NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8102 8.3549 109.7526 46.0496 0.0000 172.2448 *2 I 3.8157 7.9425 119.1668 60.9781 38.1112 176.6591 3 T 3.8554 8.4957 117.1995 64.9210 68.2014 176.3120 4 S 4.0519 8.0022 116.4720 61.1710 62.8998 176.4307 5 I 3.5927 7.6411 123.2335 64.2454 36.8612 178.2477 6 A 3.9958 7.7689 121.0385 54.9039 18.3207 179.3512 7 R 2.5779 7.5119 116.9778 59.5240 30.0989 178.8863 8 Q 3.9970 8.1429 117.9283 58.7186 28.6225 178.6366 9 S 4.1036 8.1136 114.2789 61.5230 62.4005 176.3487 10 I 3.8824 7.8414 122.4167 64.4104 36.8587 178.3976 11 I 4.1760 7.9463 120.6341 64.7666 37.0662 178.5329 12 L 4.0334 8.1756 119.6706 57.6811 41.4221 179.7969 13 K 3.9590 8.3299 118.5426 59.7432 31.7998 179.2617 14 C 4.1499 8.2178 116.0524 62.5615 28.0360 175.8920 15 L 4.0785 7.7719 119.9812 57.6782 41.3594 179.2113 16 R 3.9823 7.7887 115.7469 55.8232 31.3341 176.2936 17 Q 2.0000 7.4053 116.7942 56.1421 26.4297 173.3351 18 K 4.4676 6.3052 114.1137 55.6536 36.7087 178.2695 19 S 4.0053 8.8702 116.2700 57.7215 61.8562 169.0837 20 V 4.6508 7.8817 111.8571 59.1680 35.4626 175.1973 21 L 4.2059 8.3560 121.0841 55.2830 41.5950 177.8515 22 V 4.5759 9.1357 115.2961 60.9120 33.4460 176.0003 23 S 4.8611 7.3577 113.9816 56.2027 66.8665 174.7310 24 N 4.6260 8.8314 120.0150 56.4020 37.7668 177.2587 25 Y 4.2203 7.7108 118.0597 61.2828 38.0134 178.4018 26 E 4.1291 8.1577 119.4875 59.2369 29.4979 179.0849 27 L 3.8691 7.8615 120.3577 58.5644 42.1549 178.7697 28 Y 4.0467 8.5759 116.7850 61.0639 37.7975 177.8650 29 Y 4.4304 8.0583 121.3761 60.5727 38.8967 178.1054 30 T 3.7019 8.1753 116.4490 66.5512 68.5580 176.2963 31 A 4.0244 8.3581 123.0940 55.0891 18.4155 179.8531 32 G 2.3994 7.5658 104.0212 47.5809 0.0000 175.8715 33 L 3.6902 7.3231 121.4470 57.1495 41.4139 179.4482 34 A 3.8429 7.9793 120.9538 54.8660 18.2960 179.6929 35 K 3.8494 7.7024 118.1276 59.3776 32.0933 179.0148 36 K 3.7817 7.4664 118.5733 59.8250 32.2121 178.2645 37 C 4.0683 7.9249 115.7857 61.5915 28.1316 174.5080 38 F 4.9215 7.8094 116.2709 56.3712 40.5022 176.3981 39 G 3.9336 8.2383 108.1008 45.7817 0.0000 173.7700 40 I 3.7570 7.7822 120.0476 61.1070 37.5908 177.4344 41 A 4.4073 8.3846 129.0622 51.5491 16.1024 176.4906 42 V 4.6420 7.6359 113.8347 58.9816 35.6911 174.9324 43 D 4.3278 7.9043 119.1083 51.2685 42.2274 175.5287 44 A 3.5482 7.5761 122.9902 55.0327 18.5332 178.4086 45 D 4.5630 7.2111 115.2128 53.6054 39.1368 176.0324 *47 E 4.0492 7.9628 122.0705 54.8812 32.3176 174.0099 48 P 4.3463 0.0000 0.0000 66.1260 31.3774 179.2394 49 K 3.9688 7.9796 116.4757 59.3221 32.0251 179.0769 50 Q 3.8939 7.9694 119.3634 59.0094 29.1102 177.6893 51 L 3.8512 8.1447 121.7382 58.2197 42.0107 178.8011 52 L 3.9577 8.0140 120.0944 58.0664 42.1660 178.5011 53 E 3.9412 8.3517 118.7498 59.6382 29.2252 179.3167 54 E 3.9924 8.0494 116.9548 59.3596 29.9291 179.1586 55 L 4.1863 7.9846 118.9006 58.0882 41.5497 179.7375 56 Q 4.0619 8.2392 116.6703 58.4351 28.6365 178.3610 57 K 4.0736 7.7928 119.6567 58.5314 32.2380 176.8377 58 H 4.9336 7.8080 112.9446 55.1501 30.3657 174.1579 59 I 3.9442 7.6270 114.6968 62.7439 38.2996 177.6839 60 D 4.2994 8.2298 121.8784 55.8606 39.1102 177.5548 61 K 4.4311 7.6765 118.4210 54.0570 32.8503 181.7983 62 V 3.5135 7.5899 118.7979 66.2201 31.9556 176.4099 63 S 3.6459 7.8183 112.8140 58.9014 59.9044 170.3272 64 P 4.5131 0.0000 0.0000 62.4512 32.6690 177.1559 65 A 4.1462 8.5268 123.0254 54.7339 19.1760 178.6993 66 D 4.3739 8.1493 115.3183 54.9509 42.2401 177.0764 67 E 3.9503 8.7829 126.4640 59.5462 29.5903 179.3956 68 Q 3.7127 7.7966 117.7077 58.6979 28.6163 178.3267 69 E 4.2690 8.8722 120.0605 59.4661 29.5868 179.4251 70 K 3.9767 8.3649 118.7233 59.8094 32.1345 178.7653 71 Y 3.8713 8.0937 119.6986 60.2934 38.6813 177.5979 72 L 4.1105 8.1365 120.1727 58.0898 41.8105 179.5941 73 I 3.7194 7.8769 119.4920 64.5625 36.7928 177.9522 74 H 3.9710 7.8789 117.8567 59.1605 29.5684 176.8529 75 L 3.9799 8.0454 121.0252 57.9306 41.3003 179.5849 76 L 4.2253 7.9457 117.0693 56.7045 41.6148 178.6228 77 G 3.9974 7.4994 103.5695 44.3324 0.0000 173.9286 78 N 5.0866 7.6145 116.6437 50.8575 39.4906 173.3078 79 Y 4.7838 7.6457 119.9703 57.0140 42.2947 174.3738 80 E 4.2659 7.7579 122.7646 53.0652 30.7405 173.0452 81 P 4.1670 0.0000 0.0000 61.5070 32.4368 176.1406 82 D 4.9111 8.0206 119.3357 51.8248 41.6664 175.7887 83 D 4.4239 8.5218 117.1090 55.9066 39.7397 176.3859 84 T 3.7799 7.6157 117.1665 64.5050 68.8713 174.6951 85 H 4.6338 8.4391 128.3011 53.5962 30.3218 171.8513 86 D 4.6800 7.4157 122.0255 52.4259 43.0274 176.2012 87 E 3.9844 8.6013 117.6213 59.7568 29.1458 179.5749 88 Q 4.0846 8.2270 118.1028 58.9525 28.7397 178.4280 89 T 3.9087 8.3685 111.0316 64.6862 68.6639 176.7476 90 V 3.6245 7.5790 120.8245 65.7597 31.3683 177.6440 91 E 4.0885 8.2338 117.7802 59.3224 29.6046 178.3275 92 L 4.2979 8.4482 119.4200 57.7339 41.6034 179.2674 93 F 4.3509 8.5319 120.5652 61.5761 39.4493 178.4043 94 H 5.2259 7.7417 115.6809 55.5558 28.2823 177.7075 *96 G 3.3584 8.1075 111.7187 45.3674 0.0000 175.9413 97 E 3.9337 8.0859 118.8513 58.1816 29.7441 178.1580 98 T 4.3410 7.4792 107.1999 60.6065 69.1369 173.2592 99 E 3.7594 7.3394 122.1800 57.2675 29.2302 176.5956 100 E 4.2084 8.5756 125.2751 57.4933 31.0579 176.2780 101 H 4.9041 8.3520 115.7985 53.9373 29.3684 173.3427 102 I 3.4248 7.3990 118.9512 62.1812 38.6217 175.0352 103 W 3.9175 8.1849 124.9954 57.6425 26.4663 173.6844 104 Q 4.5849 7.7952 117.8356 54.0531 29.0547 175.9092 105 V 3.6712 8.8306 126.1342 66.0895 31.8608 176.8458 106 S 4.8249 7.8116 114.7139 56.3511 63.8781 175.5791 107 I 4.1163 7.9652 117.1209 60.4810 37.1960 174.7050 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 7.94 3.82 1.79 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 1.42 0.67 0.86 0.00 0.00 3 T 8.50 3.86 4.22 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 1.21 0.00 0.00 4 S 8.00 4.05 0.00 4.00 4.11 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 0.00 0.00 0.00 5 I 7.64 3.59 1.91 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 1.41 0.82 0.87 0.00 0.00 6 A 7.77 4.00 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 7 R 7.51 2.58 0.00 1.30 1.78 0.00 2.91 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.00 0.00 8 Q 8.14 4.00 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 9 S 8.11 4.10 0.00 4.00 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 10 I 7.84 3.88 2.19 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.00 1.27 0.00 0.00 11 I 7.95 4.18 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.94 1.09 0.00 0.00 12 L 8.18 4.03 0.00 1.72 1.72 0.93 0.70 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 13 K 8.33 3.96 0.00 2.07 2.11 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.65 1.68 7.81 14 C 8.22 4.15 0.00 2.79 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 15 L 7.77 4.08 0.00 1.71 1.66 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.79 3.98 0.00 1.69 1.87 0.00 3.43 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 17 Q 7.41 2.00 0.00 1.91 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 18 K 6.31 4.47 0.00 1.86 1.62 0.00 1.96 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 0.97 7.81 19 S 8.87 4.01 0.00 4.06 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 20 V 7.88 4.65 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 0.86 0.00 0.00 1.01 0.00 0.00 21 L 8.36 4.21 0.00 1.02 0.74 0.65 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 22 V 9.14 4.58 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 0.86 0.00 0.00 1.05 0.00 0.00 23 S 7.36 4.86 0.00 4.20 4.06 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 24 N 8.83 4.63 0.00 2.67 3.03 0.00 0.00 6.84 7.48 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 25 Y 7.71 4.22 0.00 3.09 3.04 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 26 E 8.16 4.13 0.00 2.13 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 2.40 2.40 0.00 27 L 7.86 3.87 0.00 1.63 2.00 0.91 1.18 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 28 Y 8.58 4.05 0.00 3.21 3.37 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 29 Y 8.06 4.43 0.00 3.12 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 30 T 8.18 3.70 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 31 A 8.36 4.02 1.43 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 0.00 0.00 32 G 7.57 2.40 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 0.00 33 L 7.32 3.69 0.00 1.52 1.35 0.44 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.98 3.84 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 0.00 0.00 0.00 0.00 0.00 35 K 7.70 3.85 0.00 1.84 1.81 0.00 2.06 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.64 7.81 36 K 7.47 3.78 0.00 1.70 1.71 0.00 1.65 0.00 0.00 1.42 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.34 7.81 37 C 7.92 4.07 0.00 1.74 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 0.00 0.00 0.00 38 F 7.81 4.92 0.00 3.10 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 39 G 8.24 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 40 I 7.78 3.76 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 1.40 0.71 0.99 0.00 0.00 41 A 8.38 4.41 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 42 V 7.64 4.64 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 0.85 0.00 0.00 1.26 0.00 0.00 43 D 7.90 4.33 0.00 2.54 2.50 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 44 A 7.58 3.55 1.13 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 45 D 7.21 4.56 0.00 2.84 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 *47 E 7.96 4.05 0.00 1.99 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 2.31 2.36 0.00 48 P 0.00 4.35 0.00 2.21 2.29 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 49 K 7.98 3.97 0.00 1.88 1.84 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.53 1.06 7.81 50 Q 7.97 3.89 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 51 L 8.14 3.85 0.00 1.67 1.68 0.84 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.01 3.96 0.00 1.82 1.65 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.35 3.94 0.00 2.18 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 2.32 2.46 0.00 54 E 8.05 3.99 0.00 2.14 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 2.50 2.50 0.00 55 L 7.98 4.19 0.00 1.87 1.74 0.94 0.66 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 56 Q 8.24 4.06 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 57 K 7.79 4.07 0.00 1.88 1.84 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.13 1.36 7.81 58 H 7.81 4.93 0.00 3.19 3.22 0.00 5.70 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 59 I 7.63 3.94 1.77 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 1.53 0.68 0.96 0.00 0.00 60 D 8.23 4.30 0.00 2.77 2.82 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 61 K 7.68 4.43 0.00 1.77 1.71 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 0.96 7.81 62 V 7.59 3.51 1.61 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 0.36 0.00 0.00 0.68 0.00 0.00 63 S 7.82 3.65 0.00 3.97 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 64 P 0.00 4.51 0.00 2.33 2.27 0.00 3.69 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 65 A 8.53 4.15 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 66 D 8.15 4.37 0.00 2.78 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 67 E 8.78 3.95 0.00 1.95 1.90 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 2.38 2.37 0.00 68 Q 7.80 3.71 0.00 1.23 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 1.16 1.68 0.00 69 E 8.87 4.27 0.00 2.33 2.47 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 2.53 2.74 0.00 70 K 8.36 3.98 0.00 2.02 1.90 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.72 7.81 71 Y 8.09 3.87 0.00 3.18 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 72 L 8.14 4.11 0.00 2.24 1.92 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.88 3.72 2.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.23 0.86 0.00 0.00 74 H 7.88 3.97 0.00 2.88 2.83 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.05 3.98 0.00 1.84 1.67 1.09 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.95 4.23 0.00 1.63 1.74 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.50 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 0.00 0.00 0.00 78 N 7.61 5.09 0.00 2.58 2.70 0.00 0.00 6.63 7.12 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 79 Y 7.65 4.78 0.00 2.77 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 80 E 7.76 4.27 0.00 1.99 1.73 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 2.12 1.82 0.00 81 P 0.00 4.17 0.00 2.19 2.21 0.00 3.54 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 82 D 8.02 4.91 0.00 2.79 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 83 D 8.52 4.42 0.00 2.81 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 84 T 7.62 3.78 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 0.85 0.00 0.00 85 H 8.44 4.63 0.00 2.96 3.09 0.00 5.56 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 86 D 7.42 4.68 0.00 2.99 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 87 E 8.60 3.98 0.00 2.04 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 0.00 2.39 2.39 0.00 88 Q 8.23 4.08 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 89 T 8.37 3.91 3.21 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 0.75 0.00 0.00 90 V 7.58 3.62 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 1.02 0.00 0.00 0.91 0.00 0.00 91 E 8.23 4.09 0.00 2.14 2.19 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 2.37 2.46 0.00 92 L 8.45 4.30 0.00 2.16 1.99 1.23 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.53 4.35 0.00 3.34 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 94 H 7.74 5.23 0.00 3.51 3.34 0.00 5.71 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 *96 G 8.11 3.36 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 0.00 97 E 8.09 3.93 0.00 2.05 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 2.57 2.27 0.00 98 T 7.48 4.34 4.22 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 1.25 0.00 0.00 99 E 7.34 3.76 0.00 1.92 1.76 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 2.09 2.26 0.00 100 E 8.58 4.21 0.00 1.79 1.76 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 2.19 2.41 0.00 101 H 8.35 4.90 0.00 3.18 3.17 0.00 5.82 0.00 0.00 0.00 0.00 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.40 3.42 1.54 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.25 0.78 0.00 0.00 103 W 8.18 3.92 0.00 3.52 3.21 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 0.00 104 Q 7.80 4.58 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 105 V 8.83 3.67 2.10 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 0.78 0.00 0.00 0.98 0.00 0.00 106 S 7.81 4.82 0.00 3.66 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 0.00 107 I 7.97 4.12 1.61 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.93 0.80 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.