NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2996 8.3149 122.1386 53.1858 34.6687 174.7196 4 I 4.2365 7.2064 121.2055 59.2511 39.1586 173.8860 5 I 3.7808 9.1880 128.6563 61.6885 38.6356 174.7891 6 H 5.2610 8.4124 122.7339 53.1380 28.3168 172.9371 7 L 4.2324 8.1199 122.5268 55.4927 42.9702 176.1136 8 T 4.6240 9.2355 112.9533 59.7853 70.8581 173.8338 9 D 4.5698 9.1414 126.8936 57.2663 40.5689 179.4601 10 D 4.4222 8.0404 117.1023 57.1366 40.6580 178.3702 11 S 4.3470 8.0551 114.1768 60.5026 63.3241 175.7624 12 F 3.8632 8.8128 124.9586 61.7459 39.2080 176.1880 13 D 4.1162 8.8306 113.4966 59.4577 41.1294 177.5021 14 T 4.1374 8.3289 112.4828 63.8908 69.3462 175.4486 15 D 4.7516 7.4374 123.2272 55.7603 41.8093 182.2378 16 V 4.1360 7.4208 117.6389 63.2031 32.5145 177.9532 17 L 3.9297 7.2070 119.5514 57.1163 41.3828 179.0085 18 K 4.4602 7.7999 115.1900 56.0491 32.0431 178.1778 19 A 3.5919 7.7324 127.5948 53.9414 18.4657 181.5912 20 D 4.6924 7.6533 117.1346 54.3288 39.9213 179.4484 21 G 3.9852 8.8286 107.8670 44.6768 0.0000 171.4480 22 A 4.9574 8.4612 121.3425 50.3365 21.4191 176.2880 23 I 5.3304 8.3789 123.4937 58.9367 40.4705 175.0845 24 L 4.7660 8.5135 130.1493 53.7352 41.9585 174.4807 25 V 3.9800 8.9504 125.5142 62.5030 33.1988 173.9276 26 D 5.2163 8.8849 127.7057 52.3582 43.1075 174.5578 27 F 5.4343 9.5856 125.4795 57.0616 40.3841 175.2321 28 W 5.1513 7.7649 118.1447 57.6880 31.3354 172.5957 29 A 3.7509 8.3875 116.9054 51.7572 20.7141 177.2953 30 E 4.3265 8.8797 122.2604 57.7238 29.5619 177.5323 31 W 4.7162 7.0449 114.8640 56.5449 29.4704 175.9324 32 C 4.7788 7.7700 121.3191 58.4521 32.0695 173.1977 33 G 3.7381 8.9424 115.6221 47.6438 0.0000 173.0402 34 P 4.2528 0.0000 0.0000 65.4043 31.2401 178.3864 35 C 4.0959 7.4537 113.7423 62.8277 28.1210 175.9152 36 K 4.0976 8.1708 122.6252 59.8948 31.4731 179.2672 37 M 4.1803 7.7662 120.7523 59.5752 31.6498 182.3367 38 I 3.9024 8.2378 119.7881 63.8484 38.1494 176.7110 39 A 3.6780 7.6204 119.9657 55.6397 17.9888 177.3863 40 P 4.1504 0.0000 0.0000 65.7954 31.2977 178.3555 41 I 3.6209 7.7729 118.8021 64.6246 37.0596 177.8775 42 L 3.9089 8.0361 119.2830 57.8636 41.4404 179.3402 43 D 4.2928 7.9683 120.0762 58.1695 41.1657 178.9736 44 E 4.1325 8.2545 118.6057 60.9484 29.4498 180.8519 45 I 3.8658 7.7484 118.7910 64.3737 36.8874 178.0290 46 A 4.1698 8.0806 124.3060 55.7355 18.1659 180.1440 47 D 4.2838 7.8521 120.6661 59.1016 39.8209 180.6319 48 E 4.7469 8.2276 118.4747 59.3205 29.6802 179.2239 *49 Y 4.8838 7.6712 114.4320 57.1491 39.7520 179.3289 50 Q 4.1261 7.3630 118.9255 59.1460 29.4119 175.6586 51 G 4.2965 9.3963 115.8646 46.4224 0.0000 175.2858 52 K 4.2744 7.6776 119.0987 55.1060 32.5927 178.2241 53 L 4.9084 8.0348 119.0783 53.5065 45.3219 176.1377 54 T 4.5072 8.8863 122.3547 61.8580 71.1764 173.2484 55 V 4.4618 8.3419 126.9534 61.3621 33.5010 174.2017 56 A 5.0968 8.2686 128.7042 50.1251 21.6975 174.7761 57 K 4.9552 9.1356 122.8325 55.2137 34.8307 175.9166 58 L 4.7673 8.9436 125.0216 53.4570 45.3920 174.8829 59 N 3.5363 8.6563 125.6667 52.7317 40.1074 174.7643 60 I 4.4519 7.8081 117.8912 60.2715 37.8834 175.8375 61 D 4.7180 8.1760 123.1725 55.6663 41.9983 177.4219 62 Q 4.2959 10.7000 116.4126 56.9085 29.3161 175.8709 63 N 5.5704 7.6988 114.1436 49.9198 39.2074 172.8511 64 P 4.4830 0.0000 0.0000 63.6597 32.4693 178.7013 65 G 3.6799 8.2794 108.1498 48.6385 0.0000 175.0125 66 T 3.5360 8.7905 118.4131 65.9688 69.0904 176.0225 67 A 4.2986 8.2437 123.1646 55.3678 18.8220 176.2582 68 P 4.6281 0.0000 0.0000 62.1232 28.7156 175.7915 69 K 4.2365 7.1437 121.6203 54.6241 36.8424 176.2633 70 Y 4.8625 7.8315 115.9620 58.5199 38.3622 176.1278 71 G 3.9656 8.4651 104.9351 45.9539 0.0000 173.7940 72 I 3.4783 7.1586 121.0951 62.5873 37.1021 176.6577 73 R 4.6407 8.5679 121.2051 55.4630 31.5245 171.0046 74 G 4.3786 7.5413 102.0127 45.7299 0.0000 172.1752 75 I 4.7635 7.7918 111.3459 58.6137 40.0672 173.8055 76 P 4.8966 0.0000 0.0000 61.9108 29.8989 174.5079 77 T 3.9836 8.4541 123.9519 64.6104 69.7760 172.5188 78 L 5.2462 9.1016 126.9906 52.9501 44.6058 175.5147 79 L 5.1637 9.1320 125.5496 53.5542 45.6612 176.3320 80 L 5.0692 8.6322 125.9675 53.2843 42.4622 173.2960 81 F 4.3490 9.9966 128.5762 56.9650 40.1082 176.5176 82 K 4.7261 7.8625 124.9697 53.4761 31.9022 169.6196 83 N 4.0782 8.8166 124.6497 53.6684 36.8528 173.4758 84 G 4.2959 8.8960 120.1393 46.3765 0.0000 172.4360 85 E 4.6816 7.4946 114.7765 52.9021 32.5887 176.7553 86 V 3.0719 7.8033 116.9322 63.8815 32.1356 175.4883 87 A 4.2836 8.3470 129.6074 54.3080 19.0651 177.3211 88 A 4.7652 7.5771 115.4531 50.7676 22.8662 174.9005 89 T 5.1748 8.3799 111.8977 60.7255 72.1039 174.3957 90 K 4.4752 8.9497 125.9480 54.4285 36.7368 174.2901 91 V 4.3645 10.0578 126.2314 60.7604 32.6377 175.5578 92 G 4.2493 8.2909 114.3473 43.8697 0.0000 173.1000 93 A 4.4823 7.6724 123.9975 49.9673 17.4065 176.3636 94 L 4.1910 7.7364 120.5840 54.0742 42.9518 178.0430 95 S 4.2991 9.2123 121.6670 58.8280 63.3457 176.3340 96 K 4.1780 8.6964 123.5063 57.0110 31.5373 179.3937 97 G 4.0224 7.8992 102.5579 46.8917 0.0000 175.7271 98 Q 4.0951 7.9848 122.2301 59.3445 28.7173 179.3461 99 L 4.0982 8.6916 126.2345 59.9885 40.6358 182.2645 100 K 4.4117 8.2220 126.2978 59.4721 31.3933 180.9738 101 E 4.5321 7.8693 119.0942 61.6195 29.9402 184.4705 *102 F 4.3895 8.1165 122.9061 62.8201 38.0458 179.6462 103 L 4.4174 8.8368 125.6057 58.4317 40.2902 182.6526 104 D 4.7052 8.1582 115.4239 56.4550 40.2140 181.2695 105 A 4.3838 7.5987 119.3712 53.3347 18.2308 177.5518 106 N 4.8625 9.4007 114.6241 53.2685 41.5465 175.2613 107 L 4.3342 7.4003 121.8491 54.1613 41.3065 180.0480 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 K 8.31 4.30 0.00 1.79 1.68 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 4 I 7.21 4.24 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.06 0.77 0.00 0.00 5 I 9.19 3.78 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.45 0.87 0.00 0.00 6 H 8.41 5.26 0.00 3.04 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.12 4.23 0.00 1.55 1.74 0.92 0.61 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 8 T 9.24 4.62 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 1.27 0.00 0.00 9 D 9.14 4.57 0.00 2.71 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 10 D 8.04 4.42 0.00 2.66 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 11 S 8.06 4.35 0.00 4.05 4.13 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 12 F 8.81 3.86 0.00 3.13 3.14 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 13 D 8.83 4.12 0.00 2.88 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 14 T 8.33 4.14 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 15 D 7.44 4.75 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.42 4.14 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 -0.92 0.00 0.00 0.22 0.00 0.00 17 L 7.21 3.93 0.00 1.91 1.78 1.15 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.80 4.46 0.00 1.75 1.78 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.35 7.81 19 A 7.73 3.59 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 20 D 7.65 4.69 0.00 2.86 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 21 G 8.83 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 0.00 0.00 0.00 22 A 8.46 4.96 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 23 I 8.38 5.33 1.78 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 1.06 1.58 0.90 0.00 0.00 24 L 8.51 4.77 0.00 1.81 1.59 1.01 0.89 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 25 V 8.95 3.98 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 0.69 0.00 0.00 0.58 0.00 0.00 26 D 8.88 5.22 0.00 2.88 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 27 F 9.59 5.43 0.00 3.11 3.05 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 28 W 7.76 5.15 0.00 3.35 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 29 A 8.39 3.75 -0.18 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 0.00 0.00 30 E 8.88 4.33 0.00 2.05 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 2.74 2.48 0.00 31 W 7.04 4.72 0.00 3.48 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 32 C 7.77 4.78 0.00 2.67 2.71 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 33 G 8.94 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 0.00 0.00 0.00 34 P 0.00 4.25 0.00 2.20 2.17 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 35 C 7.45 4.10 0.00 3.21 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 36 K 8.17 4.10 0.00 1.75 2.08 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.44 7.81 37 M 7.77 4.18 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.16 0.00 38 I 8.24 3.90 1.86 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 1.42 1.14 0.97 0.00 0.00 39 A 7.62 3.68 1.18 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 0.00 0.00 40 P 0.00 4.15 0.00 2.23 2.29 0.00 3.89 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 2.10 2.03 0.00 41 I 7.77 3.62 2.08 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.85 0.94 0.00 0.00 42 L 8.04 3.91 0.00 1.79 1.66 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.97 4.29 0.00 2.67 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 44 E 8.25 4.13 0.00 2.03 1.94 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 2.24 2.22 0.00 45 I 7.75 3.87 1.95 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 1.71 1.20 0.90 0.00 0.00 46 A 8.08 4.17 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 47 D 7.85 4.28 0.00 2.75 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 48 E 8.23 4.75 0.00 2.05 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 2.26 2.19 0.00 *49 Y 7.67 4.88 0.00 2.15 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 50 Q 7.36 4.13 0.00 1.85 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.36 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 51 G 9.40 4.30 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 0.00 52 K 7.68 4.27 0.00 1.78 1.72 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.31 0.98 7.81 53 L 8.03 4.91 0.00 1.56 1.49 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.89 4.51 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 1.16 0.00 0.00 55 V 8.34 4.46 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 0.93 0.00 0.00 0.90 0.00 0.00 56 A 8.27 5.10 1.15 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 0.00 0.00 57 K 9.14 4.96 0.00 1.65 1.91 0.00 0.61 0.00 0.00 1.04 0.00 0.00 2.47 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.40 1.19 7.81 58 L 8.94 4.77 0.00 1.65 1.14 0.81 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.66 3.54 0.00 1.44 2.10 0.00 0.00 6.80 7.82 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 60 I 7.81 4.45 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.59 1.06 0.00 0.00 61 D 8.18 4.72 0.00 2.56 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 62 Q 10.70 4.30 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.10 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 63 N 7.70 5.57 0.00 2.86 2.87 0.00 0.00 6.93 7.91 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 64 P 0.00 4.48 0.00 2.17 2.16 0.00 3.88 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 65 G 8.28 3.68 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 0.00 0.00 0.00 66 T 8.79 3.54 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 0.28 0.00 0.00 67 A 8.24 4.30 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 68 P 0.00 4.63 0.00 2.01 2.02 0.00 3.79 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 2.20 2.08 0.00 69 K 7.14 4.24 0.00 1.71 1.63 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.16 0.91 7.81 70 Y 7.83 4.86 0.00 2.80 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 71 G 8.47 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 0.00 0.00 0.00 72 I 7.16 3.48 1.82 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.38 0.92 0.00 0.00 73 R 8.57 4.64 0.00 1.77 1.75 0.00 3.27 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 74 G 7.54 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 0.00 0.00 0.00 0.00 75 I 7.79 4.76 1.91 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.55 0.98 0.00 0.00 76 P 0.00 4.90 0.00 2.23 2.19 0.00 3.42 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.86 0.00 77 T 8.45 3.98 4.19 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 1.09 0.00 0.00 78 L 9.10 5.25 0.00 1.69 1.62 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 79 L 9.13 5.16 0.00 2.02 1.49 0.88 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.63 5.07 0.00 1.32 1.58 0.92 0.86 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 81 F 10.00 4.35 0.00 3.11 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 82 K 7.86 4.73 0.00 1.51 1.54 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.24 7.81 83 N 8.82 4.08 0.00 2.88 2.98 0.00 0.00 7.30 7.98 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 84 G 8.90 4.30 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 0.00 85 E 7.49 4.68 0.00 1.88 1.82 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 2.22 1.83 0.00 86 V 7.80 3.07 1.83 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 0.73 0.00 0.00 0.11 0.00 0.00 87 A 8.35 4.28 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 88 A 7.58 4.77 1.17 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 0.00 0.00 89 T 8.38 5.17 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 1.11 0.00 0.00 90 K 8.95 4.48 0.00 1.42 1.66 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 1.25 7.81 91 V 10.06 4.36 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 0.96 0.00 0.00 0.93 0.00 0.00 92 G 8.29 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 0.00 0.00 0.00 0.00 93 A 7.67 4.48 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 94 L 7.74 4.19 0.00 1.65 1.63 0.93 0.99 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 95 S 9.21 4.30 0.00 3.94 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 96 K 8.70 4.18 0.00 1.77 1.75 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.03 7.81 97 G 7.90 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 98 Q 7.98 4.10 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 99 L 8.69 4.10 0.00 1.60 1.67 0.92 0.88 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 0.00 100 K 8.22 4.41 0.00 1.75 1.85 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 101 E 7.87 4.53 0.00 1.95 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 2.19 2.18 0.00 *102 F 8.12 4.39 0.00 2.38 2.23 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 0.00 103 L 8.84 4.42 0.00 1.61 1.58 0.92 0.92 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 0.00 104 D 8.16 4.71 0.00 2.64 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 0.00 105 A 7.60 4.38 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 0.00 106 N 9.40 4.86 0.00 2.65 2.79 0.00 0.00 6.67 7.73 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 0.00 107 L 7.40 4.33 0.00 1.64 1.41 0.92 0.74 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 * Residues marked with a * may have inaccurate shift predictions.