NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4445 8.3049 118.1944 54.4021 32.6056 174.7624 1 I 3.6349 8.0773 119.9931 61.5229 37.4905 174.5273 2 Q 4.8814 9.2611 123.8854 54.5980 33.5939 174.0713 3 R 4.7940 9.4318 123.0178 54.5854 33.8571 175.0874 4 T 4.9368 8.8806 120.0798 61.8583 69.5189 172.7952 5 P 4.8328 0.0000 0.0000 62.7637 32.4750 176.1486 6 K 4.4311 9.2535 122.6624 56.3215 33.6679 175.9426 7 I 5.1914 8.2896 123.0613 59.7463 40.5403 174.8640 8 Q 4.7944 9.3655 124.9402 54.1328 32.7375 174.2581 9 V 5.1023 8.4422 123.3275 61.4728 33.9513 173.9023 10 Y 5.2563 8.4674 124.0615 56.6696 41.5854 173.0319 11 S 5.0003 9.1473 114.9458 57.1872 64.5343 174.1095 12 R 4.1410 9.0122 123.6042 59.5019 30.0768 176.4231 13 H 5.0723 8.5753 113.6314 52.7455 31.4628 172.4170 14 P 4.3317 0.0000 0.0000 62.8906 31.6099 176.4268 15 A 4.3025 8.7161 126.1445 52.1911 19.2555 176.6752 16 E 4.6011 8.5282 121.1524 54.2353 32.9020 174.8959 17 N 4.6646 8.9193 121.5519 55.1861 38.9425 175.5494 18 G 3.9229 9.1262 110.7881 45.4466 0.0000 173.1780 19 K 4.5628 7.6356 119.0239 53.8727 34.4051 176.3315 20 S 4.1544 8.2850 117.7421 58.5227 64.1595 172.8382 21 N 4.9525 8.4620 118.9490 53.2444 42.7905 172.2745 22 F 5.3057 8.9531 116.2774 55.6753 43.1103 173.9178 23 L 4.0800 8.5987 125.5964 53.4048 43.5754 174.7484 24 N 5.3756 8.8930 123.6365 51.4101 42.0098 172.7604 25 C 5.3448 9.3672 122.9409 55.1072 47.6791 171.8780 26 Y 5.4563 9.4360 129.3669 56.6228 40.0313 174.4188 27 V 5.0945 8.7138 120.7784 59.7270 34.6114 175.1711 28 S 4.9917 8.9796 118.4738 57.8486 66.9372 174.7145 29 G 4.3654 8.5723 106.4641 46.9712 0.0000 173.4324 30 F 5.3232 7.4317 114.2724 55.8460 40.9744 174.0739 31 H 5.2867 8.9241 117.6769 54.7810 33.7766 171.9620 32 P 4.9473 0.0000 0.0000 62.5266 32.2582 175.9807 33 S 4.1580 8.4974 112.7769 59.8307 63.3856 174.2631 34 D 4.4413 7.9309 122.0099 54.4330 40.9333 175.1382 35 I 4.6547 7.9582 122.8176 59.7586 41.3628 173.2079 36 E 4.6377 9.0247 127.2647 54.4652 32.2958 175.1930 37 V 4.4562 7.9639 123.4836 61.0978 34.2416 174.0288 38 D 5.0093 9.0033 127.7328 52.4562 44.2598 174.9803 39 L 5.0376 8.3222 121.3324 53.2719 44.2801 175.2637 40 L 5.1895 9.0076 123.2178 52.7503 45.1569 175.2908 41 K 4.2521 8.9520 124.5093 54.7049 34.6205 175.8156 42 N 4.1331 9.8713 127.2357 54.2717 36.6758 175.6366 43 G 3.9330 8.6425 108.3605 45.6665 0.0000 174.2764 *44 E 4.6462 7.6845 116.2050 53.3391 31.8767 181.0402 45 R 4.3397 8.5233 123.3448 56.0996 30.5462 175.9093 46 I 4.0964 8.5428 129.4367 61.4210 38.0526 176.6340 *47 E 4.0510 8.9629 121.8732 58.4925 29.8376 174.7640 48 K 4.3727 7.7121 123.3622 54.1935 30.9922 173.8206 49 V 4.5268 7.8560 122.3640 60.5807 34.2521 173.9550 50 E 4.6776 8.4373 126.5020 54.8722 32.9369 174.1147 51 H 5.1598 7.7058 114.6922 53.9353 31.4440 173.3382 52 S 4.5566 8.7941 115.4021 58.0948 64.1346 173.4127 53 D 4.5300 8.4822 120.5383 53.4062 41.3028 176.3599 54 L 3.9628 8.5300 125.5329 56.3275 42.6901 175.8646 55 S 4.7456 8.2118 119.0003 57.2765 66.6133 171.7340 56 F 5.2505 7.6375 114.2823 55.8638 40.8714 174.2489 57 S 4.6870 9.2398 119.4447 57.5435 64.5390 176.1189 *58 K 3.9211 8.5233 122.0856 57.9131 31.2490 173.9790 59 D 4.5052 7.8217 115.3429 53.0699 39.4615 177.1978 60 W 3.7488 7.8573 119.6388 56.6819 28.1842 174.6853 61 S 4.3559 8.1228 114.1004 58.1101 63.9383 174.0293 62 F 5.0039 8.5672 121.5598 57.3831 40.5549 174.1568 63 Y 5.4746 8.3457 118.0070 55.7994 41.7388 173.9813 64 L 5.1401 9.5242 120.4995 53.2507 46.9495 174.7731 65 L 5.3817 9.3404 125.0221 53.8647 44.3822 174.5329 66 Y 5.1546 9.3207 124.9538 56.8754 40.3378 174.3979 67 Y 5.3910 8.5906 120.2723 56.6059 41.9231 173.3830 68 T 5.0806 8.7788 114.4368 60.5825 71.4628 172.7383 69 E 3.9920 8.6512 126.6194 56.5292 30.2791 176.1806 70 F 4.8500 8.9396 117.0811 56.0641 41.9010 173.4129 71 T 4.4809 8.2248 117.2668 60.8215 70.4712 171.9507 72 P 4.5386 0.0000 0.0000 62.9092 33.2773 175.5611 73 T 4.9692 8.5906 112.8620 60.0661 72.1663 175.1483 *74 E 3.9409 9.0044 117.1024 58.4411 29.6359 175.7034 75 K 4.4464 7.2616 114.9025 57.5283 33.9086 176.9426 76 D 4.5851 7.9408 119.5452 54.2280 41.4458 175.1040 77 E 4.9250 8.9044 123.0498 54.9279 32.0796 174.7239 78 Y 5.3746 8.9822 120.1875 56.5813 42.1520 174.1977 79 A 5.1434 8.8147 121.9448 51.2434 23.7445 174.0291 80 C 5.3477 9.2913 119.3149 54.7716 45.7660 172.6055 81 R 5.0744 9.1206 125.9921 54.5123 32.5649 174.1389 82 V 4.8112 8.7235 126.0585 61.0519 34.7132 173.6759 83 N 5.2788 8.8960 125.2777 52.4671 42.6776 172.2459 84 H 4.9043 8.4008 121.8498 55.1939 33.0043 174.6171 85 V 3.5703 8.1111 115.7741 64.6364 31.6275 177.7988 86 T 4.1537 8.0025 107.9628 62.4975 69.1794 173.4984 87 L 4.9546 7.6895 123.6021 52.8152 43.5134 176.6984 88 S 4.3000 8.8301 119.3198 60.4604 63.4292 174.1876 89 Q 4.6178 7.5417 115.9306 52.8535 31.5689 172.6294 90 P 4.4620 0.0000 0.0000 63.2470 32.1612 175.5178 91 K 4.4828 8.9509 125.4043 55.0347 34.0091 174.8611 92 I 4.9191 8.3771 127.9427 59.5438 39.3789 174.9169 93 V 4.4535 8.6066 127.0790 60.9526 33.8754 174.7504 94 K 4.7007 8.7223 127.2503 55.4999 33.2900 176.3827 95 W 4.6169 9.3103 135.0000 57.3589 31.5714 174.8807 96 D 4.5295 8.5660 126.4405 51.9744 42.4092 176.2170 97 R 3.5993 7.7946 122.2357 57.6116 29.2809 176.5532 98 D 4.9545 8.0635 117.7559 54.3107 41.4120 176.1067 99 M 4.3882 8.0511 125.2789 55.7353 33.1389 174.9410 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 M 8.30 4.44 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 1 I 8.08 3.63 1.80 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 1.40 0.62 0.87 0.00 0.00 2 Q 9.26 4.88 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.61 0.00 3 R 9.43 4.79 0.00 1.85 1.94 0.00 3.17 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 4 T 8.88 4.94 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 1.24 0.00 0.00 5 P 0.00 4.83 0.00 1.95 1.70 0.00 3.72 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.73 0.00 6 K 9.25 4.43 0.00 1.75 1.82 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.48 7.81 7 I 8.29 5.19 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.96 0.00 0.00 8 Q 9.37 4.79 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 9 V 8.44 5.10 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 0.90 0.00 0.00 1.08 0.00 0.00 10 Y 8.47 5.26 0.00 3.19 3.11 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 11 S 9.15 5.00 0.00 4.33 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 12 R 9.01 4.14 0.00 1.86 2.28 0.00 3.25 0.00 0.00 3.07 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 13 H 8.58 5.07 0.00 3.33 3.23 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 14 P 0.00 4.33 0.00 2.10 2.08 0.00 3.78 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 2.09 2.17 0.00 15 A 8.72 4.30 1.62 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 16 E 8.53 4.60 0.00 1.97 1.81 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 2.31 2.52 0.00 17 N 8.92 4.66 0.00 2.72 2.80 0.00 0.00 7.21 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 18 G 9.13 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 0.00 0.00 0.00 19 K 7.64 4.56 0.00 1.80 1.66 0.00 1.94 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.47 7.81 20 S 8.29 4.15 0.00 3.75 3.78 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 21 N 8.46 4.95 0.00 2.55 2.54 0.00 0.00 7.02 7.33 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 22 F 8.95 5.31 0.00 3.00 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 23 L 8.60 4.08 0.00 0.27 0.58 -0.20 -0.22 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 24 N 8.89 5.38 0.00 1.44 1.99 0.00 0.00 6.02 8.30 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 25 C 9.37 5.34 0.00 2.90 2.97 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 26 Y 9.44 5.46 0.00 3.42 3.18 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 27 V 8.71 5.09 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 0.65 0.00 0.00 1.02 0.00 0.00 28 S 8.98 4.99 0.00 3.86 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 29 G 8.57 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 0.00 0.00 0.00 0.00 30 F 7.43 5.32 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 31 H 8.92 5.29 0.00 3.29 3.21 0.00 5.58 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.95 0.00 2.16 2.18 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 33 S 8.50 4.16 0.00 3.25 2.63 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 34 D 7.93 4.44 0.00 2.67 2.64 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 35 I 7.96 4.65 1.50 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.51 0.83 0.00 0.00 36 E 9.02 4.64 0.00 1.81 1.72 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 2.15 2.28 0.00 37 V 7.96 4.46 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 0.34 0.00 0.00 0.44 0.00 0.00 38 D 9.00 5.01 0.00 2.51 2.46 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 0.00 39 L 8.32 5.04 0.00 1.56 1.51 0.84 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.01 5.19 0.00 1.54 1.52 0.92 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.95 4.25 0.00 1.83 1.61 0.00 1.92 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.11 0.80 7.81 42 N 9.87 4.13 0.00 2.74 2.79 0.00 0.00 7.24 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 43 G 8.64 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 *44 E 7.68 4.65 0.00 1.90 1.81 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 2.15 2.08 0.00 45 R 8.52 4.34 0.00 1.74 1.87 0.00 3.41 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 46 I 8.54 4.10 1.95 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 1.22 0.78 0.92 0.00 0.00 *47 E 8.96 4.05 0.00 1.99 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 2.23 1.86 0.00 48 K 7.71 4.37 0.00 1.70 1.76 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.35 7.81 49 V 7.86 4.53 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 1.00 0.00 0.00 0.94 0.00 0.00 50 E 8.44 4.68 0.00 1.16 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 51 H 7.71 5.16 0.00 2.18 1.83 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.79 4.56 0.00 3.98 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 53 D 8.48 4.53 0.00 2.70 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 54 L 8.53 3.96 0.00 1.61 1.61 0.77 0.57 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 55 S 8.21 4.75 0.00 3.81 2.93 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 56 F 7.64 5.25 0.00 2.82 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 57 S 9.24 4.69 0.00 4.10 3.88 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 0.00 0.00 0.00 *58 K 8.52 3.92 0.00 1.77 1.74 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.01 7.81 59 D 7.82 4.51 0.00 2.77 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 60 W 7.86 3.75 0.00 3.29 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 61 S 8.12 4.36 0.00 3.86 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 62 F 8.57 5.00 0.00 1.67 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.35 5.47 0.00 3.00 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 64 L 9.52 5.14 0.00 1.91 1.66 1.14 0.60 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 65 L 9.34 5.38 0.00 2.04 1.73 1.13 0.72 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 66 Y 9.32 5.15 0.00 3.10 2.85 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 67 Y 8.59 5.39 0.00 3.04 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 68 T 8.78 5.08 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 1.09 0.00 0.00 69 E 8.65 3.99 0.00 1.71 1.57 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 1.47 1.93 0.00 70 F 8.94 4.85 0.00 2.83 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 71 T 8.22 4.48 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 72 P 0.00 4.54 0.00 2.25 2.14 0.00 3.43 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.68 0.00 73 T 8.59 4.97 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 1.30 0.00 0.00 *74 E 9.00 3.94 0.00 2.01 1.92 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 2.23 1.88 0.00 75 K 7.26 4.45 0.00 1.93 1.98 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.41 7.81 76 D 7.94 4.59 0.00 2.95 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 0.00 0.00 0.00 77 E 8.90 4.93 0.00 1.89 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 2.28 2.41 0.00 78 Y 8.98 5.37 0.00 3.03 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 79 A 8.81 5.14 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 80 C 9.29 5.35 0.00 2.98 2.93 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 81 R 9.12 5.07 0.00 1.81 1.67 0.00 3.05 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 82 V 8.72 4.81 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 0.80 0.00 0.00 0.82 0.00 0.00 83 N 8.90 5.28 0.00 2.77 2.52 0.00 0.00 6.37 8.66 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 84 H 8.40 4.90 0.00 3.06 3.03 0.00 5.74 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.11 3.57 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 0.71 0.00 0.00 0.82 0.00 0.00 86 T 8.00 4.15 4.31 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 1.37 0.00 0.00 87 L 7.69 4.95 0.00 1.90 1.80 0.89 0.77 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 88 S 8.83 4.30 0.00 3.97 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 89 Q 7.54 4.62 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 90 P 0.00 4.46 0.00 1.93 2.01 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 91 K 8.95 4.48 0.00 1.86 1.64 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.45 7.81 92 I 8.38 4.92 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.75 0.93 0.00 0.00 93 V 8.61 4.45 2.15 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 1.16 0.00 0.00 0.97 0.00 0.00 94 K 8.72 4.70 0.00 1.75 1.81 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.48 7.81 95 W 9.31 4.62 0.00 3.27 3.45 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 0.00 96 D 8.57 4.53 0.00 2.62 2.43 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 97 R 7.79 3.60 0.00 1.76 0.84 0.00 2.94 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.46 0.00 98 D 8.06 4.95 0.00 2.68 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 99 M 8.05 4.39 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.