NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5552 8.3601 120.2063 54.0187 43.1115 176.1329 2 A 4.0026 8.2100 120.2202 51.3933 19.7412 174.6028 3 D 4.4309 8.0782 114.7913 54.6992 40.1001 171.0921 4 P 4.5017 0.0000 0.0000 65.9552 31.5994 177.8768 5 T 4.1109 8.1651 115.2396 66.5325 68.1329 175.8875 6 F 4.2496 8.4721 120.4179 61.5221 39.2903 176.2848 7 D 4.6830 8.3315 118.2960 57.3464 40.5758 178.3898 8 F 3.2655 8.5660 121.3100 61.3491 39.0025 177.2054 9 I 3.2647 7.7775 118.6392 63.4930 36.6066 178.0407 10 G 2.9810 7.7088 105.9245 46.2354 0.0000 173.7659 11 Y 4.2669 8.0643 119.0736 57.6557 38.0372 174.4170 12 L 5.1563 6.8954 119.2111 52.9748 44.3058 175.8289 13 E 4.8427 9.0914 121.3467 54.7504 33.5285 175.2617 14 T 4.9253 8.4542 112.4213 60.8342 70.7103 173.7610 15 L 4.8406 8.8287 122.6082 52.2300 44.5536 176.0085 16 P 4.2408 0.0000 0.0000 65.4143 31.5223 176.3135 17 Q 4.5350 7.3258 113.4351 54.9564 31.6053 175.1540 18 T 4.1438 8.1838 114.5052 62.6359 64.5485 173.7370 19 S 4.6271 7.6400 112.7893 57.1622 65.4929 176.6590 20 G 4.0331 8.1550 113.9018 46.6518 0.0000 173.8588 21 M 4.4740 9.2474 123.2983 56.0100 33.6511 175.1128 22 Y 4.8662 8.9313 118.4222 56.7697 40.4026 175.7494 23 M 4.7371 8.8556 124.7670 54.0034 29.8516 178.4672 24 G 4.1228 8.4294 111.6139 44.6336 0.0000 169.3306 25 N 4.3704 8.1077 117.3171 51.6711 39.6908 175.5103 26 A 3.8168 8.2888 121.6865 55.2262 18.7626 179.2701 27 S 4.0596 8.5647 110.6936 61.2881 62.4823 173.6316 28 I 3.6434 7.0472 122.0797 61.4834 38.0690 175.4770 29 I 3.5728 8.9550 129.9037 61.8895 35.6494 175.0112 30 P 4.2355 0.0000 0.0000 62.4594 31.0450 176.1535 31 R 4.1806 8.1915 121.8492 55.8202 30.6810 177.1063 32 N 4.7043 8.4691 117.7208 51.6834 39.3392 174.2108 33 Y 4.5377 7.5332 121.3330 60.3426 38.4332 177.9697 34 R 4.2952 7.9684 117.1196 57.4043 31.1485 177.3670 35 K 4.0341 7.9303 117.7245 57.8573 32.7976 175.6852 36 Y 5.4111 7.7317 117.2802 56.0969 39.6269 175.9798 37 L 4.2163 9.7610 128.1584 58.7860 42.1755 178.5536 38 Y 3.7710 8.3325 118.6943 61.0521 38.6789 177.6911 39 H 4.2719 8.6646 116.4474 58.7185 28.9467 177.3200 40 A 4.3315 8.7388 123.0724 55.5076 18.2919 178.7061 41 Y 2.3900 8.0961 118.2287 60.4676 38.5506 178.3721 42 L 3.1584 7.2822 119.2716 57.5807 41.6205 179.3745 43 A 3.5904 7.7724 120.5056 55.2127 17.9295 178.9622 44 Y 3.3666 7.2053 116.6742 60.7325 39.0875 177.4821 45 M 3.4640 7.1863 119.4105 58.3972 32.1023 178.3649 46 E 3.7581 7.9147 118.8106 59.3996 29.5418 178.8120 47 A 4.0422 7.7570 119.4630 54.2391 18.3303 178.3026 48 N 4.8231 7.4344 113.2486 52.5629 39.2774 174.9954 49 G 3.7041 7.9212 107.3812 46.9777 0.0000 173.6009 50 Y 4.4328 8.0671 116.8433 55.9099 39.6818 176.3323 51 R 4.0794 8.5720 123.6894 57.1886 30.9244 176.0088 52 N 4.8141 8.0445 114.8954 51.6755 39.1561 174.3294 53 V 4.5405 7.9078 116.2330 58.7905 34.5611 176.0709 54 L 4.2549 8.2570 123.1116 54.8254 42.1347 178.2729 55 S 4.6187 8.5742 117.4546 57.6636 65.1903 175.2280 56 L 3.7338 8.2598 123.2403 58.0082 41.7043 178.6670 57 K 3.9992 8.0815 118.1637 60.5665 32.2935 178.6158 58 M 4.0399 8.0710 120.3488 57.6824 31.8675 178.3988 59 F 4.1094 9.1775 121.4968 61.2431 39.3168 177.0861 60 G 3.7457 8.7438 104.7654 48.0279 0.0000 175.0413 61 L 4.2048 7.6933 120.5781 57.3518 41.9502 179.7347 62 G 3.5718 8.1936 105.4603 48.4203 0.0000 175.1837 63 L 3.1775 7.5277 121.5089 57.1685 42.0923 176.9012 64 P 4.0688 0.0000 0.0000 66.1815 31.0787 178.4298 65 V 3.5063 7.5542 117.1341 66.0880 31.6970 177.6731 66 M 4.2594 8.1886 118.3449 58.4423 31.6944 178.9485 67 L 4.0061 8.0658 119.1796 57.7393 41.8598 179.3834 68 K 4.0911 8.1141 119.5545 59.5950 31.8354 178.4976 69 E 4.1381 8.1586 118.1890 59.3458 29.5038 178.0115 70 Y 4.4281 7.7653 113.3011 57.2812 38.2493 175.7358 71 G 3.8934 8.5198 108.3932 46.5916 0.0000 173.6367 72 L 4.7245 8.1080 118.1699 52.5131 44.4348 176.3822 73 N 4.8179 8.3791 118.4440 51.4546 39.0362 174.4639 74 Y 4.3268 8.4408 124.9057 57.6577 39.8576 175.1371 75 E 4.3462 8.5297 125.5954 54.7176 33.7062 174.8202 76 K 4.8199 7.8569 123.4090 55.3372 36.0491 175.5717 77 R 4.3894 8.1075 119.7997 56.2563 33.9740 174.0917 *78 H 5.0162 8.9904 126.2371 55.4846 28.7168 171.3716 79 T 4.7352 9.7808 115.9466 59.4340 72.0583 174.6122 80 K 3.9953 8.9611 125.2591 58.4875 31.8117 178.2101 81 Q 4.2986 8.4238 115.7386 56.1390 29.5252 180.7141 82 G 4.5058 6.9742 108.8838 46.2718 0.0000 174.7411 83 I 5.1872 8.2924 127.8464 59.2574 39.2328 172.6648 84 Q 4.5266 9.1852 128.6900 54.5809 31.7588 175.1244 85 T 5.1316 9.2396 123.2279 61.0846 72.0065 174.1598 86 N 5.2731 8.2778 117.5881 53.1424 38.1062 174.1087 87 L 5.5104 7.9834 117.9593 54.4372 45.7624 175.9397 88 T 4.9998 8.8918 111.2244 59.9036 72.8380 172.7984 89 L 4.6950 8.4984 122.8521 54.3607 42.4481 177.2617 90 K 4.3285 9.1074 123.6380 56.3446 33.3096 177.9646 91 E 4.0716 9.0822 121.5508 59.8094 29.5289 178.4523 92 E 4.0180 8.4476 117.0484 59.7662 29.0827 179.0922 93 S 3.6759 7.9932 115.9017 61.7347 62.5862 176.0105 94 Y 3.7632 7.8711 118.3146 61.0400 37.7082 178.7839 95 G 3.8246 7.9694 104.3995 47.2246 0.0000 175.3842 96 D 4.6943 8.1539 120.8304 56.4761 41.1422 177.5080 97 W 5.1232 7.2754 111.9779 56.1058 30.4847 175.7178 98 L 3.6812 6.7784 118.3503 54.3227 41.2610 175.3093 99 P 4.3820 0.0000 0.0000 62.7317 32.0459 176.5430 100 K 4.2213 8.5184 119.5672 56.6932 32.1870 176.6369 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 1 D 8.36 4.56 0.00 2.68 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 2 A 8.21 4.00 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 3 D 8.08 4.43 0.00 2.94 2.74 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 4 P 0.00 4.50 0.00 1.76 1.31 0.00 3.99 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 1.96 1.40 0.00 5 T 8.17 4.11 4.36 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 1.20 0.00 0.00 6 F 8.47 4.25 0.00 3.24 3.39 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 7 D 8.33 4.68 0.00 3.15 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 8 F 8.57 3.27 0.00 2.90 3.34 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 9 I 7.78 3.26 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.96 0.54 0.00 0.00 10 G 7.71 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 0.00 0.00 0.00 11 Y 8.06 4.27 0.00 2.94 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 12 L 6.90 5.16 0.00 1.35 1.41 0.80 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.09 4.84 0.00 1.95 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 2.17 2.16 0.00 14 T 8.45 4.93 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 1.29 0.00 0.00 15 L 8.83 4.84 0.00 1.69 1.55 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.24 0.00 2.01 2.13 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 17 Q 7.33 4.53 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.43 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 18 T 8.18 4.14 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 1.14 0.00 0.00 19 S 7.64 4.63 0.00 3.91 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 20 G 8.15 4.03 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 0.00 0.00 0.00 21 M 9.25 4.47 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.77 0.00 22 Y 8.93 4.87 0.00 3.17 3.12 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 23 M 8.86 4.74 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.73 0.00 24 G 8.43 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 25 N 8.11 4.37 0.00 2.75 2.77 0.00 0.00 5.87 7.46 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 26 A 8.29 3.82 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 27 S 8.56 4.06 0.00 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 0.00 28 I 7.05 3.64 1.81 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.47 0.65 0.00 0.00 29 I 8.96 3.57 1.86 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 1.40 1.30 0.90 0.00 0.00 30 P 0.00 4.24 0.00 2.04 2.04 0.00 3.68 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 2.03 2.16 0.00 31 R 8.19 4.18 0.00 1.29 1.60 0.00 3.39 0.00 0.00 3.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00 32 N 8.47 4.70 0.00 2.84 2.73 0.00 0.00 6.96 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 33 Y 7.53 4.54 0.00 3.12 3.13 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 34 R 7.97 4.30 0.00 1.83 2.04 0.00 3.25 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 35 K 7.93 4.03 0.00 1.65 1.24 0.00 1.32 0.00 0.00 0.98 0.00 0.00 2.49 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.30 1.09 7.81 36 Y 7.73 5.41 0.00 3.03 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 37 L 9.76 4.22 0.00 2.11 2.03 1.23 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.33 3.77 0.00 3.16 3.09 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 0.00 0.00 0.00 39 H 8.66 4.27 0.00 3.83 3.67 0.00 5.88 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 40 A 8.74 4.33 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 0.00 0.00 0.00 0.00 0.00 41 Y 8.10 2.39 0.00 2.11 2.20 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 42 L 7.28 3.16 0.00 1.59 1.40 0.85 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.77 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.21 3.37 0.00 1.57 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.19 3.46 0.00 1.70 1.50 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.60 0.00 46 E 7.91 3.76 0.00 1.88 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 2.21 2.38 0.00 47 A 7.76 4.04 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 48 N 7.43 4.82 0.00 2.22 2.82 0.00 0.00 7.02 7.23 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 49 G 7.92 3.70 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 0.00 0.00 0.00 50 Y 8.07 4.43 0.00 2.70 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 51 R 8.57 4.08 0.00 1.74 1.94 0.00 3.16 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 52 N 8.04 4.81 0.00 2.74 2.80 0.00 0.00 6.75 7.68 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 53 V 7.91 4.54 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 0.45 0.00 0.00 0.89 0.00 0.00 54 L 8.26 4.25 0.00 1.94 1.84 1.02 0.93 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 55 S 8.57 4.62 0.00 4.09 4.08 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 56 L 8.26 3.73 0.00 1.15 1.51 0.75 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.08 4.00 0.00 2.03 2.08 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.59 7.81 58 M 8.07 4.04 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.74 0.00 59 F 9.18 4.11 0.00 3.29 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 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 61 L 7.69 4.20 0.00 1.86 1.72 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.19 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.53 3.18 0.00 1.47 0.92 0.49 0.85 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 64 P 0.00 4.07 0.00 2.29 2.30 0.00 3.47 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 65 V 7.55 3.51 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 1.07 0.00 0.00 0.95 0.00 0.00 66 M 8.19 4.26 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.96 0.00 67 L 8.07 4.01 0.00 1.92 1.74 0.92 0.77 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 68 K 8.11 4.09 0.00 2.03 1.92 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.52 7.81 69 E 8.16 4.14 0.00 2.40 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 2.50 2.71 0.00 70 Y 7.77 4.43 0.00 2.98 2.89 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 71 G 8.52 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 72 L 8.11 4.72 0.00 1.62 1.57 0.83 1.16 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 73 N 8.38 4.82 0.00 2.70 2.78 0.00 0.00 6.90 7.46 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 74 Y 8.44 4.33 0.00 2.82 2.89 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 75 E 8.53 4.35 0.00 1.88 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 76 K 7.86 4.82 0.00 1.70 1.55 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.60 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.23 1.35 7.81 77 R 8.11 4.39 0.00 1.78 1.81 0.00 3.11 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 *78 H 8.99 5.02 0.00 2.74 2.84 0.00 7.22 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 9.78 4.74 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 80 K 8.96 4.00 0.00 1.79 1.79 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.03 7.81 81 Q 8.42 4.30 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.13 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 82 G 6.97 4.51 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 0.00 0.00 0.00 83 I 8.29 5.19 2.02 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 1.30 1.05 1.00 0.00 0.00 84 Q 9.19 4.53 0.00 1.13 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.58 0.00 0.00 0.00 0.00 0.00 1.94 1.77 0.00 85 T 9.24 5.13 4.39 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 1.46 0.00 0.00 86 N 8.28 5.27 0.00 2.78 2.88 0.00 0.00 5.72 6.67 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 87 L 7.98 5.51 0.00 1.65 1.59 1.09 0.64 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 88 T 8.89 5.00 4.28 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 1.22 0.00 0.00 89 L 8.50 4.69 0.00 1.50 1.52 0.79 1.03 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 90 K 9.11 4.33 0.00 1.62 2.03 0.00 1.50 0.00 0.00 1.49 0.00 0.00 2.65 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.35 7.81 91 E 9.08 4.07 0.00 2.08 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 2.38 2.47 0.00 92 E 8.45 4.02 0.00 2.49 2.28 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 2.30 2.20 0.00 93 S 7.99 3.68 0.00 3.41 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 94 Y 7.87 3.76 0.00 3.11 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 95 G 7.97 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 0.00 0.00 0.00 96 D 8.15 4.69 0.00 2.97 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 97 W 7.28 5.12 0.00 3.53 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 98 L 6.78 3.68 0.00 1.03 1.32 -0.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.38 0.00 2.25 2.06 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.94 0.00 100 K 8.52 4.22 0.00 1.76 1.73 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.