NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3859 8.1227 122.4545 51.8203 20.8458 175.0374 4 V 4.5427 8.3976 119.2820 61.0872 33.6517 173.1016 5 T 4.8126 10.1342 126.4892 61.9423 71.7490 173.0651 6 Q 5.2583 8.6925 122.9277 54.3853 32.3384 175.1861 7 S 4.7355 9.2246 118.9317 56.4700 67.0823 172.8197 8 P 4.7116 0.0000 0.0000 62.0610 33.2179 175.4522 9 R 4.4508 8.3756 115.0861 57.8763 31.3929 176.5225 10 N 5.5386 7.8745 114.1035 51.8549 43.1376 174.0847 11 K 4.5420 9.0194 121.4917 55.4703 36.5076 174.2950 12 V 5.0098 8.5932 126.6481 59.9545 33.4572 174.5168 13 A 4.8348 9.2269 126.2834 50.0038 23.2627 174.6172 14 V 5.2759 7.9253 117.9076 60.9055 33.9859 175.5277 15 T 4.1672 8.2989 121.6355 65.0885 68.7815 175.0674 16 G 3.9465 9.4828 114.9767 45.2991 0.0000 174.0906 17 G 3.8873 7.5787 106.6006 45.7208 0.0000 172.4757 18 K 5.0817 8.3643 121.7680 54.8712 33.6651 175.6712 19 V 4.4709 9.0983 127.5008 61.3330 34.8207 174.2458 20 T 4.8627 8.3096 122.5997 61.8126 71.8469 172.9438 21 L 4.6787 8.4350 127.0774 53.1540 43.7927 176.0653 22 S 5.2330 9.4128 120.3623 57.3352 65.9494 172.4812 23 C 5.5108 9.6510 121.7996 55.2794 42.3124 172.5901 24 Q 6.0400 9.5355 124.8654 53.2541 31.4885 174.5682 25 Q 5.7781 9.0613 120.8002 53.4735 31.7270 175.0248 26 T 4.6315 8.2834 108.7825 61.7527 69.6113 174.2380 27 N 4.2745 8.3523 118.6637 53.3159 39.0715 174.4792 28 N 4.1602 7.8929 115.1006 54.6997 37.3414 173.2695 29 H 4.7781 8.7580 113.0737 54.6914 29.9669 175.8301 30 N 4.6026 8.8598 121.3664 56.5140 39.0202 175.4984 31 N 5.3750 7.7870 114.8262 52.3836 40.5550 174.1437 32 M 5.1240 7.4415 119.7309 54.0642 36.8133 173.5609 33 Y 5.1089 9.0697 118.6324 56.0673 43.1762 174.5754 34 W 5.0501 8.9112 119.9101 55.5563 32.8511 174.3292 35 Y 5.6575 9.7879 122.6768 56.1989 42.0061 174.9756 36 R 5.0792 9.0167 116.1015 55.0449 33.0281 173.7553 37 Q 5.1682 9.2832 125.6390 54.5959 31.2011 174.1311 38 D 4.7013 8.5907 125.2491 52.4244 44.5118 174.7703 39 T 3.9831 8.6316 120.5303 67.2494 68.1519 171.9768 40 G 3.5232 8.4882 119.1336 45.7646 0.0000 173.4039 41 H 4.7319 7.6551 118.2213 54.1437 31.4228 176.7350 42 G 4.0245 8.0012 110.0842 45.7654 0.0000 175.3415 43 L 4.7862 8.4641 130.2600 53.1868 42.8765 175.1417 44 R 4.8827 8.6488 125.6573 54.1742 33.1024 175.2619 45 L 4.3184 8.8891 125.9463 55.5634 42.9870 176.7833 46 I 4.0414 9.2073 128.1801 63.4439 38.4435 175.2767 47 H 5.6369 7.9956 117.4674 54.8326 33.6862 171.5177 48 Y 5.3372 9.2406 118.9887 55.6737 42.2322 173.5143 49 S 4.2902 7.9187 112.4338 56.8929 65.5387 174.0200 50 Y 4.4566 8.0599 122.5769 57.7907 38.8115 175.7478 51 G 3.8473 7.1741 107.8965 44.8099 0.0000 171.6781 52 A 4.2786 8.3301 122.1373 53.9178 18.4256 178.3404 53 G 3.9386 9.1358 110.8474 45.1956 0.0000 173.0757 54 S 4.8452 7.6929 114.6670 56.7388 64.3373 174.1670 55 T 4.4809 8.2218 116.9983 61.0971 70.0546 172.6397 56 E 4.5603 8.8031 127.5528 54.4796 32.2301 175.3112 57 K 4.8538 8.5249 120.7508 55.7462 34.2764 177.1725 58 G 4.2398 8.4284 112.0866 46.4556 0.0000 174.3148 59 D 4.7028 9.2217 121.1902 56.7075 41.1856 177.5210 60 I 4.7041 7.5632 110.5098 58.7726 35.5040 173.4418 61 P 4.4339 0.0000 0.0000 65.9499 32.7880 177.9583 62 D 4.2527 8.3009 120.0510 56.7122 41.0775 176.7193 63 G 3.6192 8.8040 112.4994 45.4414 0.0000 171.7963 *65 Y 5.2645 7.1657 115.4472 58.0318 39.4343 174.0806 66 K 4.8340 8.8982 119.9421 55.0841 36.9313 174.4856 67 A 5.0597 7.9535 121.3103 52.2425 22.5782 175.6116 68 S 4.3755 8.0569 110.6960 57.6260 65.8685 174.1639 69 R 5.4253 8.7317 128.3160 53.1744 28.6578 174.1861 70 P 4.3246 0.0000 0.0000 64.7332 32.0413 176.6661 71 S 4.5442 7.4045 111.2072 57.3066 65.4138 173.4983 72 Q 4.0476 8.6538 120.5056 58.8805 28.9382 176.5968 73 E 4.3985 8.0989 115.3309 56.4350 30.5160 174.7878 74 Q 5.6694 7.8062 120.1121 53.2340 32.3101 174.1410 75 F 5.3953 8.9137 127.7841 57.3814 41.9706 173.3721 76 S 4.9936 9.1371 123.2887 56.9216 65.4580 173.0609 77 L 4.5528 8.1778 124.9116 53.0758 44.3702 175.1046 78 I 4.7965 8.6468 126.4439 59.3927 40.9320 174.3865 79 L 4.6633 9.0774 126.8853 53.1368 43.2038 177.1994 80 E 3.7947 8.8102 124.6810 58.2661 30.0344 177.3413 81 L 4.7635 7.3017 117.2593 51.6815 41.8951 175.3629 82 A 4.6967 9.3878 124.3138 51.8735 19.7795 176.8608 83 T 4.8069 8.4313 111.0137 58.9974 72.3773 173.1085 84 P 4.4186 0.0000 0.0000 66.1002 31.4939 178.8961 85 S 4.2215 8.0849 112.4314 60.9975 63.1330 174.7784 86 Q 4.6389 8.3405 119.2254 55.9544 28.6510 174.9286 87 T 4.6086 7.9517 116.5278 63.5542 69.2194 174.2235 88 S 4.4653 8.2069 119.5879 58.5081 67.9573 174.7622 89 V 4.6791 7.1711 119.2445 61.4614 33.2139 174.2735 90 Y 5.2496 9.0654 126.4159 56.7951 40.0224 174.6474 91 F 5.4109 9.5885 122.3673 55.9727 42.4167 173.9190 92 C 4.6621 9.4816 122.6485 54.4212 46.9516 171.7992 93 A 5.5379 8.1772 121.3353 52.4534 22.2213 175.1141 94 S 5.0182 8.5921 112.4812 56.5594 66.6176 172.8779 95 G 4.0079 8.4515 109.3341 43.9224 0.0000 176.5493 96 G 3.8066 8.5929 117.8212 44.8622 0.0000 172.2112 97 G 3.9410 8.3476 108.4030 44.5358 0.0000 172.7848 98 R 3.8722 8.3419 119.8774 57.2370 30.3097 176.9811 99 G 3.6234 8.2090 112.5818 45.6992 0.0000 174.1655 100 S 4.3718 6.9941 116.2949 56.6264 60.3531 173.8612 101 Y 4.3438 7.5228 121.9072 60.3987 38.3765 178.5394 102 A 3.9781 7.5055 121.8429 54.5605 18.8209 178.5433 *105 E 4.6154 7.9476 114.1566 56.1751 32.1412 176.1614 106 Q 4.6650 7.4585 117.2005 55.3901 30.2099 175.8362 107 F 4.6262 9.2653 121.0203 55.7559 41.5159 175.1791 108 F 4.9107 9.2557 122.7556 57.2534 40.4074 175.4484 109 G 4.3366 9.1209 109.0367 43.9976 0.0000 172.9025 110 P 4.6597 0.0000 0.0000 63.3887 31.4310 176.9339 111 G 3.5556 8.0470 105.1270 45.9342 0.0000 172.9819 112 T 4.8304 8.5495 117.3820 61.5035 72.0997 173.3348 113 R 4.6138 8.8983 126.3415 55.3707 31.6580 175.2793 114 L 5.2677 9.0567 126.4564 53.5207 45.4109 175.0791 115 T 4.9344 9.2771 122.9837 61.7336 72.1560 173.0357 116 V 4.9621 8.6318 126.9965 60.5091 33.4294 175.6103 *250 L 4.8460 8.2643 127.0449 55.1819 42.1220 177.0601 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 3 A 8.12 4.39 1.28 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 0.00 0.00 4 V 8.40 4.54 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 0.85 0.00 0.00 1.09 0.00 0.00 5 T 10.13 4.81 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 1.26 0.00 0.00 6 Q 8.69 5.26 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 7 S 9.22 4.74 0.00 3.76 3.74 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 8 P 0.00 4.71 0.00 2.34 2.09 0.00 3.73 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 1.97 1.97 0.00 9 R 8.38 4.45 0.00 1.78 2.03 0.00 3.32 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 10 N 7.87 5.54 0.00 2.56 2.67 0.00 0.00 6.66 7.61 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 11 K 9.02 4.54 0.00 1.82 1.60 0.00 1.45 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 1.39 7.81 12 V 8.59 5.01 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 0.79 0.00 0.00 0.94 0.00 0.00 13 A 9.23 4.83 1.19 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 0.00 0.00 0.00 14 V 7.93 5.28 2.07 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 1.12 0.00 0.00 0.92 0.00 0.00 15 T 8.30 4.17 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 1.24 0.00 0.00 16 G 9.48 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 17 G 7.58 3.89 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 0.00 0.00 0.00 18 K 8.36 5.08 0.00 1.73 1.67 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.47 7.81 19 V 9.10 4.47 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 0.80 0.00 0.00 0.87 0.00 0.00 20 T 8.31 4.86 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 1.15 0.00 0.00 21 L 8.43 4.68 0.00 0.57 1.21 0.10 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.41 5.23 0.00 3.79 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 23 C 9.65 5.51 0.00 3.15 3.22 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 0.00 24 Q 9.54 6.04 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.47 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 25 Q 9.06 5.78 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.26 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 26 T 8.28 4.63 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 1.20 0.00 0.00 27 N 8.35 4.27 0.00 2.28 2.13 0.00 0.00 7.00 8.00 0.00 0.00 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 N 7.89 4.16 0.00 2.77 2.82 0.00 0.00 7.04 7.89 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 29 H 8.76 4.78 0.00 3.26 3.22 0.00 5.73 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.86 4.60 0.00 2.73 3.10 0.00 0.00 7.00 8.00 0.00 0.00 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 N 7.79 5.38 0.00 3.00 2.40 0.00 0.00 7.37 7.66 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 32 M 7.44 5.12 0.00 1.77 1.32 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 33 Y 9.07 5.11 0.00 2.63 2.27 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 34 W 8.91 5.05 0.00 3.31 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 35 Y 9.79 5.66 0.00 3.11 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 36 R 9.02 5.08 0.00 1.49 1.91 0.00 2.87 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 37 Q 9.28 5.17 0.00 2.45 2.26 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 2.40 2.43 0.00 38 D 8.59 4.70 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.63 3.98 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 1.21 0.00 0.00 40 G 8.49 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.66 4.73 0.00 3.12 3.30 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.00 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 43 L 8.46 4.79 0.00 1.46 1.38 0.68 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.65 4.88 0.00 1.90 1.90 0.00 3.23 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 1.63 1.61 0.00 45 L 8.89 4.32 0.00 1.89 1.60 0.59 1.03 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 46 I 9.21 4.04 1.96 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.66 0.46 0.00 0.00 47 H 8.00 5.64 0.00 3.16 3.32 0.00 5.56 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 9.24 5.34 0.00 2.33 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 49 S 7.92 4.29 0.00 2.96 2.66 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 0.00 0.00 0.00 50 Y 8.06 4.46 0.00 2.88 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 51 G 7.17 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 52 A 8.33 4.28 1.25 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 0.00 0.00 0.00 53 G 9.14 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 0.00 0.00 0.00 54 S 7.69 4.85 0.00 3.90 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 55 T 8.22 4.48 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 1.31 0.00 0.00 56 E 8.80 4.56 0.00 1.16 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 1.47 1.47 0.00 57 K 8.52 4.85 0.00 1.85 1.96 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.51 7.81 58 G 8.43 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 0.00 0.00 0.00 0.00 59 D 9.22 4.70 0.00 2.76 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 I 7.56 4.70 1.98 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 1.45 0.73 0.97 0.00 0.00 61 P 0.00 4.43 0.00 2.19 2.21 0.00 3.98 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 62 D 8.30 4.25 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.80 3.62 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 0.00 0.00 0.00 *65 Y 7.17 5.26 0.00 2.99 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 66 K 8.90 4.83 0.00 1.60 1.62 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.34 7.81 67 A 7.95 5.06 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 68 S 8.06 4.38 0.00 3.86 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 69 R 8.73 5.43 0.00 2.04 1.87 0.00 3.69 0.00 0.00 3.19 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 70 P 0.00 4.32 0.00 2.24 2.20 0.00 4.24 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 2.04 2.00 0.00 71 S 7.40 4.54 0.00 3.96 3.89 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 72 Q 8.65 4.05 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 73 E 8.10 4.40 0.00 2.24 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 2.34 2.33 0.00 74 Q 7.81 5.67 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 75 F 8.91 5.40 0.00 2.93 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 76 S 9.14 4.99 0.00 3.70 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 77 L 8.18 4.55 0.00 0.27 0.24 0.61 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.65 4.80 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.51 0.83 0.00 0.00 79 L 9.08 4.66 0.00 1.44 1.44 0.82 0.86 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 80 E 8.81 3.79 0.00 1.90 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 2.25 2.27 0.00 81 L 7.30 4.76 0.00 1.41 1.50 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 82 A 9.39 4.70 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 83 T 8.43 4.81 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 1.21 0.00 0.00 84 P 0.00 4.42 0.00 2.20 2.17 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 85 S 8.08 4.22 0.00 3.85 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 86 Q 8.34 4.64 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.01 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 87 T 7.95 4.61 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 1.29 0.00 0.00 88 S 8.21 4.47 0.00 3.86 3.26 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 89 V 7.17 4.68 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 0.58 0.00 0.00 0.91 0.00 0.00 90 Y 9.07 5.25 0.00 3.11 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.59 5.41 0.00 3.25 3.23 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 92 C 9.48 4.66 0.00 1.74 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 93 A 8.18 5.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.59 5.02 0.00 4.04 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 95 G 8.45 4.01 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 0.00 0.00 0.00 96 G 8.59 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 97 G 8.35 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 0.00 0.00 0.00 98 R 8.34 3.87 0.00 1.62 1.72 0.00 3.12 0.00 0.00 3.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.85 0.00 99 G 8.21 3.62 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 0.00 0.00 0.00 100 S 6.99 4.37 0.00 3.81 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 0.00 101 Y 7.52 4.34 0.00 3.04 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 0.00 102 A 7.51 3.98 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 *105 E 7.95 4.62 0.00 2.00 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 0.00 2.27 2.12 0.00 106 Q 7.46 4.66 0.00 1.79 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.69 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 107 F 9.27 4.63 0.00 3.10 3.06 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 0.00 108 F 9.26 4.91 0.00 2.86 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 0.00 109 G 9.12 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 0.00 110 P 0.00 4.66 0.00 2.26 2.27 0.00 3.95 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 111 G 8.05 3.56 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 0.00 112 T 8.55 4.83 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 1.36 0.00 0.00 113 R 8.90 4.61 0.00 1.94 1.88 0.00 3.19 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 114 L 9.06 5.27 0.00 1.91 1.97 0.97 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 115 T 9.28 4.93 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 1.23 0.00 0.00 116 V 8.63 4.96 2.18 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 1.33 0.00 0.00 0.99 0.00 0.00 *250 L 8.26 4.85 0.00 1.67 1.60 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.