NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6875 8.4201 119.2040 53.2996 40.8470 175.1311 0 A 4.2449 8.4136 133.5238 51.1509 18.2944 173.7874 2 E 4.8437 8.0031 114.4325 56.5724 34.5486 174.8168 3 V 4.0941 8.6377 126.9920 63.4217 31.8770 175.2710 4 T 4.5576 8.7558 123.1376 62.8486 70.3440 173.5641 5 D 4.5007 7.3683 119.3120 53.7936 44.4560 174.8416 6 V 4.8910 8.4672 122.8844 61.1723 34.9879 174.1390 7 R 4.7356 8.9382 127.6086 54.4883 32.6171 174.1396 8 L 5.2101 8.4474 126.6600 53.4786 45.8831 174.8525 9 R 4.6156 8.7643 125.3137 54.2420 32.7490 174.5049 10 R 4.6122 8.8214 127.4151 56.4551 31.0247 175.3741 11 V 4.3526 8.4690 126.5332 61.6040 32.3219 175.1358 12 N 4.7903 8.8141 123.9782 53.8146 40.2872 175.4203 13 T 3.7947 7.9128 114.9906 63.7271 68.7038 173.5144 14 D 4.4635 8.3860 125.9706 53.9100 42.1747 174.1335 15 G 3.8244 8.9578 107.7167 43.9245 0.0000 173.5052 16 R 4.2475 8.2140 116.6573 56.1874 28.6237 178.5476 *18 R 4.5031 8.0093 117.4505 55.8273 33.3203 176.5714 19 A 4.7841 7.2127 118.5388 51.1301 23.4611 174.9702 20 I 4.9563 8.3357 119.3414 59.3055 41.4501 174.2920 21 A 5.2516 9.2769 129.5930 50.7044 23.4669 174.6500 22 S 5.1709 9.0024 113.0501 56.6892 66.5726 173.2225 23 I 4.8502 8.4203 114.9725 59.6367 40.5806 174.4191 24 T 4.9295 8.8814 121.4696 62.1702 70.4105 173.4103 25 L 4.8432 9.5063 128.4583 53.9204 43.6009 176.9748 26 D 4.4368 9.5459 124.1224 55.8069 39.0732 173.9539 27 H 4.2078 8.5808 110.7541 56.5688 26.4771 174.8996 28 E 4.5966 8.3283 118.3042 56.9726 33.7587 174.8225 29 F 4.8027 8.7465 122.1287 56.2918 41.8112 173.8643 30 V 4.7104 7.9230 126.0379 61.2064 33.3658 174.7211 31 V 4.3098 8.6987 127.7040 61.5017 33.8288 174.4871 32 H 4.9786 8.7678 124.3438 54.5990 31.2616 173.6210 33 D 4.4072 8.5013 115.8409 55.7294 37.8038 174.2205 34 I 4.4389 7.8850 119.8671 60.3831 39.0852 175.6034 35 R 4.9048 8.4273 126.0049 54.4356 32.4414 175.4370 36 V 4.1331 8.5978 124.4093 62.0870 33.0668 174.8259 37 I 4.4649 7.9065 127.3038 59.5618 41.5685 174.2550 38 D 4.8323 9.1113 127.0773 53.1108 40.5665 175.7897 39 G 4.3044 8.5263 113.8996 43.5173 0.0000 172.2648 40 N 4.8827 8.5379 118.3805 51.4311 35.5021 174.4204 41 N 4.3210 7.5957 113.6963 53.5420 42.8663 174.2794 42 G 4.2730 7.6330 105.1275 42.5307 0.0000 173.0768 43 L 4.6068 8.1326 120.5833 54.8901 42.3173 176.8939 44 F 5.1427 8.8413 116.7485 55.6385 41.9891 173.0375 45 V 4.5987 8.9281 120.0772 61.5811 32.7846 174.8940 46 A 4.9401 8.4152 133.1300 50.2606 22.5775 172.8977 *48 P 4.4195 0.0000 0.0000 63.2328 32.8158 176.0425 49 S 5.2674 8.8202 117.9945 56.1554 65.9147 172.5814 50 K 4.8186 9.3668 125.4755 54.2988 35.0926 175.2743 51 R 3.9471 8.6472 124.6573 55.9640 30.4369 176.3691 52 T 4.0607 8.7281 114.3491 60.4158 70.5155 173.2633 53 P 4.5510 0.0000 0.0000 61.0770 28.6970 175.1645 54 D 4.8937 8.3234 128.5636 53.5470 43.0819 177.8310 55 G 3.9471 8.0729 107.1792 46.1049 0.0000 173.7320 56 E 4.4305 7.3896 118.9732 55.8921 31.3730 175.8291 57 F 5.2927 8.5593 118.2343 56.0810 42.3937 175.0848 58 R 4.9488 9.1622 121.7808 54.0626 34.3627 174.8870 59 D 4.9639 8.7818 121.5161 53.4911 40.2428 176.6189 60 I 3.9549 8.7801 122.2089 63.3235 37.4954 176.2637 61 T 4.4383 7.7519 115.0766 61.9139 70.0854 172.3149 62 H 4.8457 8.6395 126.5088 53.1307 31.5495 171.8755 63 P 4.4180 0.0000 0.0000 62.7163 32.1203 176.4876 64 I 3.9075 8.3001 122.2549 63.8507 37.6686 176.3223 65 N 4.8376 7.7104 116.7505 51.9179 40.1337 176.1965 66 S 4.1895 8.4347 115.1023 61.2257 63.1606 176.8116 67 S 4.0876 7.9820 118.0469 61.7155 62.7931 176.5122 68 T 3.9013 7.8244 113.4599 63.9453 68.5545 176.0245 69 R 3.9491 7.7956 121.9609 59.6092 30.0179 178.7486 70 G 3.5638 8.7099 105.5210 47.4001 0.0000 175.4930 71 K 4.1332 8.0816 120.9676 59.4732 32.9173 179.5585 72 I 3.7125 7.9940 121.3754 64.2258 37.1080 177.8561 73 Q 3.9516 8.7086 120.7726 59.4495 28.7931 177.8559 74 D 4.3420 8.4392 119.8189 57.5787 40.9335 178.5720 75 A 4.0769 7.6568 120.5091 55.5468 18.3140 179.9740 76 V 3.5301 7.7013 115.9462 66.1992 31.5868 178.2994 77 L 4.0156 8.4786 119.1196 57.6875 41.4116 179.0830 78 N 4.3564 9.0497 117.6944 56.5012 38.5684 177.0755 79 E 3.9523 8.2498 120.5039 59.3969 29.7622 177.6081 80 Y 4.1322 8.1759 119.5389 61.6539 38.8063 178.1518 81 H 4.0148 8.5951 116.8418 58.7956 28.9616 177.9308 82 R 4.0904 8.4647 121.0092 59.2760 29.7174 178.6266 83 L 4.0852 8.5391 119.6374 57.3586 41.5727 179.1455 84 G 3.7119 7.7686 106.0585 47.6793 0.0000 174.3997 85 D 4.6851 7.9698 119.7468 53.2940 39.8558 177.9357 86 T 3.8887 7.7727 118.6788 66.0277 68.6021 176.7079 87 E 3.9122 7.8201 120.4462 59.0269 30.0016 178.1541 88 A 4.1412 7.9843 121.1266 55.3615 18.2434 179.6813 89 L 4.0063 7.2721 116.2570 58.8954 40.6837 178.5503 90 E 4.0370 8.2512 120.1791 59.1450 29.2908 178.3347 91 F 4.0740 7.9741 119.7718 60.4295 39.3264 174.7693 92 E 4.2579 7.8202 120.4527 56.4776 30.0430 175.3754 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 N 8.42 4.69 0.00 2.68 2.79 0.00 0.00 6.98 7.08 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 A 8.41 4.24 1.23 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 0.00 0.00 2 E 8.00 4.84 0.00 2.19 1.74 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 2.04 2.05 0.00 3 V 8.64 4.09 2.08 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 0.86 0.00 0.00 0.94 0.00 0.00 4 T 8.76 4.56 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 1.11 0.00 0.00 5 D 7.37 4.50 0.00 2.71 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.47 4.89 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 0.85 0.00 0.00 0.94 0.00 0.00 7 R 8.94 4.74 0.00 1.90 1.73 0.00 3.11 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 8 L 8.45 5.21 0.00 1.67 1.50 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.76 4.62 0.00 1.91 1.74 0.00 3.15 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 10 R 8.82 4.61 0.00 1.92 1.86 0.00 3.30 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.04 0.00 11 V 8.47 4.35 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 0.81 0.00 0.00 0.92 0.00 0.00 12 N 8.81 4.79 0.00 2.74 2.84 0.00 0.00 7.12 7.54 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 13 T 7.91 3.79 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 1.21 0.00 0.00 14 D 8.39 4.46 0.00 2.63 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 15 G 8.96 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 16 R 8.21 4.25 0.00 1.71 1.87 0.00 3.68 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 *18 R 8.01 4.50 0.00 1.52 2.02 0.00 3.37 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 19 A 7.21 4.78 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 20 I 8.34 4.96 1.84 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 1.15 1.59 0.90 0.00 0.00 21 A 9.28 5.25 1.24 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 0.00 0.00 0.00 0.00 0.00 22 S 9.00 5.17 0.00 3.81 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 23 I 8.42 4.85 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.30 0.91 0.00 0.00 24 T 8.88 4.93 4.24 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 0.00 0.00 1.22 0.00 0.00 25 L 9.51 4.84 0.00 1.81 1.63 1.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 26 D 9.55 4.44 0.00 2.82 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 27 H 8.58 4.21 0.00 3.30 3.44 0.00 5.86 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.33 4.60 0.00 2.12 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 2.28 2.35 0.00 29 F 8.75 4.80 0.00 3.02 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.92 4.71 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 0.53 0.00 0.00 0.86 0.00 0.00 31 V 8.70 4.31 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 1.07 0.00 0.00 32 H 8.77 4.98 0.00 3.06 3.16 0.00 5.86 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.50 4.41 0.00 2.86 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 34 I 7.88 4.44 1.97 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 1.23 0.57 0.90 0.00 0.00 35 R 8.43 4.90 0.00 1.70 1.67 0.00 3.13 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 36 V 8.60 4.13 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 0.35 0.00 0.00 0.65 0.00 0.00 37 I 7.91 4.46 0.65 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.14 0.78 0.00 0.00 38 D 9.11 4.83 0.00 2.60 2.59 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 0.00 0.00 0.00 39 G 8.53 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 40 N 8.54 4.88 0.00 2.83 2.91 0.00 0.00 5.95 8.04 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 41 N 7.60 4.32 0.00 2.67 2.81 0.00 0.00 7.29 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 42 G 7.63 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.13 4.61 0.00 1.57 1.59 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.84 5.14 0.00 3.10 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 45 V 8.93 4.60 2.11 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 0.75 0.00 0.00 0.87 0.00 0.00 46 A 8.42 4.94 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 *48 P 0.00 4.42 0.00 2.19 2.38 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 49 S 8.82 5.27 0.00 3.93 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 50 K 9.37 4.82 0.00 1.83 1.74 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.34 7.81 51 R 8.65 3.95 0.00 1.27 0.83 0.00 3.32 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 52 T 8.73 4.06 4.18 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 1.17 0.00 0.00 53 P 0.00 4.55 0.00 2.03 2.03 0.00 3.73 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 54 D 8.32 4.89 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.07 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.39 4.43 0.00 1.85 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 2.32 2.50 0.00 57 F 8.56 5.29 0.00 2.87 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 58 R 9.16 4.95 0.00 1.69 1.78 0.00 3.32 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 59 D 8.78 4.96 0.00 3.00 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 60 I 8.78 3.95 2.02 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 1.33 0.60 0.96 0.00 0.00 61 T 7.75 4.44 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 1.27 0.00 0.00 62 H 8.64 4.85 0.00 3.09 3.19 0.00 5.73 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.42 0.00 2.31 2.00 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 64 I 8.30 3.91 1.86 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 1.45 0.54 0.94 0.00 0.00 65 N 7.71 4.84 0.00 2.88 2.71 0.00 0.00 6.87 7.67 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 66 S 8.43 4.19 0.00 4.04 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 67 S 7.98 4.09 0.00 4.07 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 0.00 68 T 7.82 3.90 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 1.23 0.00 0.00 69 R 7.80 3.95 0.00 1.82 2.07 0.00 3.09 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 70 G 8.71 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.08 4.13 0.00 2.02 2.20 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.47 7.81 72 I 7.99 3.71 2.02 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 1.12 0.92 0.00 0.00 73 Q 8.71 3.95 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 74 D 8.44 4.34 0.00 2.75 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 75 A 7.66 4.08 1.38 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 76 V 7.70 3.53 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 0.97 0.00 0.00 0.97 0.00 0.00 77 L 8.48 4.02 0.00 1.71 1.75 0.95 0.52 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 78 N 9.05 4.36 0.00 2.96 2.91 0.00 0.00 6.65 7.54 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 79 E 8.25 3.95 0.00 2.21 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 2.33 2.39 0.00 80 Y 8.18 4.13 0.00 3.03 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 81 H 8.60 4.01 0.00 3.25 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.46 4.09 0.00 1.99 2.08 0.00 3.10 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 83 L 8.54 4.09 0.00 1.78 1.63 0.93 0.90 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 84 G 7.77 3.71 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 0.00 0.00 0.00 85 D 7.97 4.69 0.00 2.90 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 86 T 7.77 3.89 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 1.21 0.00 0.00 87 E 7.82 3.91 0.00 2.10 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 0.00 2.38 2.35 0.00 88 A 7.98 4.14 1.34 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 0.00 0.00 89 L 7.27 4.01 0.00 1.76 1.83 0.93 0.93 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 90 E 8.25 4.04 0.00 2.15 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 2.31 2.48 0.00 91 F 7.97 4.07 0.00 3.18 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 92 E 7.82 4.26 0.00 2.01 1.80 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 2.29 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.