NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.0912 8.2644 123.5843 51.9879 19.7334 175.4497 2 K 3.4996 7.3798 128.0112 54.8094 30.5342 173.9583 3 Q 3.8628 8.6432 126.9471 59.0783 29.9541 178.0371 4 S 4.0728 8.1000 113.3604 61.8301 62.2988 175.7522 5 M 4.1943 7.8723 118.9233 57.1705 31.8078 178.0694 6 K 4.1099 8.1104 120.7104 58.9548 32.5906 178.1796 7 A 3.9553 7.9844 120.4380 55.2561 17.9616 179.2902 8 R 3.8393 7.7154 116.7579 59.8902 30.1449 178.6313 9 E 3.9646 8.3501 118.3320 58.6556 29.5490 178.9541 10 V 3.5868 7.9902 119.2658 65.7861 31.6153 177.8559 11 K 4.0206 7.9651 118.7894 59.0904 32.0840 178.9985 12 R 3.9201 7.6004 118.6890 59.1303 29.8403 179.0230 13 V 4.4456 8.2181 118.4750 65.8876 31.6630 177.1410 14 A 4.0523 8.2548 121.2287 54.4537 18.1963 179.0701 15 L 3.9905 8.8840 115.6459 57.8642 41.8892 179.7796 16 A 4.0944 7.8103 119.4503 54.4211 18.2538 178.2260 17 D 5.0893 8.0838 116.8485 52.8579 41.2402 178.0705 18 K 3.9644 8.2375 118.8707 60.4037 32.4288 177.2288 19 Y 4.3006 8.2567 116.1415 58.3282 38.3899 176.3347 20 F 4.2247 7.9430 118.1681 58.7701 40.3401 176.7647 21 A 4.1346 8.8290 129.7214 53.9780 18.7312 179.8352 22 K 4.6017 7.3545 117.6971 55.9197 31.7367 180.0740 23 R 3.8699 9.2113 118.4053 59.1867 29.5069 177.2982 24 A 3.7414 7.8896 119.4190 54.3450 18.5337 178.5623 25 E 4.0392 8.1592 116.8465 59.1385 30.1754 177.5285 26 L 4.3563 7.5248 120.4663 52.2944 39.8014 174.9983 27 K 4.2442 7.5541 123.4916 57.1153 36.0142 177.7150 28 A 4.0066 7.7222 122.8971 55.2708 18.7777 178.9097 29 I 3.8704 7.7290 115.5734 64.5854 37.7290 177.7565 30 I 3.9154 7.8795 119.3178 64.3375 37.4394 177.0699 31 S 4.7397 7.2315 113.3745 56.1162 62.4613 172.4364 32 D 4.3349 7.7348 118.6640 53.7636 44.0599 173.5422 33 V 3.7599 7.7611 124.3851 63.0767 30.1892 174.9521 34 N 4.9570 8.5869 120.4315 52.7270 40.7747 174.9059 35 A 4.3426 7.7512 122.4532 50.8949 20.6516 177.1719 *40 R 3.5092 8.0773 117.1413 55.2372 30.4567 174.4034 41 W 4.4319 8.2319 120.5227 56.5492 27.4505 176.0644 42 N 4.0714 8.7995 123.9626 56.4608 38.6761 176.4211 43 A 4.1403 7.6800 118.7987 53.3482 18.3884 179.0266 44 V 3.8403 7.7621 111.6369 63.6895 31.7424 177.8207 45 L 4.4263 7.9579 126.4279 54.4093 40.8914 175.0534 46 K 4.7371 7.6683 121.6140 57.7694 40.3500 178.3235 47 L 4.1226 7.3984 116.4589 56.7086 42.3987 177.5047 48 Q 4.3993 7.5757 120.6415 56.4124 27.2838 176.3194 49 T 4.7189 7.2589 111.3375 60.4770 69.2690 174.4129 50 L 4.3597 7.5203 120.0897 54.1244 43.9215 178.6933 51 P 3.1255 0.0000 0.0000 60.3688 33.7034 176.0068 52 R 4.8976 7.5843 125.4994 57.7768 27.8738 176.3240 53 D 4.5093 7.5138 114.5646 55.5310 40.8484 177.4086 54 S 4.3058 7.2374 115.8942 55.2555 60.9192 172.1671 55 S 3.5083 7.0919 115.3244 55.9520 65.2843 175.6876 56 P 4.1709 0.0000 0.0000 66.0522 31.0781 178.1606 57 S 4.2210 7.9519 109.1868 58.5336 62.5613 174.1434 58 R 4.3712 7.4342 120.0431 56.4888 31.3034 176.1420 59 Q 4.3435 7.7794 116.8485 56.2057 28.9461 174.8659 60 R 4.0263 7.7746 118.3940 55.2637 31.0832 176.0327 61 N 3.9955 7.4766 123.2809 53.1863 36.6957 172.8127 62 R 4.7353 7.3916 120.8654 54.2557 32.9445 175.1117 63 C 3.9281 8.8230 123.4323 58.7996 30.5706 174.1315 64 R 4.0172 9.0360 129.9496 59.4655 29.9286 177.6933 65 Q 4.2616 8.2130 115.4820 58.2476 29.4038 176.8226 66 T 4.1714 8.3693 106.1637 64.8021 69.6503 174.5727 67 G 3.4922 7.9646 112.4634 44.5227 0.0000 173.9497 68 R 3.8005 7.6601 121.1218 56.6852 30.0400 174.4159 69 P 4.7862 0.0000 0.0000 62.2797 32.0308 175.0697 70 H 4.8528 7.8444 116.0080 55.3678 31.6820 174.8949 71 G 4.0707 8.8917 108.6522 45.6195 0.0000 173.6188 72 F 4.5577 7.5491 120.1562 58.5284 40.1267 174.4012 73 L 4.7116 6.8792 122.9798 53.0300 45.8823 177.8475 74 R 3.9003 8.8159 122.6892 59.3906 30.4421 178.6360 75 K 3.5047 7.8011 117.0733 58.8178 31.8872 176.7862 76 F 4.6307 7.2426 114.1265 56.5236 40.9541 176.1659 77 G 3.7543 8.6147 108.6844 46.1630 0.0000 172.7099 78 L 5.0464 7.0656 118.0083 52.1636 46.1365 175.2157 79 S 4.9541 8.3031 115.0653 57.2212 65.5606 175.7390 80 R 3.7879 8.1958 122.9173 60.5120 29.0240 178.1666 81 I 3.6998 7.9404 119.7871 64.2779 37.0965 178.0053 82 K 4.0580 7.8617 119.8768 59.4133 32.1531 179.0199 83 V 3.3932 7.9837 119.6234 65.8057 31.4138 177.6385 84 R 3.7457 8.0916 118.1559 59.6894 29.7108 178.6655 85 E 3.9466 8.0572 117.3411 59.1162 29.6837 178.7214 86 A 4.1421 7.8840 120.4365 54.7200 18.4902 179.2602 87 A 3.9462 8.3498 118.8482 55.4475 18.3281 178.6527 88 M 4.5398 7.5514 114.8363 55.4332 32.1930 177.0108 89 R 4.6668 7.6518 115.5058 55.8362 33.9762 176.3013 90 G 3.7367 8.5051 112.0938 45.0763 0.0000 173.7844 91 E 3.7970 8.9971 121.3106 57.0346 28.7115 174.8509 92 I 4.1749 7.0736 126.8713 59.2305 36.7179 173.8529 93 P 4.3674 0.0000 0.0000 63.7390 31.6482 177.5150 94 G 3.8548 8.7035 108.2515 45.8037 0.0000 172.8992 95 L 4.6228 7.6037 121.9167 52.9556 43.0334 175.6658 96 K 4.6594 8.2549 123.8436 54.7472 35.4941 175.9462 97 K 3.8412 8.7348 119.9347 57.1732 32.3994 176.2601 98 A 4.9695 8.5250 125.7716 50.5674 21.6885 175.0462 99 S 4.7578 8.1295 113.0888 56.8744 66.2866 174.2823 100 W 4.1912 7.9984 116.7459 57.4280 27.1963 174.2547 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 4.09 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 2 K 7.38 3.50 0.00 2.06 1.84 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.49 7.81 3 Q 8.64 3.86 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 4 S 8.10 4.07 0.00 3.92 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 5 M 7.87 4.19 0.00 2.04 2.37 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 6 K 8.11 4.11 0.00 1.81 1.96 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.45 7.81 7 A 7.98 3.96 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 8 R 7.72 3.84 0.00 1.90 2.01 0.00 3.11 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 9 E 8.35 3.96 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 10 V 7.99 3.59 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 0.94 0.00 0.00 0.99 0.00 0.00 11 K 7.97 4.02 0.00 1.86 1.78 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.54 7.81 12 R 7.60 3.92 0.00 2.03 1.90 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 13 V 8.22 4.45 2.19 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 0.67 0.00 0.00 0.93 0.00 0.00 14 A 8.25 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.88 3.99 0.00 1.69 1.82 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.81 4.09 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 5.09 0.00 2.82 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 18 K 8.24 3.96 0.00 1.84 1.82 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.77 7.81 19 Y 8.26 4.30 0.00 3.26 3.03 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 20 F 7.94 4.22 0.00 3.43 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 21 A 8.83 4.13 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.35 4.60 0.00 1.88 1.15 0.00 1.52 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.49 7.81 23 R 9.21 3.87 0.00 1.96 2.03 0.00 3.27 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 24 A 7.89 3.74 0.12 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 25 E 8.16 4.04 0.00 2.16 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 2.51 2.36 0.00 26 L 7.52 4.36 0.00 1.76 1.68 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.55 4.24 0.00 1.88 1.92 0.00 1.37 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.34 7.81 28 A 7.72 4.01 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 29 I 7.73 3.87 1.89 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 1.43 0.58 0.95 0.00 0.00 30 I 7.88 3.92 1.91 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 1.47 0.45 0.97 0.00 0.00 31 S 7.23 4.74 0.00 4.03 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 32 D 7.73 4.33 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.76 3.76 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 0.85 0.00 0.00 0.92 0.00 0.00 34 N 8.59 4.96 0.00 2.83 2.86 0.00 0.00 6.87 7.20 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 35 A 7.75 4.34 1.16 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 *40 R 8.08 3.51 0.00 1.27 1.38 0.00 2.36 0.00 0.00 2.62 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 W 8.23 4.43 0.00 3.58 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 4.07 0.00 2.81 2.88 0.00 0.00 6.98 8.45 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 43 A 7.68 4.14 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 44 V 7.76 3.84 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 0.94 0.00 0.00 0.94 0.00 0.00 45 L 7.96 4.43 0.00 1.57 1.59 0.93 0.50 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 46 K 7.67 4.74 0.00 1.85 1.76 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.42 7.81 47 L 7.40 4.12 0.00 1.80 1.71 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.58 4.40 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.12 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 49 T 7.26 4.72 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 1.29 0.00 0.00 50 L 7.52 4.36 0.00 1.58 1.14 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 3.13 0.00 1.93 2.06 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.84 0.00 52 R 7.58 4.90 0.00 1.93 1.98 0.00 3.18 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.38 0.00 53 D 7.51 4.51 0.00 2.66 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 54 S 7.24 4.31 0.00 3.74 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 55 S 7.09 3.51 0.00 2.94 3.25 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 56 P 0.00 4.17 0.00 2.26 2.32 0.00 3.36 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 57 S 7.95 4.22 0.00 3.97 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 58 R 7.43 4.37 0.00 1.65 1.92 0.00 3.22 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 59 Q 7.78 4.34 0.00 2.34 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.38 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 60 R 7.77 4.03 0.00 1.67 2.05 0.00 3.17 0.00 0.00 3.14 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 61 N 7.48 4.00 0.00 2.50 1.99 0.00 0.00 6.69 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 7.39 4.74 0.00 1.72 1.85 0.00 3.22 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 63 C 8.82 3.93 0.00 3.18 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 64 R 9.04 4.02 0.00 2.05 2.05 0.00 3.40 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 65 Q 8.21 4.26 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 66 T 8.37 4.17 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 67 G 7.96 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 68 R 7.66 3.80 0.00 2.03 1.94 0.00 3.12 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 69 P 0.00 4.79 0.00 2.15 2.08 0.00 3.41 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 70 H 7.84 4.85 0.00 3.20 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.89 4.07 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 0.00 0.00 0.00 72 F 7.55 4.56 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.88 4.71 0.00 1.68 1.55 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.82 3.90 0.00 1.82 1.97 0.00 3.39 0.00 0.00 3.41 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.63 0.00 75 K 7.80 3.50 0.00 1.22 0.74 0.00 1.25 0.00 0.00 1.40 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.71 0.21 7.81 76 F 7.24 4.63 0.00 3.05 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 77 G 8.61 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 78 L 7.07 5.05 0.00 1.59 1.52 0.92 0.77 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 79 S 8.30 4.95 0.00 3.91 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 80 R 8.20 3.79 0.00 1.97 2.36 0.00 2.79 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 81 I 7.94 3.70 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 0.90 0.91 0.00 0.00 82 K 7.86 4.06 0.00 1.76 1.85 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.45 7.81 83 V 7.98 3.39 2.07 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 0.54 0.00 0.00 0.71 0.00 0.00 84 R 8.09 3.75 0.00 1.88 2.16 0.00 3.12 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 85 E 8.06 3.95 0.00 2.12 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 2.51 2.45 0.00 86 A 7.88 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 87 A 8.35 3.95 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 88 M 7.55 4.54 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.90 0.00 89 R 7.65 4.67 0.00 1.86 1.84 0.00 3.18 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 90 G 8.51 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 91 E 9.00 3.80 0.00 2.18 2.00 0.00 0.00 0.00 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 2.29 0.00 92 I 7.07 4.17 1.82 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.03 1.00 0.00 0.00 93 P 0.00 4.37 0.00 2.06 2.01 0.00 3.86 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 94 G 8.70 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 95 L 7.60 4.62 0.00 1.65 1.70 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.25 4.66 0.00 1.84 1.72 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.54 7.81 97 K 8.73 3.84 0.00 1.78 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 98 A 8.52 4.97 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 99 S 8.13 4.76 0.00 3.93 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 0.00 100 W 8.00 4.19 0.00 3.35 3.11 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 * Residues marked with a * may have inaccurate shift predictions.