NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.3256 8.2993 120.0039 56.9400 33.9386 175.9643 12 F 4.5958 8.4664 116.4023 55.2600 36.4503 174.8788 13 R 4.1239 8.8902 124.8281 59.1788 31.3069 181.1488 14 V 3.0554 8.0903 117.9046 66.0135 31.6922 177.1507 15 R 3.3825 7.3857 114.2537 57.5435 25.5909 176.5975 16 N 4.3655 7.4338 120.6278 55.3392 39.3041 176.0843 17 R 4.1649 6.7080 114.8961 56.6804 30.6561 175.6044 18 I 3.5297 8.4393 122.4830 62.8531 35.1566 175.8411 19 K 4.2048 7.3202 116.4869 57.0861 31.6707 176.2994 20 R 4.4086 7.4324 116.7042 55.5190 30.0784 174.5395 21 T 4.3483 7.7193 119.1820 64.7953 71.9573 175.8685 22 G 3.8577 7.7816 114.5111 46.4638 0.0000 170.6523 23 R 3.6912 7.9952 125.0674 56.3119 30.2919 176.1798 24 L 3.5626 8.1033 117.0715 55.7345 38.7419 173.2778 25 R 4.4194 8.6602 123.0675 54.9484 32.1824 174.8168 26 L 4.9013 7.7694 127.1617 53.0615 41.2844 174.5749 27 S 4.6458 8.9079 118.9417 59.2297 64.0818 172.6066 28 V 3.6619 8.7614 124.1047 62.2054 30.1776 175.2879 29 F 4.1434 9.7528 131.7409 58.4896 38.3444 171.5783 30 R 4.7342 8.1421 127.6655 54.5828 32.3611 174.9974 31 S 4.6532 7.8938 125.2572 58.0164 60.6255 175.2593 32 L 4.6585 7.9150 115.4161 53.3851 42.5909 175.6401 33 K 4.6820 7.5926 127.6845 57.1253 33.9313 172.8592 34 H 4.9667 6.9886 114.3132 55.3235 32.9839 171.4295 35 I 4.6442 8.2178 117.1500 61.0717 40.9140 173.3235 36 Y 5.1798 9.1150 127.1790 56.8157 40.0112 174.9550 37 A 5.0032 8.8883 121.5419 50.8846 23.4865 175.7206 38 Q 4.8067 8.8421 121.9236 55.6015 32.4277 174.0198 39 I 4.5516 8.5348 129.3210 60.7838 37.6645 174.4630 40 I 4.6191 8.8937 129.1160 59.9139 39.2409 174.6671 41 D 4.8661 8.6178 127.1931 53.2518 42.0291 176.0322 42 D 4.8960 8.4882 126.6963 54.0550 42.6488 176.2996 43 E 4.2209 8.8715 119.7951 57.0085 28.2072 175.6573 44 K 4.4436 7.6621 113.1551 54.7785 34.1697 175.8455 45 G 3.9490 7.9503 106.9988 46.9530 0.0000 171.7240 46 V 4.5955 7.7672 117.1653 61.1304 35.8340 174.2357 47 T 5.1643 8.2365 116.8249 62.1163 72.4474 174.3413 48 L 4.8256 8.6929 119.4085 54.4618 45.2547 176.7329 49 V 4.5408 7.6824 119.4343 61.7483 34.9227 173.1341 50 S 5.2760 8.5926 121.4650 56.1009 66.3806 173.6576 51 A 4.3332 8.1288 116.3019 51.7395 21.0437 176.0646 52 S 4.3671 8.5345 116.8231 56.9676 65.8105 175.4567 53 S 4.7410 7.6442 118.9765 57.8498 60.8669 177.6688 54 L 4.2470 8.8150 129.3102 56.8905 41.4717 177.9157 55 A 3.9569 7.3627 121.5760 54.9887 17.8876 178.3290 56 L 3.9814 8.2374 118.3382 54.6904 43.0475 180.9232 57 K 4.0700 7.9720 120.1397 56.9714 36.3724 170.9861 58 L 3.5634 8.6561 129.6403 55.0427 42.5048 174.7762 59 K 3.5499 8.7260 125.9750 58.7602 31.8493 175.4486 60 G 4.0098 8.1357 109.1704 47.3119 0.0000 172.6875 61 N 4.5931 8.0077 118.8489 52.9552 39.4084 173.3585 62 K 4.2732 7.6693 118.9778 58.0248 33.4487 179.2226 63 T 3.7749 7.8941 111.9319 64.8549 68.7868 175.5202 64 E 3.5301 7.6125 119.4767 60.7174 29.3908 178.8976 65 V 3.9602 7.9694 119.5298 64.9392 31.8691 177.7162 66 A 4.1947 7.9955 117.7382 53.0318 18.0753 177.7292 67 R 4.3870 7.7991 118.1081 58.1323 31.8591 177.5156 68 Q 4.0019 8.2315 117.1720 58.4835 28.6370 179.6423 69 V 3.8199 7.9347 120.8386 64.6410 31.7053 178.5513 70 G 3.6701 8.2883 107.0772 47.6029 0.0000 175.5574 71 R 3.9360 8.2055 120.1243 59.1041 29.9915 178.7076 72 A 3.9594 8.0242 120.1717 55.3791 18.2526 179.0601 73 L 3.8653 8.5220 116.5681 59.4202 41.7287 180.2394 74 A 3.3193 9.0841 114.4100 53.6028 19.0726 179.0283 75 E 3.8784 8.0527 116.3149 58.8098 30.1650 179.7319 76 K 3.9295 8.3268 117.0828 59.9470 32.4926 178.3994 77 A 3.9116 10.5613 120.1354 53.5645 17.2940 179.2490 78 L 3.9199 8.4062 116.9496 57.4567 42.2218 180.6326 79 A 3.8739 7.5697 120.1999 54.5251 18.7862 179.6337 80 L 4.5838 7.7655 115.0132 55.6463 40.9957 177.6967 81 G 3.8624 9.5137 106.8237 46.6704 0.0000 174.0785 82 I 4.0809 7.4439 121.4597 60.1687 36.8525 174.1304 83 K 4.5281 7.7724 125.2063 57.4906 35.3166 175.0495 84 Q 4.3387 7.8799 117.9895 56.2398 30.1290 176.2713 85 V 4.4872 7.9172 115.0514 61.0590 36.1965 172.1212 86 A 4.8938 8.2738 122.0296 50.8176 22.4631 177.9478 87 F 4.8074 9.1177 124.5990 57.9933 41.8114 173.0382 88 D 4.0393 8.8215 115.8660 54.1647 43.6237 176.0628 89 R 4.2227 8.3382 117.8706 56.6343 30.1855 175.0495 90 G 3.7027 8.1816 111.5080 46.9492 0.0000 175.8896 91 P 4.7236 0.0000 0.0000 62.1895 30.6366 176.6311 92 Y 4.4363 8.2042 117.3430 60.2171 39.8092 176.9291 93 K 3.5519 9.0411 119.5799 62.1905 30.4873 174.6459 94 Y 4.1281 5.3700 119.7014 56.8826 39.0264 172.9410 95 H 3.6906 8.1198 130.9410 54.6987 32.0341 174.1202 96 G 3.8364 8.2871 104.8698 48.0249 0.0000 173.2482 97 R 4.3755 7.7946 116.9902 55.1888 30.6320 175.7907 98 V 4.6126 7.8035 119.4744 61.5030 33.5996 172.2261 99 K 4.6345 7.9405 117.0434 55.9641 33.2241 178.1752 100 A 4.5376 7.9694 120.4765 51.0891 17.2250 177.9014 101 L 4.6460 9.6837 121.6470 53.5157 45.4441 177.9530 102 A 4.3498 8.3211 120.8038 49.8825 16.7729 180.9747 103 E 3.5305 8.8017 111.6414 58.0986 30.5612 175.0012 104 G 3.9360 7.3006 110.2867 46.3945 0.0000 172.9103 105 A 4.6303 8.0117 123.1971 51.2868 19.6151 177.8288 106 R 4.4742 7.9304 113.2052 59.3387 29.1947 176.9352 107 E 4.0171 7.9663 121.9273 58.0729 29.2740 173.6174 108 G 2.6948 8.6985 117.9163 45.0567 0.0000 173.1716 *109 G 3.7078 7.6512 112.1055 45.7165 0.0000 172.0854 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 11 K 8.30 4.33 0.00 2.00 1.94 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.42 7.81 12 F 8.47 4.60 0.00 3.24 3.12 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 13 R 8.89 4.12 0.00 1.83 2.02 0.00 3.26 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 14 V 8.09 3.06 1.85 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 0.83 0.00 0.00 0.90 0.00 0.00 15 R 7.39 3.38 0.00 1.93 2.05 0.00 3.13 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 16 N 7.43 4.37 0.00 2.35 2.71 0.00 0.00 7.00 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 17 R 6.71 4.16 0.00 1.67 1.81 0.00 3.14 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.43 0.00 18 I 8.44 3.53 1.82 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 1.26 0.79 0.88 0.00 0.00 19 K 7.32 4.20 0.00 1.88 1.99 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.41 7.81 20 R 7.43 4.41 0.00 1.82 1.82 0.00 3.32 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 21 T 7.72 4.35 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 22 G 7.78 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 23 R 8.00 3.69 0.00 1.97 1.95 0.00 3.36 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 24 L 8.10 3.56 0.00 1.82 1.67 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.66 4.42 0.00 1.94 1.73 0.00 2.96 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 26 L 7.77 4.90 0.00 1.80 1.32 1.19 1.43 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 27 S 8.91 4.65 0.00 3.91 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 28 V 8.76 3.66 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 0.91 0.00 0.00 0.60 0.00 0.00 29 F 9.75 4.14 0.00 3.11 3.26 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 0.00 30 R 8.14 4.73 0.00 1.81 1.82 0.00 3.31 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 31 S 7.89 4.65 0.00 3.79 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 32 L 7.92 4.66 0.00 1.61 1.57 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.59 4.68 0.00 1.61 1.53 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.12 1.12 7.81 34 H 6.99 4.97 0.00 3.29 2.96 0.00 5.72 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.22 4.64 1.89 0.00 0.00 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 1.45 0.83 0.94 0.00 0.00 36 Y 9.11 5.18 0.00 2.93 2.94 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 37 A 8.89 5.00 1.26 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 0.00 0.00 0.00 38 Q 8.84 4.81 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 39 I 8.53 4.55 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.72 0.92 0.00 0.00 40 I 8.89 4.62 1.84 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 1.10 0.93 0.93 0.00 0.00 41 D 8.62 4.87 0.00 2.83 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 42 D 8.49 4.90 0.00 2.67 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 43 E 8.87 4.22 0.00 2.13 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 0.00 2.18 2.30 0.00 44 K 7.66 4.44 0.00 2.06 1.76 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.38 7.81 45 G 7.95 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 46 V 7.77 4.60 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 0.97 0.00 0.00 0.95 0.00 0.00 47 T 8.24 5.16 4.25 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 1.32 0.00 0.00 48 L 8.69 4.83 0.00 1.46 1.61 0.99 0.86 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 49 V 7.68 4.54 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 0.94 0.00 0.00 50 S 8.59 5.28 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 51 A 8.13 4.33 1.26 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 0.00 0.00 0.00 52 S 8.53 4.37 0.00 3.41 3.73 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 53 S 7.64 4.74 0.00 3.68 3.26 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 0.00 54 L 8.82 4.25 0.00 1.66 1.71 0.92 1.00 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 55 A 7.36 3.96 1.09 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 0.00 0.00 56 L 8.24 3.98 0.00 1.41 1.70 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.97 4.07 0.00 1.81 1.46 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.24 1.18 7.81 58 L 8.66 3.56 0.00 1.78 1.67 0.91 0.69 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 59 K 8.73 3.55 0.00 1.85 1.82 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.41 7.81 60 G 8.14 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 61 N 8.01 4.59 0.00 2.69 2.75 0.00 0.00 7.04 6.68 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 62 K 7.67 4.27 0.00 1.82 1.69 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.35 7.81 63 T 7.89 3.77 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 1.28 0.00 0.00 64 E 7.61 3.53 0.00 2.46 1.90 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 2.32 2.41 0.00 65 V 7.97 3.96 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 1.16 0.00 0.00 1.02 0.00 0.00 66 A 8.00 4.19 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 67 R 7.80 4.39 0.00 1.86 1.87 0.00 3.13 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 1.51 1.62 0.00 68 Q 8.23 4.00 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 69 V 7.93 3.82 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 0.89 0.00 0.00 0.96 0.00 0.00 70 G 8.29 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.21 3.94 0.00 2.00 2.05 0.00 3.13 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 72 A 8.02 3.96 1.36 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 0.00 0.00 73 L 8.52 3.87 0.00 1.82 1.77 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 74 A 9.08 3.32 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 75 E 8.05 3.88 0.00 2.04 2.03 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 2.34 2.56 0.00 76 K 8.33 3.93 0.00 1.90 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 77 A 10.56 3.91 1.36 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 0.00 0.00 78 L 8.41 3.92 0.00 1.72 1.78 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.57 3.87 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 80 L 7.77 4.58 0.00 1.76 1.75 1.04 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 81 G 9.51 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 82 I 7.44 4.08 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 1.31 1.42 0.92 0.00 0.00 83 K 7.77 4.53 0.00 1.74 1.58 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.42 7.81 84 Q 7.88 4.34 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.41 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 85 V 7.92 4.49 2.30 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 0.70 0.00 0.00 1.04 0.00 0.00 86 A 8.27 4.89 1.21 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 0.00 0.00 0.00 87 F 9.12 4.81 0.00 3.02 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 88 D 8.82 4.04 0.00 2.53 2.36 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 89 R 8.34 4.22 0.00 1.75 2.40 0.00 3.49 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 90 G 8.18 3.70 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 0.00 0.00 0.00 91 P 0.00 4.72 0.00 2.37 2.38 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 92 Y 8.20 4.44 0.00 3.21 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 93 K 9.04 3.55 0.00 1.82 2.00 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.35 7.81 94 Y 5.37 4.13 0.00 2.75 2.76 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 95 H 8.12 3.69 0.00 3.14 2.87 0.00 6.04 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 96 G 8.29 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.79 4.38 0.00 2.15 2.12 0.00 3.20 0.00 0.00 3.68 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 98 V 7.80 4.61 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 0.73 0.00 0.00 0.73 0.00 0.00 99 K 7.94 4.63 0.00 1.83 1.85 0.00 1.79 0.00 0.00 2.04 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.68 1.59 7.81 100 A 7.97 4.54 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 0.00 101 L 9.68 4.65 0.00 1.71 1.56 0.92 0.97 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 0.00 102 A 8.32 4.35 1.18 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 0.00 0.00 103 E 8.80 3.53 0.00 2.04 1.84 0.00 0.00 0.00 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 2.23 0.00 104 G 7.30 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 0.00 0.00 0.00 105 A 8.01 4.63 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 0.00 106 R 7.93 4.47 0.00 2.05 2.19 0.00 2.31 0.00 0.00 3.88 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 107 E 7.97 4.02 0.00 1.96 2.33 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 2.10 2.22 0.00 108 G 8.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *109 G 7.65 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 * Residues marked with a * may have inaccurate shift predictions.