NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 Q 4.1806 8.3331 118.7956 55.8500 31.2722 173.7164 8 G 3.8460 8.9135 109.3378 45.4099 0.0000 172.8067 *9 H 4.9459 9.8895 114.4101 54.6797 30.7629 176.2828 10 M 4.5907 8.1742 121.5327 56.6890 33.9430 176.2575 11 V 4.8960 7.5101 117.4625 60.6081 33.7115 175.2210 12 S 4.4142 8.8750 122.1716 57.4438 63.8197 174.8804 13 A 3.9550 8.5445 123.1529 55.4502 17.9497 178.5038 14 E 4.1357 8.1614 112.3941 56.8797 29.9656 177.6086 15 G 4.0302 8.5694 108.2799 45.8149 0.0000 173.9265 16 R 5.4517 8.0438 118.5892 54.1386 31.3894 175.3885 17 N 4.2773 8.1389 117.6529 52.8856 37.3995 176.0465 18 R 4.0014 9.0817 124.7922 58.3257 30.6660 177.3852 19 K 4.6557 7.7149 115.8658 54.1424 34.7529 176.5921 20 A 4.2040 8.4094 124.0686 52.2801 19.9430 176.5853 21 V 4.7200 8.6189 120.9851 61.2952 33.6098 174.8496 22 L 5.3247 8.9187 127.1728 52.4992 46.3582 175.4892 23 C 4.3353 8.9352 122.4416 60.0108 31.8274 174.9711 24 Q 4.1546 8.7921 124.6020 58.4705 28.8112 177.9412 25 R 4.1733 8.0293 116.1765 58.3139 30.3820 176.8039 26 C 4.6707 7.8530 107.9274 56.9117 30.8106 174.7987 27 G 3.9108 8.3550 108.7916 45.0342 0.0000 173.7301 28 S 4.0635 7.8392 114.4595 59.0939 63.8162 173.1508 29 R 4.4694 8.6073 126.8329 55.8728 30.4840 176.4616 30 V 4.4593 9.1178 127.8623 64.2980 33.1791 175.9199 31 L 4.9760 7.5343 118.7181 52.9682 45.9751 176.1975 32 Q 4.4327 8.6308 121.8150 54.9536 29.6467 174.3219 33 P 3.9875 0.0000 0.0000 63.7766 32.0115 176.8822 34 G 3.8007 8.9727 111.0579 46.3799 0.0000 174.3251 35 T 4.2947 7.7492 106.8027 61.0895 69.6852 173.6112 36 A 4.8815 8.0672 123.5010 50.8299 23.3933 174.9171 37 L 5.3360 8.7044 118.8206 52.7800 44.7737 176.1516 38 F 4.6895 9.2925 126.1000 58.3413 40.2658 174.5088 39 S 4.4105 7.7142 119.5840 56.2043 65.8417 174.2729 40 R 5.1844 8.1175 124.0973 55.1274 30.5577 176.1285 41 R 3.9654 7.5603 118.8864 56.4023 31.2732 175.0466 42 Q 4.5185 8.3423 127.0133 55.4041 30.1261 174.7668 43 L 4.3264 8.6313 125.5877 52.7097 46.2867 175.2115 44 F 4.9425 8.5878 125.5587 57.4208 40.3886 174.5356 45 L 4.6865 8.1545 127.2980 52.0482 43.6216 174.5819 46 P 4.3743 0.0000 0.0000 62.3926 31.9357 176.5352 47 S 4.1214 8.4502 117.4294 58.9235 62.7668 174.5365 48 M 4.4967 8.2897 123.1097 55.8809 32.3006 176.5350 49 R 4.5587 7.8929 119.4722 54.3582 33.3472 176.3978 50 K 4.1268 8.3580 122.0123 54.0357 31.3827 177.6946 *61 D 4.6993 8.5902 125.1087 51.5298 41.3899 175.4781 62 G 3.4867 7.0907 104.7362 45.6092 0.0000 171.1442 63 D 4.9581 7.5633 118.3177 52.3062 44.7361 175.7023 64 L 4.8340 8.6736 122.5959 54.2179 42.2277 176.0008 65 L 4.7613 8.9575 124.7707 52.5403 45.2789 176.9597 66 Q 5.0543 8.1215 119.2335 54.3651 31.4502 174.3262 67 E 4.5694 7.7502 118.2558 55.1413 33.5889 174.3373 68 H 5.1906 8.3507 120.6453 53.9699 34.1980 172.4106 69 W 5.3471 9.2533 121.2736 55.8991 30.8854 175.1359 70 L 4.7619 9.4795 127.8797 53.6436 43.2822 175.0413 71 V 4.6410 8.9666 126.8863 61.2417 33.9798 175.6605 72 E 5.1671 8.7353 125.9351 56.0122 30.5855 174.6858 73 D 5.0103 7.4976 116.9426 53.4671 43.9898 175.5598 74 M 3.5788 8.2451 123.2555 58.0785 31.0667 177.7076 75 F 4.7194 8.0471 115.9970 58.2143 39.3867 176.6261 76 I 3.8554 7.5230 122.1634 63.6950 37.1353 176.9958 77 F 4.0623 7.3135 117.8549 57.9445 39.2536 174.7863 78 E 4.2161 9.0417 127.4688 58.9733 29.8183 176.6570 79 N 5.2318 8.0241 115.1878 51.8802 43.2100 173.6565 80 V 4.2986 8.3141 120.6893 60.7857 34.0318 172.5570 81 G 4.1671 8.6980 110.2562 44.8104 0.0000 172.2803 82 F 5.3451 8.6367 121.6069 55.3891 40.9192 175.9077 83 T 4.3074 8.7218 114.4612 60.9463 69.6691 174.6316 84 K 4.1060 8.6680 121.7860 56.3544 32.7172 176.7718 85 D 4.5242 8.5023 120.2757 54.8970 41.3525 177.1148 86 V 4.2586 8.6598 122.8652 61.4631 33.1623 176.6661 87 G 3.7453 8.0766 119.5028 47.1306 0.0000 172.1128 88 N 4.7695 8.6779 121.1809 52.6522 38.8528 173.2556 89 I 4.3718 7.4505 119.6502 59.2981 39.9308 174.7584 90 K 4.7354 8.3193 125.4096 54.6023 35.0708 175.6536 91 F 4.9562 8.9038 123.3800 56.6752 41.1530 174.6830 92 L 4.7695 8.6305 121.2407 53.5170 43.8531 176.1330 93 V 4.8616 8.4797 115.0589 59.2133 37.0826 174.3006 94 C 4.4075 8.8228 122.6374 59.4323 31.6576 174.6236 95 A 4.0298 8.8244 129.0512 55.0599 18.3896 178.2243 96 D 4.5605 8.0825 114.8773 56.5977 41.6921 177.3292 97 C 4.3642 7.8698 111.4529 57.4450 30.6082 174.3007 98 E 3.8530 8.0836 118.2381 57.1128 27.3549 174.2064 99 I 3.8215 7.3437 119.3209 60.1407 38.5447 175.8791 100 G 4.2944 7.8714 113.3898 45.0526 0.0000 169.6098 101 P 4.5792 0.0000 0.0000 62.7661 31.7621 176.6085 102 I 4.2538 8.6200 115.8813 61.2809 39.2924 175.1902 103 G 4.5021 7.6569 108.4553 46.7567 0.0000 171.6456 104 W 5.3507 8.8433 128.1330 56.6572 34.7573 173.9073 105 H 4.9959 8.0294 125.8012 54.8040 33.4599 171.1803 106 C 4.2722 7.6781 125.6079 57.4649 32.5186 174.2204 107 L 3.8904 8.6583 127.0723 57.6180 41.1640 178.6120 108 D 4.3514 8.1515 117.6117 56.2115 40.6323 175.9860 109 D 4.8025 7.6288 119.8385 51.8444 40.4769 176.7541 110 K 4.0969 8.4225 123.5691 58.2938 32.6341 177.5828 111 N 5.7273 7.9590 115.9988 51.6894 38.6626 174.3538 112 S 4.8896 7.6719 114.2987 57.8928 66.3873 173.6456 113 F 5.1470 9.3273 123.5025 55.8218 43.1996 173.7790 114 Y 5.3898 9.4172 119.9063 56.2735 41.5259 174.5772 115 V 5.0371 9.1591 124.0478 60.8839 34.4110 174.3455 116 A 4.6093 8.9198 130.8321 51.7384 18.6812 177.9909 117 L 4.1035 8.5814 123.9000 58.1747 41.9608 179.5816 118 E 4.0270 8.1882 117.5325 58.3494 29.6490 177.1418 119 R 4.5159 8.1872 115.9361 56.0803 30.6249 175.2362 120 V 4.6790 7.5443 110.6539 60.0990 35.8708 174.0911 121 S 4.9709 9.1580 116.4899 57.3612 67.1161 173.3215 122 H 5.3218 8.7120 117.0306 54.1809 32.3962 173.3932 123 E 4.3224 8.9846 123.0886 56.3401 29.9505 175.2234 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 7 Q 8.33 4.18 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.64 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 8 G 8.91 3.85 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 0.00 0.00 0.00 *9 H 9.89 4.95 0.00 2.93 2.93 0.00 7.16 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 M 8.17 4.59 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 11 V 7.51 4.90 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 0.99 0.00 0.00 0.76 0.00 0.00 12 S 8.87 4.41 0.00 4.04 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 13 A 8.54 3.95 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 14 E 8.16 4.14 0.00 2.00 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 0.00 2.33 2.32 0.00 15 G 8.57 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 16 R 8.04 5.45 0.00 1.91 1.81 0.00 3.13 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 17 N 8.14 4.28 0.00 1.50 1.42 0.00 0.00 5.96 7.66 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 18 R 9.08 4.00 0.00 1.90 2.02 0.00 3.28 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 19 K 7.71 4.66 0.00 1.66 1.88 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.43 7.81 20 A 8.41 4.20 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 21 V 8.62 4.72 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 0.90 0.00 0.00 0.72 0.00 0.00 22 L 8.92 5.32 0.00 1.55 1.60 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.94 4.34 0.00 2.99 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 24 Q 8.79 4.15 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 25 R 8.03 4.17 0.00 1.80 1.98 0.00 3.31 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 26 C 7.85 4.67 0.00 3.02 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 27 G 8.35 3.91 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 0.00 0.00 0.00 28 S 7.84 4.06 0.00 4.06 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 29 R 8.61 4.47 0.00 1.94 1.81 0.00 3.21 0.00 0.00 3.43 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 30 V 9.12 4.46 2.26 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 1.46 0.00 0.00 1.02 0.00 0.00 31 L 7.53 4.98 0.00 1.46 1.30 0.83 0.48 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 32 Q 8.63 4.43 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 33 P 0.00 3.99 0.00 1.86 2.14 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 34 G 8.97 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 35 T 7.75 4.29 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 1.17 0.00 0.00 36 A 8.07 4.88 1.22 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 0.00 0.00 37 L 8.70 5.34 0.00 1.69 1.67 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 38 F 9.29 4.69 0.00 3.13 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 39 S 7.71 4.41 0.00 3.93 3.73 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 40 R 8.12 5.18 0.00 1.75 1.83 0.00 3.37 0.00 0.00 3.87 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 41 R 7.56 3.97 0.00 1.84 1.52 0.00 2.99 0.00 0.00 2.59 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.36 0.00 42 Q 8.34 4.52 0.00 2.16 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.48 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 43 L 8.63 4.33 0.00 1.11 0.62 -0.30 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.59 4.94 0.00 2.96 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 45 L 8.15 4.69 0.00 1.47 1.44 0.92 0.95 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 46 P 0.00 4.37 0.00 1.56 1.85 0.00 3.27 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 1.44 2.10 0.00 47 S 8.45 4.12 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 48 M 8.29 4.50 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 49 R 7.89 4.56 0.00 1.71 1.78 0.00 3.18 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 50 K 8.36 4.13 0.00 1.78 1.64 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 0.99 7.81 *61 D 8.59 4.70 0.00 2.97 3.07 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 0.00 0.00 0.00 62 G 7.09 3.49 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 0.00 63 D 7.56 4.96 0.00 2.41 2.45 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 64 L 8.67 4.83 0.00 1.57 1.65 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.96 4.76 0.00 1.47 1.39 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.12 5.05 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 67 E 7.75 4.57 0.00 1.74 1.85 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 2.34 2.27 0.00 68 H 8.35 5.19 0.00 3.08 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 W 9.25 5.35 0.00 3.38 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 70 L 9.48 4.76 0.00 1.59 1.72 0.43 0.88 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 71 V 8.97 4.64 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 0.32 0.00 0.00 0.58 0.00 0.00 72 E 8.74 5.17 0.00 2.06 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 2.34 2.29 0.00 73 D 7.50 5.01 0.00 2.79 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 74 M 8.25 3.58 0.00 1.47 1.70 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.62 0.00 75 F 8.05 4.72 0.00 3.17 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 76 I 7.52 3.86 1.78 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 1.24 0.44 0.72 0.00 0.00 77 F 7.31 4.06 0.00 3.21 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 78 E 9.04 4.22 0.00 1.99 2.24 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 2.33 2.36 0.00 79 N 8.02 5.23 0.00 2.84 2.65 0.00 0.00 6.69 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 80 V 8.31 4.30 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 -0.03 0.00 0.00 0.40 0.00 0.00 81 G 8.70 4.17 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 0.00 82 F 8.64 5.35 0.00 2.86 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 83 T 8.72 4.31 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 1.37 0.00 0.00 84 K 8.67 4.11 0.00 1.81 1.83 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.45 7.81 85 D 8.50 4.52 0.00 2.65 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 86 V 8.66 4.26 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 1.15 0.00 0.00 1.13 0.00 0.00 87 G 8.08 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 88 N 8.68 4.77 0.00 2.67 2.68 0.00 0.00 6.71 7.81 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 89 I 7.45 4.37 1.67 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.37 -0.32 0.00 0.00 90 K 8.32 4.74 0.00 1.73 1.86 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.33 7.81 91 F 8.90 4.96 0.00 3.08 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 92 L 8.63 4.77 0.00 1.58 1.18 0.86 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.48 4.86 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 0.72 0.00 0.00 0.94 0.00 0.00 94 C 8.82 4.41 0.00 2.99 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.82 4.03 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 96 D 8.08 4.56 0.00 2.68 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 97 C 7.87 4.36 0.00 3.09 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 E 8.08 3.85 0.00 2.18 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 2.23 2.22 0.00 99 I 7.34 3.82 1.86 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 1.22 1.43 0.90 0.00 0.00 100 G 7.87 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 0.00 0.00 0.00 0.00 101 P 0.00 4.58 0.00 2.08 2.10 0.00 3.65 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.46 0.00 102 I 8.62 4.25 1.93 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 1.20 0.76 0.97 0.00 0.00 103 G 7.66 4.50 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 0.00 0.00 0.00 104 W 8.84 5.35 0.00 3.46 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 0.00 105 H 8.03 5.00 0.00 3.36 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 7.68 4.27 0.00 2.40 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 0.00 107 L 8.66 3.89 0.00 1.37 1.61 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.15 4.35 0.00 2.61 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 0.00 109 D 7.63 4.80 0.00 2.68 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 0.00 110 K 8.42 4.10 0.00 1.75 1.91 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.40 7.81 111 N 7.96 5.73 0.00 2.91 3.04 0.00 0.00 6.48 7.64 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 0.00 112 S 7.67 4.89 0.00 3.75 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 0.00 113 F 9.33 5.15 0.00 3.16 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 0.00 114 Y 9.42 5.39 0.00 3.13 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 0.00 115 V 9.16 5.04 2.48 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 1.15 0.00 0.00 1.34 0.00 0.00 116 A 8.92 4.61 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 0.00 117 L 8.58 4.10 0.00 1.73 1.80 0.02 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.19 4.03 0.00 1.89 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 2.29 2.33 0.00 119 R 8.19 4.52 0.00 1.93 1.94 0.00 3.42 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 120 V 7.54 4.68 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.15 0.00 0.00 121 S 9.16 4.97 0.00 3.83 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 0.00 122 H 8.71 5.32 0.00 3.03 3.24 0.00 5.83 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 0.00 123 E 8.98 4.32 0.00 2.02 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 2.19 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.