50 N 4.7128 7.5732 115.7923 53.4786 39.2174 174.9240 51 V 4.3174 7.3621 119.3745 60.8346 33.2233 174.1101 52 F 5.0769 8.7430 125.0813 55.4747 41.7544 174.4066 53 L 4.6283 8.6839 125.0805 53.8207 43.6516 176.9475 54 G 4.1163 9.9645 112.7240 46.5752 0.0000 174.2348 55 G 3.9491 8.6374 106.2771 44.9078 0.0000 174.0553 56 V 4.2626 7.7084 120.7617 60.5815 32.6832 174.8498 57 Q 3.2113 8.5426 128.7211 56.0727 29.2287 175.5944 58 Q 4.4021 8.4382 124.7060 54.6462 30.3177 176.7134 59 G 3.7470 8.3109 107.5160 45.6771 0.0000 174.1784 60 G 3.9702 8.0451 106.1665 45.2267 0.0000 174.5173 61 D 4.4958 7.9282 119.0492 55.6166 41.4499 176.8775 62 T 4.3862 7.7453 109.5773 62.1088 69.5433 173.7262 63 I 4.9227 9.1033 124.5397 59.6335 41.1999 173.8593 64 F 5.4990 9.1748 129.5253 56.5978 41.6566 174.1679 65 V 4.4393 9.1043 127.2804 61.6706 33.2402 174.0847 66 H 5.0003 8.9148 130.3752 54.6443 30.9586 173.3868 67 G 3.8601 9.3524 114.9120 44.9937 0.0000 171.0671 68 L 5.0505 8.4359 126.3437 53.5906 42.8375 175.7114 69 H 5.1514 9.0851 121.5923 53.3310 32.6062 174.0203 70 R 4.6025 8.4259 116.6629 56.0666 30.2587 176.2275 71 E 4.1209 8.7124 120.6957 57.2020 29.7589 176.6062 72 G 3.9774 9.0319 109.5679 46.1627 0.0000 175.1733 73 R 4.1571 7.7965 118.5557 55.5491 31.0002 177.1128 74 S 4.3696 8.3941 115.6862 58.0238 65.1312 175.1608 75 A 4.0176 8.5599 124.8396 55.5713 18.1355 179.6702 76 D 4.2562 8.0421 115.9280 57.2836 41.3323 178.0930 77 L 3.9593 8.0397 120.7830 58.2314 42.0927 178.9961 78 K 4.2247 8.3650 118.6495 59.4731 31.9735 179.5005 79 G 3.6721 8.5212 106.2111 48.0242 0.0000 175.7177 80 Q 4.0581 8.2338 120.8228 58.4642 28.6533 178.8257 81 L 3.9972 8.3319 121.2001 58.1084 42.1640 178.7544 82 A 4.1345 8.6556 121.0865 55.4008 18.2266 179.5094 83 Q 3.9452 8.2587 116.4804 59.2464 28.7394 179.2531 84 R 3.8933 8.2474 119.6445 59.3650 30.0315 178.5256 85 I 3.6819 8.0448 119.7776 64.3386 37.1636 178.4565 86 V 3.6152 7.9897 118.9888 66.1600 30.9788 177.6387 87 D 4.3804 8.2827 118.6377 57.7676 40.7617 178.6940 88 D 4.4861 8.4478 119.3808 56.9875 40.8617 179.1059 89 V 3.6457 8.2325 119.4276 65.7003 31.5060 177.7630 90 S 4.1841 8.1894 113.1506 61.5728 62.0733 176.6074 91 V 3.5607 7.5026 119.0657 66.0740 31.1448 177.9360 92 A 3.9353 7.9471 120.0294 54.7268 18.3013 177.9492 93 A 4.3726 8.3793 116.2537 51.4104 19.7146 176.5108 94 E 3.8568 7.7360 114.7494 57.3892 27.5334 174.4040 95 I 4.7602 7.6909 109.2297 58.6143 41.3597 175.3332 96 D 4.5465 8.5817 121.4370 54.3336 41.5550 177.8236 97 R 3.9724 8.8431 122.0050 59.2856 30.2393 179.0477 98 K 4.0028 8.0101 115.5408 59.6537 32.6423 177.2368 99 H 4.6745 8.5582 116.0281 56.6132 29.0574 174.1707 100 I 5.1857 7.8823 121.3746 59.3857 38.9494 175.0645 101 W 4.9258 9.5282 127.0544 54.9093 32.0915 175.1472 102 V 5.0586 8.6709 122.8499 61.6131 33.7765 173.8872 103 Y 5.0025 9.3091 125.6172 56.2846 41.2711 174.5569 104 F 5.6453 8.8867 122.2223 55.8477 41.4755 175.0558 105 G 4.3324 9.3419 111.1833 44.5648 0.0000 172.0459 106 E 5.4337 8.8154 122.5069 54.6750 32.3637 175.2998 107 M 4.9327 8.8846 121.9844 52.5235 36.9798 173.1162 108 P 4.4579 0.0000 0.0000 63.0320 32.2255 177.3954 109 A 4.0367 8.9809 126.6654 55.3465 18.5895 179.6861 110 Q 4.1211 8.1296 114.1304 58.4836 28.8934 176.8261 111 Q 4.4825 7.8293 114.5445 56.0758 28.9136 175.4738 112 M 4.4382 7.7933 119.1499 54.4693 32.7317 175.2392 113 V 4.2123 8.2199 123.8746 60.9771 32.7355 174.7655 114 E 4.7175 8.5748 126.5956 55.9754 31.6810 175.4157 115 Y 4.0569 9.8531 123.7551 58.6184 37.9686 169.7361 116 G 3.6297 8.2425 99.3379 45.7521 0.0000 173.6533 117 R 4.3911 7.5114 124.3558 56.6862 31.2015 178.2839 *118 F 4.3353 8.5117 120.1828 57.8056 38.3023 172.4189 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 2 V 7.91 4.12 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 0.87 0.00 0.00 0.89 0.00 0.00 3 Y 8.97 4.65 0.00 2.92 2.76 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 0.00 0.00 0.00 4 M 8.94 4.42 0.00 1.54 1.93 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 5 V 8.06 4.38 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 0.99 0.00 0.00 0.64 0.00 0.00 6 Y 8.94 5.22 0.00 3.09 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 7 V 8.61 4.90 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 0.85 0.00 0.00 0.98 0.00 0.00 8 S 8.52 4.98 0.00 3.95 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 9 Q 8.82 3.83 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 5.84 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 10 D 8.55 4.63 0.00 2.92 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 11 R 7.89 3.97 0.00 1.92 1.98 0.00 3.46 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 12 L 7.54 4.44 0.00 1.42 1.43 0.78 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.16 4.07 4.20 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 1.18 0.00 0.00 14 P 0.00 4.16 0.00 2.14 2.12 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 15 S 8.01 4.10 0.00 4.03 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 16 A 8.03 3.95 1.29 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 17 K 8.25 3.36 0.00 1.72 1.38 0.00 1.41 0.00 0.00 1.00 0.00 0.00 2.57 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.57 1.27 7.81 18 H 8.23 4.08 0.00 3.20 3.44 0.00 5.59 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 19 A 8.18 3.99 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 20 V 8.46 3.55 2.32 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 1.19 0.00 0.00 1.04 0.00 0.00 21 A 8.52 3.97 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 3.77 0.00 1.76 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.46 7.81 23 A 8.17 3.95 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 24 I 7.73 3.42 1.60 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 1.30 0.85 -0.06 0.00 0.00 25 T 7.91 3.76 4.19 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 1.16 0.00 0.00 26 D 8.56 4.28 0.00 2.69 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 27 A 7.66 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.12 4.11 0.00 3.28 3.41 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 29 R 7.70 3.96 0.00 1.96 1.90 0.00 3.16 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 30 G 8.37 3.72 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 0.00 0.00 0.00 31 L 7.32 4.65 0.00 1.50 1.62 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.71 4.72 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 1.06 0.00 0.00 33 G 8.04 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.48 4.16 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 1.22 0.00 0.00 35 Q 8.07 4.09 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 36 H 7.97 4.19 0.00 3.14 3.42 0.00 5.92 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 37 F 7.95 4.71 0.00 2.85 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 38 L 7.00 3.91 0.00 0.27 0.91 0.28 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.39 4.56 1.27 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 0.00 0.00 40 Q 8.44 4.49 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 41 V 8.30 4.67 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 0.16 0.00 0.00 0.80 0.00 0.00 42 N 8.89 4.78 0.00 2.77 2.50 0.00 0.00 6.80 7.25 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 43 F 8.69 4.64 0.00 2.98 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 44 Q 9.33 4.54 0.00 1.66 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 45 E 8.65 5.71 0.00 1.88 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 0.00 2.27 2.22 0.00 46 Q 8.43 4.83 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.07 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 47 P 0.00 4.62 0.00 2.12 2.19 0.00 3.75 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 2.10 2.00 0.00 48 A 8.61 3.86 1.29 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 49 G 8.90 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 0.00 0.00 0.00 50 N 7.57 4.71 0.00 2.83 2.91 0.00 0.00 6.74 7.56 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 51 V 7.36 4.32 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 0.86 0.00 0.00 0.86 0.00 0.00 52 F 8.74 5.08 0.00 2.91 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 L 8.68 4.63 0.00 1.70 1.64 1.07 0.32 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 54 G 9.96 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 0.00 0.00 0.00 55 G 8.64 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 56 V 7.71 4.26 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 0.93 0.00 0.00 1.03 0.00 0.00 57 Q 8.54 3.21 0.00 1.58 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.68 0.00 0.00 0.00 0.00 0.00 1.99 1.66 0.00 58 Q 8.44 4.40 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 59 G 8.31 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 60 G 8.05 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 0.00 0.00 0.00 61 D 7.93 4.50 0.00 2.42 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 0.00 0.00 0.00 62 T 7.75 4.39 4.19 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 1.22 0.00 0.00 63 I 9.10 4.92 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.93 1.03 0.00 0.00 64 F 9.17 5.50 0.00 2.87 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 65 V 9.10 4.44 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 1.14 0.00 0.00 0.97 0.00 0.00 66 H 8.91 5.00 0.00 2.67 3.14 0.00 5.64 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 67 G 9.35 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 68 L 8.44 5.05 0.00 1.38 1.51 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 69 H 9.09 5.15 0.00 3.02 3.03 0.00 5.63 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.43 4.60 0.00 1.81 1.93 0.00 3.03 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 71 E 8.71 4.12 0.00 1.87 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 2.36 2.41 0.00 72 G 9.03 3.98 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 0.00 0.00 0.00 73 R 7.80 4.16 0.00 1.81 1.86 0.00 3.08 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 74 S 8.39 4.37 0.00 4.06 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 75 A 8.56 4.02 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 76 D 8.04 4.26 0.00 2.81 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 77 L 8.04 3.96 0.00 1.82 1.81 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.37 4.22 0.00 2.12 2.21 0.00 1.94 0.00 0.00 1.85 0.00 0.00 3.25 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.67 7.81 79 G 8.52 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.23 4.06 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 81 L 8.33 4.00 0.00 1.92 2.08 0.96 0.71 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 82 A 8.66 4.13 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 83 Q 8.26 3.95 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 84 R 8.25 3.89 0.00 1.90 2.08 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 85 I 8.04 3.68 2.13 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.95 0.00 0.00 86 V 7.99 3.62 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 1.06 0.00 0.00 1.03 0.00 0.00 87 D 8.28 4.38 0.00 2.87 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 88 D 8.45 4.49 0.00 2.73 2.70 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 0.00 0.00 0.00 0.00 89 V 8.23 3.65 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 1.12 0.00 0.00 0.95 0.00 0.00 90 S 8.19 4.18 0.00 4.05 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 91 V 7.50 3.56 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 0.96 0.00 0.00 0.99 0.00 0.00 92 A 7.95 3.94 1.33 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 0.00 0.00 93 A 8.38 4.37 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.74 3.86 0.00 2.08 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 2.26 2.23 0.00 95 I 7.69 4.76 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 1.34 0.73 1.00 0.00 0.00 96 D 8.58 4.55 0.00 2.79 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 97 R 8.84 3.97 0.00 1.88 2.01 0.00 3.14 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 98 K 8.01 4.00 0.00 1.82 1.92 0.00 1.51 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.28 7.81 99 H 8.56 4.67 0.00 3.45 3.57 0.00 5.58 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.88 5.19 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 1.04 0.00 0.00 101 W 9.53 4.93 0.00 3.33 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 0.00 102 V 8.67 5.06 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 0.70 0.00 0.00 1.03 0.00 0.00 103 Y 9.31 5.00 0.00 3.22 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 0.00 104 F 8.89 5.65 0.00 2.95 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 0.00 105 G 9.34 4.33 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 0.00 0.00 0.00 106 E 8.82 5.43 0.00 1.86 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 2.25 2.37 0.00 107 M 8.88 4.93 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 108 P 0.00 4.46 0.00 2.07 2.00 0.00 3.77 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 2.12 2.12 0.00 109 A 8.98 4.04 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 0.00 110 Q 8.13 4.12 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.47 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 111 Q 7.83 4.48 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 112 M 7.79 4.44 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 113 V 8.22 4.21 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 0.85 0.00 0.00 0.88 0.00 0.00 114 E 8.57 4.72 0.00 2.22 2.12 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 2.44 2.39 0.00 115 Y 9.85 4.06 0.00 3.14 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 0.00 116 G 8.24 3.63 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 0.00 0.00 0.00 117 R 7.51 4.39 0.00 1.87 1.75 0.00 2.85 0.00 0.00 4.01 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 *118 F 8.51 4.34 0.00 2.28 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.