NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3338 8.3033 120.2269 56.6123 31.1582 176.3392 3 R 4.2547 8.3468 121.6520 55.8698 29.7820 176.2129 4 Y 4.5398 8.5063 117.6321 58.2762 39.1042 177.5694 5 R 3.7766 7.5228 119.9164 59.1769 30.5521 177.6179 6 R 4.0173 7.9027 117.6711 59.4988 30.1361 178.8768 7 G 3.7989 7.7973 107.0849 45.8860 0.0000 174.2918 *9 E 4.1960 8.1846 119.9414 55.3025 31.0416 176.0876 10 I 4.1795 7.9401 119.3846 63.8414 38.0529 177.7979 11 L 3.9375 7.4557 119.3264 57.5222 40.6344 177.6817 12 N 4.1432 7.9165 117.5694 56.1648 39.0287 175.2022 13 R 4.2838 7.3812 115.4422 56.4502 30.3889 176.6584 *15 N 4.5047 7.8852 120.2554 54.2759 38.9606 175.4059 16 R 4.1686 7.9804 124.2352 61.0063 29.8610 178.7240 17 K 4.5594 8.0082 119.2593 58.7414 32.2264 178.9688 18 S 4.2033 7.8839 112.9905 61.3545 62.3794 175.2806 19 Y 4.1703 8.0574 122.5302 60.8031 38.6361 178.1927 20 T 3.8963 8.7196 110.2611 61.8948 69.4420 175.1875 21 A 4.2594 7.9428 123.1115 54.7478 20.6908 179.2399 22 I 3.9252 7.9482 104.9270 62.1040 37.4035 176.9328 23 R 4.2268 7.6873 117.5731 57.6029 30.0264 176.1420 24 D 5.0948 8.1971 118.7236 53.7154 41.0935 176.7388 25 E 4.8098 7.6714 115.6906 55.8535 32.9032 175.9912 26 L 4.1163 7.9435 117.6907 57.0110 42.1613 177.3143 27 E 4.5121 8.0992 115.6825 55.7290 29.3074 175.4692 28 D 4.8478 7.0836 115.7584 55.0113 44.3342 175.8895 29 V 3.9577 7.4363 120.5198 60.1520 33.4399 176.1110 30 A 3.8988 8.5540 124.0022 52.4326 18.5744 176.8739 31 P 4.3209 0.0000 0.0000 64.7545 31.1615 178.0471 32 D 3.9224 8.0149 119.8007 57.1425 40.5800 178.3789 33 L 3.9471 7.6365 120.1269 58.2505 42.1472 178.7594 34 A 4.0750 7.8634 118.5740 55.2902 18.4663 178.7218 35 R 3.7596 8.2200 118.5455 58.6385 30.0625 178.2104 36 F 4.4004 8.3171 117.6062 61.0748 39.1661 177.9975 37 V 3.7052 8.0807 117.3642 66.0737 30.7417 177.8728 38 A 4.1574 8.6490 120.2301 54.8603 18.7230 179.1129 39 E 4.2405 8.0739 115.4328 58.5827 30.0408 176.5536 40 F 4.8770 9.1167 118.9690 59.7710 43.7163 175.3568 41 A 3.7441 7.9555 122.4687 55.2159 18.2888 179.0302 42 Y 3.8085 8.0406 114.1781 57.9384 38.6634 178.7876 43 G 4.1403 8.3730 116.3000 48.0970 0.0000 173.5022 44 D 4.6974 7.6375 116.1425 54.4114 42.5607 176.6364 45 V 4.0906 7.2974 116.5308 64.6730 32.8268 176.2449 46 Y 4.0371 7.9236 116.3943 61.1148 38.0684 178.1973 47 S 4.5546 7.8450 114.4967 57.1490 60.7629 172.6576 48 R 4.4826 7.5496 123.8345 55.6356 33.9005 177.1389 49 G 4.0499 8.6258 116.4528 45.6538 0.0000 173.9314 50 V 4.0817 7.7381 119.6121 63.0930 33.1815 175.5611 51 L 4.6548 7.1556 120.9547 52.6129 44.2328 177.2024 52 D 4.5094 8.6036 124.9027 55.2454 41.5029 175.9371 53 L 3.9481 8.3206 118.2842 59.5764 42.4072 178.8257 54 K 3.8943 8.1885 117.9061 60.1148 31.8408 179.0734 55 T 3.8169 7.4247 115.3760 66.8521 68.4872 176.9762 56 R 3.7302 7.5939 119.5124 59.2043 29.8806 179.1112 57 E 4.1127 8.0432 118.0283 59.2741 29.6750 178.8466 58 L 3.9879 7.8468 120.0812 58.1252 42.1049 179.0006 59 L 3.9819 8.2662 119.3834 58.1474 41.5216 179.6807 60 T 3.8836 7.8620 115.6129 66.3230 68.0676 176.8645 61 L 3.9887 7.6525 120.3361 57.5329 42.0446 178.9702 62 A 4.1073 7.9545 120.3797 55.2599 18.0514 179.5548 63 A 3.9793 8.1651 119.3217 54.9696 18.2346 178.8840 64 L 4.3756 7.6421 114.4070 55.6284 42.1885 178.5245 65 T 4.1856 7.6094 117.2821 66.1911 68.6307 177.1461 66 V 3.6424 7.6763 118.4256 65.8049 32.0157 177.1281 67 L 4.2420 7.7914 116.2877 54.4454 41.3441 177.5073 68 R 3.8503 7.6093 116.4301 56.7452 28.4065 175.8218 69 A 4.2629 7.4720 119.8151 52.1834 19.2832 178.7115 70 D 4.7549 8.5703 121.6820 55.5383 42.2384 178.9723 71 D 4.3227 7.8970 119.1594 57.5748 41.1288 178.6189 72 Q 4.1477 8.0722 117.7582 58.5220 28.7205 178.7807 73 L 3.9846 7.7405 121.3535 57.8862 42.3364 178.6116 74 K 3.8878 7.8432 117.9404 59.7887 32.0559 179.1823 75 S 4.1412 7.9594 115.0508 62.2587 62.8339 176.4944 76 H 4.4494 8.2225 117.1987 57.6800 28.5621 178.0253 77 V 3.6607 7.5939 120.5071 65.7199 31.4663 177.7090 78 R 4.0387 8.0318 118.5937 59.7055 30.1043 178.8388 79 G 3.7062 8.2043 104.9013 47.5571 0.0000 175.4125 80 A 4.2310 8.2070 123.0740 54.7416 18.2709 179.8154 81 L 4.1311 7.9878 117.8709 58.1506 41.6367 179.2811 82 N 3.8474 8.0287 114.4834 55.5694 38.4623 176.1727 83 A 4.5714 7.4403 119.4653 51.3550 19.1801 177.0943 84 G 3.7671 8.8706 106.8554 46.8849 0.0000 173.5569 85 C 4.7389 7.7449 117.1153 58.0263 29.6751 174.9735 86 S 4.4106 9.4494 119.8578 57.7181 64.9119 175.5540 87 K 3.9766 8.5526 124.8689 60.4410 31.7464 179.7358 88 D 4.4225 8.0790 120.6993 58.5477 39.5789 180.4257 89 E 4.1865 7.9857 119.8755 59.2484 29.2810 179.5051 90 I 3.7373 7.6745 118.2090 64.7143 37.3599 178.1415 91 I 3.8762 8.3670 119.4309 64.5333 37.1284 177.9634 92 E 4.1670 8.3664 119.5427 59.2785 29.1317 181.1331 93 V 3.7909 7.2140 117.2063 62.3849 31.9998 177.1488 *95 I 4.1100 7.7133 121.1456 62.3935 39.2598 178.4358 96 Q 4.1477 7.9449 123.2673 55.4501 27.9095 177.6216 *98 A 4.1548 8.0248 121.4792 51.9538 20.6815 179.7844 99 V 3.5144 7.4436 114.0954 65.3531 31.6773 176.5453 100 Y 4.2988 7.7406 115.0005 58.4399 38.4856 175.7104 101 A 4.5853 8.1920 119.0739 50.8128 20.9130 176.7596 102 G 4.1449 7.8778 102.4371 45.3362 0.0000 174.8772 103 F 3.9128 9.2740 119.4220 60.0160 38.9468 176.3180 104 P 4.4908 0.0000 0.0000 65.2645 31.0447 178.5944 105 A 3.9568 7.9313 119.3614 54.9429 18.3821 179.3920 106 A 3.8584 7.8723 118.7402 55.6031 18.6202 179.7271 107 I 3.6599 8.2228 118.5748 64.3823 36.6068 178.2685 108 N 4.2180 7.9898 117.1823 56.6840 38.8406 176.6678 109 A 3.9712 8.3437 122.5545 55.3168 18.5112 179.7744 110 V 3.4413 7.9218 116.6243 66.0800 31.4102 178.1431 111 L 4.0866 7.7450 116.8452 56.7465 41.6692 178.7763 112 A 4.1730 7.4816 120.4065 54.6548 18.9471 179.3272 113 A 3.6369 7.9528 119.2532 54.8390 17.9907 179.7204 114 K 3.8733 7.4834 117.6006 59.7065 32.3736 178.5795 115 E 4.1446 8.0224 119.2006 59.1376 29.1491 179.6954 116 V 3.6907 7.5306 117.9733 64.8282 31.9143 178.0580 117 F 4.8521 8.5352 117.1544 58.3445 38.8060 175.1730 118 T 4.5469 7.3433 116.0331 61.8927 68.8627 174.2530 119 E 4.2550 8.4680 123.7420 56.5886 29.4375 175.1062 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 E 8.30 4.33 0.00 2.18 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 0.00 2.37 2.36 0.00 3 R 8.35 4.25 0.00 1.98 1.93 0.00 3.13 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 4 Y 8.51 4.54 0.00 3.10 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 5 R 7.52 3.78 0.00 1.70 1.90 0.00 3.03 0.00 0.00 2.96 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.48 0.00 6 R 7.90 4.02 0.00 1.80 2.02 0.00 3.34 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 7 G 7.80 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 *9 E 8.18 4.20 0.00 2.05 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 0.00 2.16 2.28 0.00 10 I 7.94 4.18 2.03 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 1.69 1.07 1.07 0.00 0.00 11 L 7.46 3.94 0.00 0.91 0.65 0.63 0.29 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 12 N 7.92 4.14 0.00 2.47 2.71 0.00 0.00 7.00 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 13 R 7.38 4.28 0.00 1.84 1.91 0.00 3.26 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 *15 N 7.89 4.50 0.00 2.75 2.71 0.00 0.00 7.23 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 16 R 7.98 4.17 0.00 1.86 1.92 0.00 3.31 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 17 K 8.01 4.56 0.00 1.72 1.91 0.00 1.78 0.00 0.00 2.29 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.38 7.81 18 S 7.88 4.20 0.00 4.15 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 19 Y 8.06 4.17 0.00 2.94 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 20 T 8.72 3.90 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 0.95 0.00 0.00 21 A 7.94 4.26 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 22 I 7.95 3.93 1.87 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 1.36 0.78 0.92 0.00 0.00 23 R 7.69 4.23 0.00 1.96 2.12 0.00 2.81 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 24 D 8.20 5.09 0.00 2.67 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 25 E 7.67 4.81 0.00 1.93 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 2.26 2.28 0.00 26 L 7.94 4.12 0.00 1.75 1.69 0.91 0.60 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 27 E 8.10 4.51 0.00 2.07 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 2.25 2.19 0.00 28 D 7.08 4.85 0.00 2.57 2.51 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 29 V 7.44 3.96 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 30 A 8.55 3.90 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 31 P 0.00 4.32 0.00 2.20 2.28 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 32 D 8.01 3.92 0.00 2.52 2.08 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 33 L 7.64 3.95 0.00 1.76 1.81 1.00 1.15 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 34 A 7.86 4.07 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 35 R 8.22 3.76 0.00 1.68 1.37 0.00 2.66 0.00 0.00 2.84 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.06 0.00 36 F 8.32 4.40 0.00 3.23 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 37 V 8.08 3.71 2.34 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 1.16 0.00 0.00 1.11 0.00 0.00 38 A 8.65 4.16 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 39 E 8.07 4.24 0.00 1.82 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 0.00 2.45 2.45 0.00 40 F 9.12 4.88 0.00 3.03 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 41 A 7.96 3.74 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 42 Y 8.04 3.81 0.00 3.09 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 43 G 8.37 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.64 4.70 0.00 2.97 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 45 V 7.30 4.09 2.16 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 0.76 0.00 0.00 0.55 0.00 0.00 46 Y 7.92 4.04 0.00 3.04 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 47 S 7.85 4.55 0.00 4.02 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 48 R 7.55 4.48 0.00 1.78 1.79 0.00 3.27 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 49 G 8.63 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 50 V 7.74 4.08 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 0.82 0.00 0.00 0.90 0.00 0.00 51 L 7.16 4.65 0.00 1.67 1.42 0.86 0.90 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 52 D 8.60 4.51 0.00 2.68 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 53 L 8.32 3.95 0.00 1.77 1.71 1.05 0.40 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 54 K 8.19 3.89 0.00 1.83 1.89 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.59 7.81 55 T 7.42 3.82 4.32 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 1.14 0.00 0.00 56 R 7.59 3.73 0.00 1.49 1.07 0.00 2.76 0.00 0.00 2.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.41 0.00 57 E 8.04 4.11 0.00 2.21 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 0.00 2.57 2.43 0.00 58 L 7.85 3.99 0.00 2.06 1.65 0.95 0.46 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 59 L 8.27 3.98 0.00 1.79 1.64 0.82 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.86 3.88 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 1.02 0.00 0.00 61 L 7.65 3.99 0.00 1.86 1.74 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.95 4.11 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 63 A 8.17 3.98 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 64 L 7.64 4.38 0.00 1.64 1.71 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.61 4.19 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 1.23 0.00 0.00 66 V 7.68 3.64 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 0.88 0.00 0.00 0.95 0.00 0.00 67 L 7.79 4.24 0.00 1.74 1.68 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.61 3.85 0.00 1.96 1.99 0.00 3.17 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 69 A 7.47 4.26 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 70 D 8.57 4.75 0.00 2.72 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 71 D 7.90 4.32 0.00 2.74 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 72 Q 8.07 4.15 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 73 L 7.74 3.98 0.00 1.95 1.82 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.84 3.89 0.00 2.04 1.85 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.76 7.81 75 S 7.96 4.14 0.00 4.08 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 76 H 8.22 4.45 0.00 3.32 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.59 3.66 2.25 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 1.07 0.00 0.00 0.95 0.00 0.00 78 R 8.03 4.04 0.00 2.15 2.06 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 79 G 8.20 3.71 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 0.00 0.00 0.00 80 A 8.21 4.23 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.99 4.13 0.00 1.99 1.75 1.07 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.03 3.85 0.00 2.76 2.92 0.00 0.00 7.01 7.26 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 83 A 7.44 4.57 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 84 G 8.87 3.77 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 0.00 0.00 0.00 85 C 7.74 4.74 0.00 3.18 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 86 S 9.45 4.41 0.00 3.97 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 87 K 8.55 3.98 0.00 1.64 1.72 0.00 1.31 0.00 0.00 1.03 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 1.04 7.81 88 D 8.08 4.42 0.00 2.68 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 89 E 7.99 4.19 0.00 2.24 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 2.34 2.36 0.00 90 I 7.67 3.74 2.27 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 1.89 0.96 0.98 0.00 0.00 91 I 8.37 3.88 2.04 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 1.92 0.89 0.95 0.00 0.00 92 E 8.37 4.17 0.00 2.22 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 2.54 2.48 0.00 93 V 7.21 3.79 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 0.84 0.00 0.00 0.93 0.00 0.00 *95 I 7.71 4.11 2.05 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 1.27 0.73 0.87 0.00 0.00 96 Q 7.94 4.15 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.38 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 *98 A 8.02 4.15 0.67 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 99 V 7.44 3.51 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 0.09 0.00 0.00 0.80 0.00 0.00 100 Y 7.74 4.30 0.00 3.03 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 0.00 101 A 8.19 4.59 1.26 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 0.00 0.00 102 G 7.88 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 103 F 9.27 3.91 0.00 3.11 3.19 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 0.00 104 P 0.00 4.49 0.00 2.19 2.14 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 105 A 7.93 3.96 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 0.00 106 A 7.87 3.86 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 0.00 107 I 8.22 3.66 1.91 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 1.71 1.35 0.94 0.00 0.00 108 N 7.99 4.22 0.00 3.02 2.97 0.00 0.00 7.03 8.60 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 0.00 109 A 8.34 3.97 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 0.00 110 V 7.92 3.44 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 1.00 0.00 0.00 0.94 0.00 0.00 111 L 7.75 4.09 0.00 1.84 1.70 0.92 0.80 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 0.00 112 A 7.48 4.17 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 0.00 113 A 7.95 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.48 3.87 0.00 1.87 1.99 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 115 E 8.02 4.14 0.00 2.17 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 0.00 2.32 2.45 0.00 116 V 7.53 3.69 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 0.74 0.00 0.00 1.01 0.00 0.00 117 F 8.54 4.85 0.00 3.09 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 0.00 118 T 7.34 4.55 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 1.24 0.00 0.00 119 E 8.47 4.25 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.