NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 3.9477 8.2644 123.5389 51.1189 20.0464 175.7469 3 D 4.2273 8.3539 117.7447 54.6330 40.2138 176.0483 4 K 3.9972 8.8597 124.9209 58.6097 33.2759 177.4472 5 E 4.0055 9.7396 119.0405 55.4927 29.9193 175.4459 6 L 3.6963 7.6577 119.5885 56.0790 42.3807 176.1406 7 K 4.5507 8.6823 127.7269 56.1497 33.0341 175.3532 8 F 5.4037 9.6184 127.3503 56.0525 41.8803 174.8940 9 L 5.2535 9.1307 123.6664 53.5387 44.7847 175.2026 10 V 4.7945 9.0894 127.8561 61.4979 33.3628 174.4771 11 V 4.9014 9.0007 129.0470 61.3660 33.8879 173.7841 12 D 4.9607 8.6402 126.0199 53.1033 44.5202 176.4443 13 K 4.1483 8.6167 123.1752 58.0662 33.0718 176.7020 14 F 5.1320 8.3431 120.0621 55.6624 40.0998 175.6528 15 S 4.3400 9.1167 121.0677 62.0004 62.9932 177.5799 16 T 4.1003 7.9542 114.4372 64.0145 67.8825 175.9509 *18 R 4.3286 8.0804 122.9965 56.3604 32.3005 177.9131 19 R 3.9292 8.3478 117.7064 59.3985 29.8872 178.5928 20 I 3.6314 7.8153 119.4896 64.4194 37.0945 178.4047 21 V 3.6138 7.7713 118.4108 66.1710 31.3545 177.7132 22 R 3.8622 8.4218 118.6785 59.7290 29.8933 178.2788 23 N 4.4199 8.3152 116.1932 56.1056 38.1580 177.5031 24 L 4.0298 8.2664 121.0549 57.6954 41.7227 179.4302 25 L 3.9426 8.1630 119.2150 57.6510 41.4990 179.4655 26 K 4.1835 7.9135 120.9165 59.0567 31.8896 178.7498 27 E 4.0635 7.9333 117.9644 58.8212 29.4453 178.3355 28 L 4.3474 7.3575 116.4989 54.9318 42.0782 177.6550 29 G 3.6361 7.9938 107.9686 44.8895 0.0000 173.7114 30 F 4.8342 8.0443 119.6082 56.4448 38.4924 175.8879 31 N 4.7585 8.1244 123.9471 54.0087 39.5665 176.0374 32 N 4.7865 8.0284 118.1511 52.2935 38.0198 172.2428 33 V 5.1096 8.0217 120.9965 60.5852 34.6766 173.8741 34 E 5.0261 9.6169 126.6807 54.7114 33.1308 174.6960 35 E 5.4303 8.7836 119.6028 54.9446 33.4769 175.2045 36 A 5.0167 8.7733 122.2638 50.8945 22.4693 176.8587 37 E 4.8993 9.7781 117.4108 55.9247 30.8379 175.0969 38 D 4.5072 7.4439 118.8907 51.4542 43.3002 176.0591 39 G 3.5448 8.4635 105.9101 47.7329 0.0000 176.0726 40 V 3.5257 7.7055 119.9322 65.9218 31.7649 177.3620 41 D 4.2716 9.0588 117.9013 57.2324 40.9747 178.0566 42 A 3.8873 8.2430 121.4554 55.3300 18.4604 179.6425 43 L 3.9405 7.9421 117.3677 57.9157 41.3837 179.5641 44 N 4.3325 8.0598 115.8064 56.1885 38.7848 177.3566 45 K 4.1510 7.9893 119.7735 59.5396 32.2320 179.4274 46 L 3.7351 8.0525 119.5456 57.8462 41.2328 179.5865 47 Q 4.1193 7.9881 116.6595 58.2302 28.6894 177.9038 48 A 4.2172 8.0397 120.8915 52.0450 18.6091 178.2473 49 G 3.8798 8.0951 105.4944 45.4964 0.0000 174.0850 50 G 3.9092 8.7411 106.4671 45.2899 0.0000 173.8518 51 Y 4.1226 7.8022 116.8385 58.1128 38.3999 175.5918 52 G 4.1903 8.7824 108.2833 45.6900 0.0000 172.4249 53 F 4.6531 7.6582 120.3892 57.0966 42.9694 172.5193 54 V 4.9772 8.4840 125.2363 61.1730 34.7590 174.0603 55 I 5.1324 9.2791 128.7128 59.7843 39.5924 174.4398 56 S 5.1858 8.9314 121.9657 56.2714 64.9297 173.2954 57 D 4.7194 8.9715 126.1400 53.8940 42.4035 177.0749 58 W 4.2004 8.8576 130.8721 59.6152 31.0205 175.8506 59 N 5.0827 8.0207 113.8598 50.7381 40.0837 172.3103 *61 P 4.0719 0.0000 0.0000 63.7186 32.3723 176.8708 62 N 4.3411 8.5622 115.2207 54.4997 37.5590 174.4573 *64 D 4.3992 7.6408 116.8819 52.5836 41.7890 176.2933 65 G 3.5260 8.0170 106.6430 47.2636 0.0000 175.5568 66 L 3.6811 6.9803 122.4459 57.7285 42.0199 178.5744 67 E 3.8419 8.3888 119.3272 58.7914 29.4300 178.4916 68 L 3.8274 7.8373 120.6147 58.0180 42.1821 178.5367 69 L 3.8678 8.1468 120.6076 58.2656 42.0363 179.1432 70 K 3.9348 8.0546 118.1693 59.7448 31.7436 179.5243 71 T 3.8470 7.7604 114.9262 66.5590 68.6467 176.4259 72 I 3.8097 7.8854 121.8486 64.6482 36.9753 178.8026 73 R 3.9616 7.9903 116.9350 58.4588 29.9211 177.9593 74 A 4.5701 7.4385 117.6455 50.9987 19.3081 176.2009 75 D 4.5462 7.5220 118.5282 52.5509 41.5786 175.9749 76 G 3.9065 9.0625 116.4526 49.0084 0.0000 173.9188 77 A 4.1065 7.9200 118.6381 52.9929 17.8566 178.1722 *79 S 4.5390 7.9502 112.6013 58.4761 64.7230 174.4628 80 A 4.3795 7.7968 120.8691 51.4399 19.3234 176.4405 81 L 3.9111 7.7761 118.5709 54.9515 42.5229 175.1793 82 P 4.1602 0.0000 0.0000 62.4626 32.8017 175.4550 83 V 4.5176 8.3286 123.0785 61.3361 34.6400 174.4703 84 L 5.1334 8.8953 131.4382 53.3755 45.0773 174.3977 *86 V 4.4518 8.0245 117.7551 63.2534 32.7966 174.4670 87 T 4.7719 8.8366 121.3732 60.2460 70.4016 174.5403 88 A 4.2636 8.7517 128.7356 54.2751 19.0708 177.8254 89 E 4.6281 8.0706 113.6274 55.0368 34.0444 175.9356 90 A 4.4552 8.2824 126.2104 50.5606 18.3773 176.4205 91 K 4.2645 7.1834 122.6330 54.6344 34.6281 178.7701 92 K 3.7467 8.7121 121.3600 60.1093 31.9507 178.1362 93 E 3.8657 7.8432 117.6435 59.2437 29.2703 178.5519 94 N 3.6773 7.7214 115.4222 56.5166 38.6047 177.2921 95 I 3.1230 6.7501 119.6619 64.3628 37.1374 178.4632 96 I 3.4994 6.9342 119.8587 64.3027 36.9250 178.2901 97 A 3.9799 7.9912 121.1737 55.1367 18.1965 179.5076 98 A 4.0348 8.3318 119.1175 55.2769 18.5277 179.6113 99 A 3.9862 8.5246 119.5518 55.6599 18.2777 179.9766 100 Q 4.0073 8.5241 115.0863 58.5251 28.8253 177.9759 101 A 4.4189 7.7992 119.4517 52.0844 18.9596 177.7942 102 G 3.8622 7.8999 105.6727 45.0581 0.0000 173.9370 103 A 4.1523 7.8798 122.2880 52.1346 18.8433 179.2061 104 S 4.2101 8.8682 118.7299 61.2802 63.1223 174.2480 105 G 4.1412 7.3896 104.7169 45.7992 0.0000 172.3839 106 W 5.6880 8.0415 115.8448 54.9348 31.5566 174.8966 107 V 4.4748 8.2969 119.2431 60.2282 34.5879 173.6650 108 V 4.9059 8.4856 123.4776 61.7378 32.3991 175.1825 109 K 4.9402 8.6985 128.0750 55.1550 34.0699 175.0517 110 P 4.4132 0.0000 0.0000 62.3843 32.2860 175.5196 111 F 5.0176 7.4615 114.4674 54.6944 40.7637 175.4433 112 T 4.3260 8.3762 113.2122 60.9643 71.1812 175.6076 113 A 4.0354 8.5508 122.7263 55.2219 18.3153 179.8346 114 A 3.9405 7.9663 118.7554 55.6166 18.6077 179.7224 115 T 3.7822 8.0030 114.2023 66.7259 68.4911 176.3414 116 L 3.7009 8.1610 122.3016 58.2058 41.9548 178.5544 117 E 3.9173 8.4603 119.2858 59.4037 29.5680 178.5903 118 E 3.9184 8.2292 118.4232 59.3571 29.6379 179.5079 119 K 3.7676 7.9206 118.2783 59.3447 32.0311 179.3836 120 L 3.4469 7.8413 119.2122 57.6610 41.3992 179.1225 121 N 4.4810 8.1518 116.5222 56.5397 38.4844 177.4162 122 K 4.1395 7.7618 120.8140 59.0899 32.1645 179.4884 123 I 3.7286 7.5670 119.6384 64.1357 36.7501 178.4678 124 F 4.7106 8.2922 118.4317 60.7929 38.8831 177.1609 125 E 4.1880 9.1776 119.2391 59.5225 29.1186 179.3454 126 K 4.0440 8.1294 118.1674 58.8626 32.2511 177.7117 127 L 4.5768 7.9122 116.1422 53.3969 42.0346 176.7417 128 G 4.3029 7.8503 114.1412 46.1281 0.0000 173.8172 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 2 A 8.26 3.95 0.20 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 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.35 4.23 0.00 2.79 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 4 K 8.86 4.00 0.00 1.84 1.78 0.00 1.16 0.00 0.00 1.52 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.43 7.81 5 E 9.74 4.01 0.00 1.86 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 2.31 2.26 0.00 6 L 7.66 3.70 0.00 1.88 1.95 0.88 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.68 4.55 0.00 1.76 1.62 0.00 1.40 0.00 0.00 0.97 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.49 7.81 8 F 9.62 5.40 0.00 3.08 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 9 L 9.13 5.25 0.00 1.54 1.46 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.09 4.79 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 0.95 0.00 0.00 1.04 0.00 0.00 11 V 9.00 4.90 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 0.95 0.00 0.00 0.98 0.00 0.00 12 D 8.64 4.96 0.00 2.83 2.49 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 13 K 8.62 4.15 0.00 1.60 1.70 0.00 0.66 0.00 0.00 0.79 0.00 0.00 2.37 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.88 0.21 7.81 14 F 8.34 5.13 0.00 3.22 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 15 S 9.12 4.34 0.00 4.04 4.19 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 0.00 0.00 0.00 0.00 16 T 7.95 4.10 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 *18 R 8.08 4.33 0.00 2.07 2.07 0.00 3.31 0.00 0.00 3.62 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 19 R 8.35 3.93 0.00 2.04 2.03 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 20 I 7.82 3.63 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 0.75 0.00 0.00 21 V 7.77 3.61 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 1.26 0.00 0.00 1.05 0.00 0.00 22 R 8.42 3.86 0.00 1.99 2.07 0.00 3.18 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 23 N 8.32 4.42 0.00 3.05 2.84 0.00 0.00 7.05 6.28 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 24 L 8.27 4.03 0.00 1.87 1.80 0.84 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.16 3.94 0.00 1.75 1.60 0.53 -0.22 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 26 K 7.91 4.18 0.00 1.99 1.93 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.52 7.81 27 E 7.93 4.06 0.00 2.17 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 2.34 2.56 0.00 28 L 7.36 4.35 0.00 1.99 1.88 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.99 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 0.00 0.00 0.00 30 F 8.04 4.83 0.00 3.06 2.86 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 31 N 8.12 4.76 0.00 2.90 2.89 0.00 0.00 6.97 7.88 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 32 N 8.03 4.79 0.00 2.87 3.13 0.00 0.00 6.62 7.71 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 33 V 8.02 5.11 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 0.97 0.00 0.00 0.95 0.00 0.00 34 E 9.62 5.03 0.00 2.27 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 2.34 2.60 0.00 35 E 8.78 5.43 0.00 1.85 1.86 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 2.25 2.34 0.00 36 A 8.77 5.02 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 37 E 9.78 4.90 0.00 2.11 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 0.00 2.37 2.16 0.00 38 D 7.44 4.51 0.00 3.03 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 39 G 8.46 3.54 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 0.00 0.00 0.00 40 V 7.71 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 1.00 0.00 0.00 0.89 0.00 0.00 41 D 9.06 4.27 0.00 2.84 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 42 A 8.24 3.89 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 43 L 7.94 3.94 0.00 1.79 1.69 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.06 4.33 0.00 2.87 2.87 0.00 0.00 7.07 7.12 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 45 K 7.99 4.15 0.00 1.77 1.76 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.65 7.81 46 L 8.05 3.74 0.00 1.65 1.63 0.79 0.35 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 47 Q 7.99 4.12 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 48 A 8.04 4.22 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 49 G 8.10 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.74 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 51 Y 7.80 4.12 0.00 2.99 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 52 G 8.78 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.66 4.65 0.00 2.51 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 0.00 0.00 0.00 0.00 54 V 8.48 4.98 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 0.90 0.00 0.00 0.88 0.00 0.00 55 I 9.28 5.13 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.13 1.05 0.00 0.00 56 S 8.93 5.19 0.00 3.84 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 57 D 8.97 4.72 0.00 3.14 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 58 W 8.86 4.20 0.00 3.63 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 59 N 8.02 5.08 0.00 2.82 2.75 0.00 0.00 6.87 8.02 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 *61 P 0.00 4.07 0.00 2.16 2.06 0.00 3.76 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.93 0.00 62 N 8.56 4.34 0.00 2.87 3.02 0.00 0.00 6.91 8.06 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 *64 D 7.64 4.40 0.00 2.90 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 65 G 8.02 3.53 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 0.00 0.00 0.00 66 L 6.98 3.68 0.00 0.71 1.11 0.87 0.74 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 67 E 8.39 3.84 0.00 2.06 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 2.23 2.28 0.00 68 L 7.84 3.83 0.00 1.77 1.76 0.89 0.31 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 69 L 8.15 3.87 0.00 1.70 1.82 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.05 3.93 0.00 1.92 1.80 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.62 7.81 71 T 7.76 3.85 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 1.17 0.00 0.00 72 I 7.89 3.81 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.62 0.85 0.00 0.00 73 R 7.99 3.96 0.00 1.89 1.98 0.00 3.29 0.00 0.00 3.40 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.99 0.00 74 A 7.44 4.57 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 75 D 7.52 4.55 0.00 2.76 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 76 G 9.06 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 77 A 7.92 4.11 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 *79 S 7.95 4.54 0.00 4.06 4.20 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 0.00 0.00 0.00 0.00 80 A 7.80 4.38 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 81 L 7.78 3.91 0.00 1.60 1.54 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.16 0.00 0.49 1.44 0.00 3.53 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 83 V 8.33 4.52 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 0.93 0.00 0.00 0.86 0.00 0.00 84 L 8.90 5.13 0.00 2.00 1.78 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 *86 V 8.02 4.45 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 1.22 0.00 0.00 1.11 0.00 0.00 87 T 8.84 4.77 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 1.30 0.00 0.00 88 A 8.75 4.26 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 89 E 8.07 4.63 0.00 1.83 1.75 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 2.21 2.18 0.00 90 A 8.28 4.46 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 91 K 7.18 4.26 0.00 1.85 1.85 0.00 1.44 0.00 0.00 1.78 0.00 0.00 2.59 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 1.25 7.81 92 K 8.71 3.75 0.00 1.75 1.82 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.45 7.81 93 E 7.84 3.87 0.00 1.99 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 0.00 2.37 2.43 0.00 94 N 7.72 3.68 0.00 2.14 1.79 0.00 0.00 6.93 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 95 I 6.75 3.12 1.28 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.21 -0.89 0.00 0.00 96 I 6.93 3.50 1.85 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 1.31 0.70 0.86 0.00 0.00 97 A 7.99 3.98 1.59 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 0.00 0.00 98 A 8.33 4.03 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 A 8.52 3.99 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 0.00 100 Q 8.52 4.01 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 101 A 7.80 4.42 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 0.00 102 G 7.90 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 0.00 103 A 7.88 4.15 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.87 4.21 0.00 3.89 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 0.00 105 G 7.39 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 0.00 0.00 0.00 106 W 8.04 5.69 0.00 3.22 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 0.00 107 V 8.30 4.47 1.79 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 0.32 0.00 0.00 0.54 0.00 0.00 108 V 8.49 4.91 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 0.90 0.00 0.00 1.05 0.00 0.00 109 K 8.70 4.94 0.00 1.84 2.05 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.70 1.45 7.81 110 P 0.00 4.41 0.00 2.13 2.00 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 111 F 7.46 5.02 0.00 3.09 3.24 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 0.00 112 T 8.38 4.33 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 1.24 0.00 0.00 113 A 8.55 4.04 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 0.00 114 A 7.97 3.94 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 0.00 115 T 8.00 3.78 4.48 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 0.00 0.00 0.00 1.19 0.00 0.00 116 L 8.16 3.70 0.00 1.88 1.93 0.66 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.46 3.92 0.00 2.17 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 2.35 2.44 0.00 118 E 8.23 3.92 0.00 2.16 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 2.32 2.48 0.00 119 K 7.92 3.77 0.00 1.75 1.67 0.00 1.40 0.00 0.00 1.44 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.38 7.81 120 L 7.84 3.45 0.00 1.51 0.74 0.64 0.23 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 0.00 121 N 8.15 4.48 0.00 2.74 2.96 0.00 0.00 7.10 8.54 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 0.00 122 K 7.76 4.14 0.00 1.83 1.80 0.00 1.64 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.40 7.81 123 I 7.57 3.73 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.92 0.92 0.00 0.00 124 F 8.29 4.71 0.00 3.13 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 0.00 125 E 9.18 4.19 0.00 2.11 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 2.39 2.56 0.00 126 K 8.13 4.04 0.00 1.84 2.01 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.55 7.81 127 L 7.91 4.58 0.00 1.76 1.70 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.85 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 * Residues marked with a * may have inaccurate shift predictions.