NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1452 8.2649 123.5833 48.0068 21.1386 175.1613 2 K 3.5128 7.6503 122.6849 54.7202 29.2714 174.4402 3 Q 4.0404 8.3209 124.5419 59.3498 29.9042 177.8115 4 S 4.0747 8.1643 114.2008 62.2315 62.3773 176.0905 5 M 4.0098 8.0088 121.8493 57.5972 32.0718 177.8867 6 K 3.8739 8.7781 119.2205 59.6386 32.3066 178.9422 7 A 4.0250 8.1151 120.6209 55.2940 18.1556 179.7242 8 R 3.8166 7.6248 116.3133 59.8077 30.0446 178.0140 9 E 3.8960 7.8890 118.2901 59.5475 29.3936 178.7211 10 V 3.5938 7.5821 117.0926 66.5501 31.5999 178.0551 11 K 4.0412 8.2883 118.0386 59.2717 31.8754 179.0700 12 R 4.0150 7.9180 118.1595 60.1512 29.9946 178.5228 13 V 3.5298 7.7539 116.9187 65.9469 31.3873 177.4775 14 A 4.8231 7.9187 121.0417 54.7490 18.4349 179.3805 15 L 3.9336 7.8297 116.5464 58.1863 41.7817 179.4498 16 A 4.9887 8.1003 121.7299 55.0999 18.1386 179.2934 17 D 4.3197 8.0502 117.1020 57.4687 40.8069 178.9097 18 K 3.8673 7.9947 118.5375 57.1886 31.9968 177.3309 19 Y 4.1462 8.2005 111.8094 58.0720 38.7104 178.1405 20 F 4.5268 5.4600 127.5739 61.4292 39.7637 177.8561 21 A 4.3520 8.5111 122.8498 54.8726 18.1574 178.2785 22 K 5.3248 9.4048 110.8819 55.1457 34.6429 176.9634 23 R 4.4785 7.7121 117.9564 56.2832 32.4844 176.9201 24 A 4.8501 8.4868 118.4603 52.7836 18.7278 178.8151 25 E 4.2269 8.4971 124.1955 60.1317 29.7362 178.3569 26 L 3.9985 8.0783 119.9123 58.9299 39.8772 179.3123 27 K 3.9069 8.2098 118.9476 59.8603 32.1997 178.7972 28 A 4.0768 8.0965 120.1617 53.7631 18.3932 177.0373 29 I 3.9498 7.5203 116.4539 61.6538 37.7601 177.0582 30 I 3.5142 6.5190 122.8640 66.4162 38.3254 179.0740 31 S 4.6904 7.6992 121.9042 58.3640 62.0730 173.6575 32 D 4.8085 8.9728 119.0928 52.1388 44.4673 175.8568 33 V 3.8980 8.1363 121.5207 63.1685 28.9030 174.1373 34 N 4.8661 7.9112 119.7441 53.0825 42.2674 175.3419 35 A 4.4979 7.6150 120.5574 51.7117 21.2283 176.2319 *40 R 4.2897 7.7618 110.9286 55.7153 30.3768 175.3844 41 W 5.5445 8.3698 128.4718 55.1580 34.2819 175.4510 42 N 4.2983 8.5569 124.2800 56.6714 38.7446 176.4442 43 A 3.8101 7.2815 121.6992 55.3476 18.2111 179.6281 44 V 3.7463 7.5456 115.2595 65.8419 31.4969 177.9459 45 L 4.0646 7.7606 119.0268 57.3587 41.8914 178.1168 46 K 4.3699 7.3274 115.5224 57.3078 33.1516 177.8893 47 L 4.1312 7.8848 121.4824 57.8887 41.8206 178.4426 48 Q 4.3450 8.1624 115.2094 57.6199 29.2340 177.6437 49 T 4.3070 7.6962 118.7723 61.9312 67.1126 172.4223 50 L 4.4601 7.5999 132.0127 55.6823 42.7750 174.8217 51 P 3.8435 0.0000 0.0000 64.5570 33.1866 179.1928 52 R 3.9535 8.6525 120.5476 56.2696 29.1944 176.9005 53 D 4.3520 9.3020 119.0893 56.4553 41.9323 177.3890 54 S 4.4701 7.7537 113.2060 59.6974 62.7844 174.1398 55 S 4.0380 8.6474 117.5670 58.0990 63.4035 172.7836 56 P 4.3481 0.0000 0.0000 65.9834 31.4210 178.1981 57 S 4.3359 7.9131 111.5811 59.0120 62.1713 174.5262 58 R 4.4535 7.6316 117.7115 55.9774 30.5270 176.2030 59 Q 4.4489 7.7406 117.8231 54.9251 29.7942 175.8320 60 R 4.4136 8.8674 118.9585 56.5974 29.2437 179.3564 61 N 3.3995 8.6071 112.5575 51.5732 39.3945 174.5630 62 R 4.5563 7.2304 118.9210 55.3495 30.2936 175.9470 63 C 4.4683 8.2767 119.3348 59.3519 32.2678 174.4237 64 R 3.9832 8.6003 127.2497 59.4020 30.3455 177.0351 65 Q 3.9628 8.0402 115.5587 57.3746 28.1093 176.9001 66 T 3.9296 8.7408 113.2149 66.0354 69.2982 177.3153 67 G 4.5550 8.2094 109.8074 44.7659 0.0000 173.3203 68 R 3.9726 8.2774 120.7824 55.1412 30.1150 175.2881 69 P 4.4312 0.0000 0.0000 65.1298 32.9066 176.4540 70 H 4.6383 7.7832 111.4514 55.8869 28.2511 177.6044 71 G 4.1619 8.4570 126.1954 44.6600 0.0000 172.0304 72 F 5.5449 8.5720 127.9254 56.2557 43.5640 174.0258 73 L 4.2587 6.3701 121.2608 53.2604 44.6836 177.2807 74 R 4.0125 8.9175 123.9384 59.3988 30.0943 178.0220 75 K 3.6168 7.7809 116.3091 59.6168 31.9598 177.2414 76 F 4.3167 7.5958 115.8139 57.6441 39.8364 176.8495 77 G 4.0145 8.8202 109.3558 46.0970 0.0000 172.8611 78 L 5.2465 7.2372 118.1081 51.6187 45.5974 176.2870 79 S 5.1800 8.6556 116.5232 57.7554 64.5800 175.0816 80 R 3.8827 8.6093 120.3946 60.0536 28.6623 178.8771 81 I 3.6865 7.6577 119.4925 64.0280 37.2601 178.1058 82 K 3.8193 8.0683 118.7177 59.8093 31.8367 178.7210 83 V 3.2825 7.7212 117.9166 66.5449 31.3669 177.6674 84 R 3.7822 7.6773 116.6018 59.3578 29.1690 177.8306 85 E 3.8459 8.4879 118.8114 59.5431 29.6899 179.2152 86 A 3.9531 8.3698 120.4155 55.1167 18.4438 179.3193 87 A 3.9478 8.3117 118.1414 55.2408 18.6225 179.6617 88 M 4.1303 7.8280 117.0741 58.5469 32.1031 178.7223 89 R 4.2056 7.0793 112.2988 57.1223 30.1662 177.3666 90 G 3.9016 7.7555 106.4938 46.0968 0.0000 175.1280 91 E 4.0646 8.0687 121.0448 58.7432 29.6130 177.9127 92 I 4.2698 7.4529 118.7861 59.3402 38.4744 173.9780 93 P 4.3654 0.0000 0.0000 63.5154 31.9672 176.6015 94 G 3.9069 8.6385 106.4947 46.1631 0.0000 172.5934 95 L 4.5523 7.6192 121.4627 53.2835 43.0488 175.6058 96 K 4.4157 8.1392 123.1793 55.4099 35.0612 174.9624 97 K 3.8601 8.6053 118.5731 56.7028 31.8299 177.1811 98 A 4.4381 8.5370 127.4027 52.1831 19.2353 176.7198 99 S 4.5798 8.5093 112.3321 57.4829 65.6286 175.2956 100 W 4.3636 8.1895 121.1006 57.1467 27.2122 174.0167 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 A 8.26 4.15 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 2 K 7.65 3.51 0.00 2.04 1.85 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.43 7.81 3 Q 8.32 4.04 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 4 S 8.16 4.07 0.00 4.08 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 0.00 5 M 8.01 4.01 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 6 K 8.78 3.87 0.00 2.00 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.72 7.81 7 A 8.12 4.02 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 8 R 7.62 3.82 0.00 2.12 2.00 0.00 3.14 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 9 E 7.89 3.90 0.00 2.05 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 0.00 2.28 2.35 0.00 10 V 7.58 3.59 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 0.98 0.00 0.00 0.98 0.00 0.00 11 K 8.29 4.04 0.00 1.97 1.80 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.62 7.81 12 R 7.92 4.01 0.00 1.90 2.13 0.00 3.31 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 13 V 7.75 3.53 2.31 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 1.02 0.00 0.00 1.02 0.00 0.00 14 A 7.92 4.82 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 15 L 7.83 3.93 0.00 1.85 1.71 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.10 4.99 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 17 D 8.05 4.32 0.00 2.70 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 18 K 7.99 3.87 0.00 1.99 2.03 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.90 7.81 19 Y 8.20 4.15 0.00 2.98 2.18 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 20 F 5.46 4.53 0.00 3.15 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 21 A 8.51 4.35 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.40 5.32 0.00 1.67 1.73 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.35 7.81 23 R 7.71 4.48 0.00 1.78 1.84 0.00 3.01 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 24 A 8.49 4.85 1.68 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 25 E 8.50 4.23 0.00 2.00 2.02 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 2.41 2.46 0.00 26 L 8.08 4.00 0.00 1.92 2.00 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.21 3.91 0.00 2.09 2.19 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.67 7.81 28 A 8.10 4.08 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.52 3.95 1.96 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 1.30 0.78 0.90 0.00 0.00 30 I 6.52 3.51 2.07 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 1.33 0.69 1.06 0.00 0.00 31 S 7.70 4.69 0.00 3.97 3.94 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 0.00 0.00 0.00 32 D 8.97 4.81 0.00 2.61 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 33 V 8.14 3.90 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 0.87 0.00 0.00 0.95 0.00 0.00 34 N 7.91 4.87 0.00 2.64 2.65 0.00 0.00 6.90 7.35 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 35 A 7.61 4.50 1.12 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 *40 R 7.76 4.29 0.00 2.06 2.06 0.00 3.02 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 41 W 8.37 5.54 0.00 3.22 2.91 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 42 N 8.56 4.30 0.00 2.69 2.52 0.00 0.00 7.06 8.46 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 43 A 7.28 3.81 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 3.75 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 1.09 0.00 0.00 1.26 0.00 0.00 45 L 7.76 4.06 0.00 1.73 1.92 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.33 4.37 0.00 1.85 1.82 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.51 7.81 47 L 7.88 4.13 0.00 1.98 1.88 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.16 4.35 0.00 2.39 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.11 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 49 T 7.70 4.31 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 1.21 0.00 0.00 50 L 7.60 4.46 0.00 1.66 1.70 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 3.84 0.00 1.97 1.70 0.00 3.93 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.58 0.00 52 R 8.65 3.95 0.00 2.07 1.74 0.00 3.26 0.00 0.00 3.36 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 53 D 9.30 4.35 0.00 2.66 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 54 S 7.75 4.47 0.00 3.71 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 55 S 8.65 4.04 0.00 3.96 3.64 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 56 P 0.00 4.35 0.00 2.15 2.25 0.00 3.26 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 1.91 1.81 0.00 57 S 7.91 4.34 0.00 3.82 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 58 R 7.63 4.45 0.00 2.02 1.92 0.00 3.26 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 59 Q 7.74 4.45 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.52 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 60 R 8.87 4.41 0.00 1.78 1.90 0.00 3.15 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.44 0.00 61 N 8.61 3.40 0.00 2.07 1.48 0.00 0.00 7.21 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 62 R 7.23 4.56 0.00 1.93 2.01 0.00 3.23 0.00 0.00 3.78 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 63 C 8.28 4.47 0.00 3.09 3.01 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 64 R 8.60 3.98 0.00 2.27 2.03 0.00 3.40 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 65 Q 8.04 3.96 0.00 2.09 1.92 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 2.35 2.42 0.00 66 T 8.74 3.93 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 1.23 0.00 0.00 67 G 8.21 4.55 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 0.00 0.00 0.00 68 R 8.28 3.97 0.00 1.91 1.91 0.00 3.22 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 69 P 0.00 4.43 0.00 2.06 2.11 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 70 H 7.78 4.64 0.00 3.19 2.57 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.46 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 0.00 0.00 0.00 72 F 8.57 5.54 0.00 3.12 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 6.37 4.26 0.00 1.47 1.55 1.00 0.94 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 74 R 8.92 4.01 0.00 1.80 2.09 0.00 3.32 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.81 0.00 75 K 7.78 3.62 0.00 1.32 1.19 0.00 1.27 0.00 0.00 1.38 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 F 7.60 4.32 0.00 2.96 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 77 G 8.82 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 78 L 7.24 5.25 0.00 1.71 1.53 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.66 5.18 0.00 4.10 4.09 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 80 R 8.61 3.88 0.00 2.05 2.29 0.00 2.97 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 81 I 7.66 3.69 1.87 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 1.64 0.68 0.91 0.00 0.00 82 K 8.07 3.82 0.00 1.75 1.87 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.48 7.81 83 V 7.72 3.28 2.05 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 0.29 0.00 0.00 0.87 0.00 0.00 84 R 7.68 3.78 0.00 1.89 1.99 0.00 3.16 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 85 E 8.49 3.85 0.00 2.13 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 0.00 2.30 2.35 0.00 86 A 8.37 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.31 3.95 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 88 M 7.83 4.13 0.00 2.06 2.26 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 2.59 2.86 0.00 89 R 7.08 4.21 0.00 1.79 1.98 0.00 3.17 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 90 G 7.76 3.90 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 0.00 91 E 8.07 4.06 0.00 2.00 2.02 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 2.34 2.49 0.00 92 I 7.45 4.27 1.83 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 1.31 0.43 1.15 0.00 0.00 93 P 0.00 4.37 0.00 2.24 2.19 0.00 3.93 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 94 G 8.64 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 95 L 7.62 4.55 0.00 1.85 1.59 1.06 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.14 4.42 0.00 1.87 1.75 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.48 7.81 97 K 8.61 3.86 0.00 1.79 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.40 7.81 98 A 8.54 4.44 1.56 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 99 S 8.51 4.58 0.00 3.97 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 0.00 100 W 8.19 4.36 0.00 3.37 3.15 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 * Residues marked with a * may have inaccurate shift predictions.