NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.4613 0.0000 0.0000 62.0544 32.7943 177.4118 5 N 4.4348 8.3260 120.3013 54.4543 38.6504 174.1818 6 F 4.8259 7.2730 110.5275 56.0773 41.7601 173.3490 7 R 4.5283 8.6875 120.6674 56.1042 30.9844 175.3800 8 Y 5.0671 7.8158 116.5767 56.6012 40.6847 173.8915 9 T 4.3580 8.5744 116.6053 61.8174 71.3880 173.1230 10 H 4.8432 8.6122 125.2556 54.5460 31.4526 172.5086 11 Y 4.1982 8.4832 125.1737 56.3236 38.5125 175.1801 12 D 4.4066 8.2562 125.7046 53.4389 40.4754 175.6841 13 L 4.2905 8.3828 125.9548 54.0724 42.7958 179.3859 14 K 3.5725 7.7634 117.9979 57.0034 31.0714 174.4059 15 E 4.2297 8.7232 122.3407 57.0001 30.0100 176.0242 16 L 4.7971 8.1580 123.1640 52.5306 45.3503 176.3991 17 R 4.0469 8.3709 122.2020 55.3930 30.8917 175.4619 18 A 4.1365 8.4474 126.3514 54.3734 18.5977 177.9270 19 G 4.0116 8.9641 110.4465 45.4022 0.0000 174.1985 20 T 3.8406 7.3402 115.9989 64.4328 68.8953 173.3546 21 T 4.4970 8.3499 121.8397 61.6626 70.5077 173.5934 22 L 4.3232 8.4057 126.6712 53.2174 42.7850 175.5374 23 E 4.3677 8.6136 125.0268 54.6521 29.9719 174.7847 24 I 4.3830 8.1931 127.2717 59.5218 39.4463 175.2966 25 S 4.8735 8.4367 121.0553 56.8608 64.9354 173.5270 26 L 4.8590 7.9701 122.1266 53.2445 45.4979 176.6817 27 S 4.4050 8.6951 115.9503 60.2914 63.7334 173.9116 28 S 4.5529 7.5959 113.0374 56.2033 65.6226 173.5540 29 V 3.5412 8.2226 120.2688 63.7845 31.1731 174.6533 30 N 4.9322 8.3053 122.6314 52.5268 42.6976 173.1564 31 N 4.8113 8.4087 116.5133 52.2678 39.9025 175.2036 32 V 4.4275 8.1576 120.3120 61.0851 34.0978 175.1054 33 R 4.5302 8.4826 125.0844 54.4623 33.3512 174.1870 34 L 4.4513 8.3550 124.7491 53.6236 44.0221 175.7917 *36 T 4.2930 8.0358 113.9739 61.2092 71.1694 175.1965 37 G 3.7104 8.4813 106.8518 48.0147 0.0000 175.5388 38 A 4.0747 8.0605 122.7954 55.1586 18.3732 179.3549 39 N 4.4138 8.0250 114.1257 56.1256 38.6156 177.4636 40 F 4.3174 8.6310 122.7783 61.3560 39.2845 177.2161 41 Q 3.7778 8.1838 117.7393 58.7681 28.4930 178.8020 42 R 3.8191 7.8340 118.8524 59.2153 30.0163 178.5627 43 F 4.0274 8.4794 120.9756 61.7903 39.0971 177.4010 44 T 3.4964 7.3368 107.5099 64.4698 68.7844 176.0557 45 E 3.9797 7.7024 121.6331 59.1918 29.2795 178.8259 46 L 4.2469 7.5434 117.5934 56.3914 41.7957 179.1125 47 L 3.5854 7.3347 119.5478 56.5109 41.1518 177.8627 48 D 4.6451 7.3380 115.8507 53.6090 41.3012 175.8077 49 F 4.7071 7.7138 123.0461 57.9128 39.5482 174.7945 50 K 4.3608 8.3085 126.9002 54.8191 35.4548 174.7773 51 Y 4.7794 7.2827 118.4431 56.3237 40.5182 173.3543 52 L 4.6768 9.2494 120.0608 53.1620 44.5905 175.8770 53 G 3.9821 9.1661 109.1988 44.9037 0.0000 172.1352 54 G 3.8065 8.2297 110.7276 45.3370 0.0000 171.4912 55 V 3.7740 8.1119 122.9693 62.3592 32.1836 175.9784 56 A 4.6481 8.4884 130.2107 50.7905 20.1631 176.4340 57 K 4.5742 8.6319 120.4112 55.9171 33.5446 175.8904 58 K 4.7383 7.6218 116.9768 54.9894 36.1894 175.3577 59 S 4.5628 8.1545 113.8892 56.3973 65.2434 172.1718 60 P 4.6382 0.0000 0.0000 61.9555 32.4468 174.6839 61 I 4.6068 7.9164 111.3046 58.9623 40.2860 174.8287 62 R 4.6798 8.2615 118.9691 54.4042 32.9236 175.5255 63 I 4.4820 8.1009 121.1929 59.4397 40.7563 174.4380 64 A 4.5064 8.2680 127.6647 50.0756 20.5857 176.6454 65 V 3.1230 7.9073 122.7770 61.8537 32.0083 174.4770 66 P 4.4706 0.0000 0.0000 64.8289 31.9194 175.8477 67 E 4.7948 7.9273 116.1010 55.1059 33.4587 174.4623 68 T 4.2255 8.3969 118.3555 63.1873 68.9663 174.1336 *70 H 4.4392 8.5620 125.6427 55.6793 30.7083 172.1630 71 W 4.9352 8.6768 125.6616 55.1794 31.9709 174.6564 72 H 4.9814 8.9653 117.0370 53.9011 31.8239 172.6658 73 L 4.7761 8.6667 124.7125 53.1805 43.9806 175.3050 74 I 4.4988 8.3920 126.3448 59.4754 39.3062 174.7530 75 I 4.4888 8.2528 125.8315 59.4725 38.9163 174.6117 76 D 4.6978 8.3629 122.7726 52.4119 42.2782 174.4183 77 A 4.6568 8.3432 120.7996 51.7680 19.3336 176.1740 78 E 4.0001 8.4209 120.8528 59.1881 29.6372 177.4110 79 G 3.8602 8.9999 113.8140 45.9005 0.0000 172.0395 80 H 5.1146 7.9468 115.5821 53.3593 32.2549 174.1052 81 S 4.2675 8.7609 115.8423 61.1618 63.1878 174.1113 82 G 4.0842 7.4957 106.9836 44.1230 0.0000 171.3652 83 L 4.2740 8.2435 121.2824 53.3958 42.6952 176.2477 84 A 4.1757 8.3856 129.1279 51.9228 19.0724 176.8493 85 E 4.2374 8.4658 120.7935 56.5719 30.2607 176.5466 86 S 4.7247 8.1140 114.9438 57.3866 66.0019 173.2701 87 S 4.7238 8.1581 114.4759 56.8479 65.6671 173.7408 88 V 4.4560 8.1376 120.2863 59.8802 34.2230 174.8110 89 K 4.6886 8.2512 125.4701 54.7748 34.3968 174.2969 *91 L 4.1065 8.2619 115.8486 53.9019 42.7433 174.9206 92 P 4.2819 0.0000 0.0000 62.4941 31.9082 176.2723 93 A 4.1621 8.2434 124.0080 52.0813 19.0295 177.6531 94 Q 4.2240 8.3017 119.7846 54.6985 29.6172 174.7652 95 P 4.3838 0.0000 0.0000 62.9258 31.9359 176.0489 96 Q 4.5217 8.3090 120.3629 53.8474 32.4298 174.9962 97 A 4.2497 8.4390 124.5721 52.0774 19.3863 176.9305 98 T 4.3356 8.2054 117.6698 62.4921 69.4887 175.2791 99 L 4.3951 8.3001 126.5294 54.2323 42.7975 175.4667 100 T 4.7048 7.8602 109.6406 59.4861 71.8613 173.5569 101 R 4.2223 8.1890 120.0976 55.5092 30.7457 176.9651 102 K 4.0874 8.2735 118.7826 55.7877 32.6841 177.1981 103 A 3.9894 8.5326 125.3871 52.3428 18.5963 177.9085 104 S 4.2979 8.6959 116.8141 58.8239 62.9826 174.2422 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 4 P 0.00 4.46 0.00 2.13 1.96 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 5 N 8.33 4.43 0.00 2.55 3.06 0.00 0.00 6.82 6.57 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 6 F 7.27 4.83 0.00 3.21 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 7 R 8.69 4.53 0.00 1.95 1.96 0.00 3.26 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 8 Y 7.82 5.07 0.00 3.39 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 9 T 8.57 4.36 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 0.79 0.00 0.00 10 H 8.61 4.84 0.00 3.46 3.28 0.00 5.73 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 11 Y 8.48 4.20 0.00 2.94 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 12 D 8.26 4.41 0.00 2.39 2.50 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 13 L 8.38 4.29 0.00 1.66 1.67 0.88 0.96 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 14 K 7.76 3.57 0.00 1.92 1.74 0.00 1.71 0.00 0.00 1.92 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.53 7.81 15 E 8.72 4.23 0.00 1.96 1.89 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 2.31 2.27 0.00 16 L 8.16 4.80 0.00 1.57 1.51 0.90 0.98 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 17 R 8.37 4.05 0.00 1.84 1.78 0.00 3.20 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 18 A 8.45 4.14 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 19 G 8.96 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 0.00 0.00 0.00 20 T 7.34 3.84 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 1.19 0.00 0.00 21 T 8.35 4.50 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 1.19 0.00 0.00 22 L 8.41 4.32 0.00 1.57 1.52 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.61 4.37 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 2.18 2.28 0.00 24 I 8.19 4.38 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 0.87 0.00 0.00 25 S 8.44 4.87 0.00 3.83 3.76 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 0.00 0.00 0.00 26 L 7.97 4.86 0.00 1.58 1.52 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.70 4.40 0.00 3.99 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 28 S 7.60 4.55 0.00 3.96 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 29 V 8.22 3.54 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 0.82 0.00 0.00 0.94 0.00 0.00 30 N 8.31 4.93 0.00 2.72 2.72 0.00 0.00 7.13 8.00 0.00 0.00 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 N 8.41 4.81 0.00 2.71 2.74 0.00 0.00 6.56 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 32 V 8.16 4.43 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 0.84 0.00 0.00 0.95 0.00 0.00 33 R 8.48 4.53 0.00 1.70 1.75 0.00 3.23 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 34 L 8.36 4.45 0.00 1.56 1.53 0.91 0.99 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 *36 T 8.04 4.29 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 1.23 0.00 0.00 37 G 8.48 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 38 A 8.06 4.07 1.35 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 0.00 0.00 39 N 8.03 4.41 0.00 3.03 2.93 0.00 0.00 6.66 8.01 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 40 F 8.63 4.32 0.00 3.08 3.27 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 41 Q 8.18 3.78 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 42 R 7.83 3.82 0.00 2.06 1.95 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 43 F 8.48 4.03 0.00 3.05 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 44 T 7.34 3.50 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 0.43 0.00 0.00 45 E 7.70 3.98 0.00 1.96 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 2.47 2.39 0.00 46 L 7.54 4.25 0.00 1.57 1.72 0.90 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.33 3.59 0.00 1.45 1.38 0.35 0.19 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 48 D 7.34 4.65 0.00 2.64 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 49 F 7.71 4.71 0.00 2.83 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 50 K 8.31 4.36 0.00 1.68 1.52 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.28 7.81 51 Y 7.28 4.78 0.00 3.04 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 52 L 9.25 4.68 0.00 1.66 1.59 0.84 0.89 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 53 G 9.17 3.98 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 54 G 8.23 3.81 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 0.00 0.00 0.00 55 V 8.11 3.77 2.12 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 0.85 0.00 0.00 1.01 0.00 0.00 56 A 8.49 4.65 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 57 K 8.63 4.57 0.00 1.71 1.80 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.42 7.81 58 K 7.62 4.74 0.00 1.67 1.63 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.40 7.81 59 S 8.15 4.56 0.00 3.76 3.66 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 0.00 0.00 0.00 0.00 60 P 0.00 4.64 0.00 2.21 2.03 0.00 3.75 0.00 0.00 3.70 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 61 I 7.92 4.61 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 1.41 0.73 0.94 0.00 0.00 62 R 8.26 4.68 0.00 1.75 1.80 0.00 3.13 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 63 I 8.10 4.48 1.79 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 1.32 0.57 0.80 0.00 0.00 64 A 8.27 4.51 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 65 V 7.91 3.12 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 0.30 0.00 0.00 0.39 0.00 0.00 66 P 0.00 4.47 0.00 2.29 2.14 0.00 2.93 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.05 0.00 67 E 7.93 4.79 0.00 2.23 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 2.34 2.37 0.00 68 T 8.40 4.23 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 *70 H 8.56 4.44 0.00 3.06 3.10 0.00 5.69 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 71 W 8.68 4.94 0.00 3.31 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 72 H 8.97 4.98 0.00 3.20 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.67 4.78 0.00 1.60 1.57 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.39 4.50 1.86 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 1.47 1.06 0.95 0.00 0.00 75 I 8.25 4.49 1.88 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 1.48 0.85 0.91 0.00 0.00 76 D 8.36 4.70 0.00 2.72 2.57 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 77 A 8.34 4.66 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 78 E 8.42 4.00 0.00 1.96 1.96 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 2.32 2.26 0.00 79 G 9.00 3.86 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 0.00 0.00 0.00 80 H 7.95 5.11 0.00 3.22 3.16 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.76 4.27 0.00 3.99 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 82 G 7.50 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 0.00 0.00 0.00 83 L 8.24 4.27 0.00 1.60 1.59 0.93 1.00 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 84 A 8.39 4.18 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 85 E 8.47 4.24 0.00 1.95 1.89 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 2.31 2.36 0.00 86 S 8.11 4.72 0.00 3.92 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 87 S 8.16 4.72 0.00 3.94 3.81 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 88 V 8.14 4.46 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 0.76 0.00 0.00 0.93 0.00 0.00 89 K 8.25 4.69 0.00 1.68 1.71 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.40 7.81 *91 L 8.26 4.11 0.00 1.68 1.61 0.90 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 92 P 0.00 4.28 0.00 2.03 1.99 0.00 3.67 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 2.02 2.09 0.00 93 A 8.24 4.16 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 94 Q 8.30 4.22 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 95 P 0.00 4.38 0.00 2.03 1.99 0.00 3.61 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 2.02 2.11 0.00 96 Q 8.31 4.52 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.51 0.00 97 A 8.44 4.25 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 98 T 8.21 4.34 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 99 L 8.30 4.40 0.00 1.63 1.59 0.92 0.85 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 0.00 100 T 7.86 4.70 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 1.21 0.00 0.00 101 R 8.19 4.22 0.00 1.82 1.91 0.00 3.21 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 102 K 8.27 4.09 0.00 1.74 1.74 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.43 7.81 103 A 8.53 3.99 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 0.00 104 S 8.70 4.30 0.00 3.99 3.87 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 * Residues marked with a * may have inaccurate shift predictions.