NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0363 8.0549 120.3908 61.6029 32.9514 175.1540 4 P 4.2298 0.0000 0.0000 62.2381 32.0811 175.7085 5 L 3.9903 8.7988 123.5729 58.2783 42.6761 179.1073 6 Y 4.1706 8.3126 116.8085 59.7855 37.5404 178.0861 7 K 3.6449 7.2679 121.1292 58.6002 32.2948 178.6488 8 Q 3.9175 7.6777 118.0463 58.7777 28.6599 178.3632 9 I 3.6227 8.0759 121.0088 64.3468 37.1577 177.9904 10 A 3.9934 7.9949 120.8799 55.6220 18.0940 179.5051 11 S 4.6605 8.2309 112.8776 60.9279 62.1756 176.1273 12 L 3.9498 8.1101 123.3907 58.0500 41.9343 179.0980 13 I 3.7305 7.9079 119.8373 64.4393 37.1666 178.1492 14 E 3.9938 8.3695 119.5436 59.4605 29.2394 179.0884 15 D 4.3636 8.2661 118.9322 57.7698 40.8972 179.2731 16 S 4.2955 7.8252 115.1449 61.2319 62.9279 176.2032 17 I 4.1985 7.5561 121.8865 62.2724 37.5810 178.0108 18 V 3.7361 7.8344 119.2475 65.4771 31.4722 176.6943 19 D 4.6988 7.8468 115.9228 53.2438 39.7043 177.2912 20 G 4.0072 7.7957 108.5051 45.9175 0.0000 174.9896 21 T 3.9310 8.0286 116.0506 65.8000 68.3247 174.2940 22 L 4.8175 8.2387 121.7549 52.9197 43.8804 176.1409 23 S 4.6015 8.9069 119.9278 56.7582 64.4176 173.8778 24 I 3.9263 8.1197 123.2226 63.2752 37.1927 176.0108 25 D 4.7592 9.2181 123.4241 55.1654 39.1893 173.7399 26 Q 4.4641 7.8085 120.6812 54.5918 30.2864 174.8571 27 R 3.1220 8.0188 122.8484 55.5837 30.7338 175.8877 28 V 4.2434 7.3320 123.9680 59.9504 33.6825 173.4930 29 P 4.3862 0.0000 0.0000 62.8047 31.8118 177.2901 30 S 4.4504 8.8135 117.9514 57.7743 64.9169 175.3983 31 T 3.8751 8.4213 117.5384 67.2258 68.1400 176.4515 32 N 4.4268 8.0772 117.5983 56.2940 38.5757 177.2816 33 E 4.0570 7.9903 119.8723 59.1049 28.9705 179.4565 34 L 4.0497 8.0579 119.0286 57.8657 41.2911 179.3939 35 A 4.1716 8.1212 120.2690 54.7612 17.9484 179.3636 36 A 4.0457 7.6299 118.8549 55.5340 18.9553 178.3590 37 F 3.8860 8.6545 118.3199 61.7723 39.8403 175.4657 38 H 4.0802 7.6032 118.4697 56.2707 30.0176 176.3802 39 R 4.7515 8.4065 120.2870 53.7544 29.1934 174.9486 40 I 4.5063 7.1304 112.6250 58.0772 41.1272 175.8012 41 N 4.4201 8.4516 119.5446 52.9057 39.3823 173.7567 42 P 4.4178 0.0000 0.0000 65.9408 31.1667 178.4308 43 A 4.0691 8.5256 119.7789 55.0110 18.2572 179.6807 44 T 4.1080 8.4160 108.8083 64.6599 69.0790 177.0796 45 A 4.0351 7.9412 123.2035 55.0361 18.4698 179.4433 46 R 3.9900 8.0948 118.4745 58.9181 30.0402 178.5921 47 N 4.4542 8.0327 116.8525 55.9559 38.6499 177.3116 48 G 4.1554 8.2151 107.1704 47.9015 0.0000 175.6689 49 L 4.0838 8.1473 122.1236 57.4737 41.5703 179.8349 50 T 3.9303 8.3140 116.1632 66.3699 68.4566 176.2036 51 L 4.0105 8.4331 122.6748 58.4509 42.1530 179.1586 52 L 4.0549 7.8768 118.3560 57.6060 41.4950 179.6931 53 V 3.9799 8.1444 119.9451 65.7390 31.3685 178.0418 54 E 4.1378 8.3096 116.0553 58.4209 29.3806 178.1158 55 A 4.4490 7.6647 118.6937 51.4903 18.9954 177.5936 56 G 3.9051 7.7980 105.2641 46.4108 0.0000 174.9138 57 I 4.2590 8.3343 123.2589 62.1950 38.7749 175.7885 58 L 5.5152 7.8743 119.8187 53.1533 46.0396 175.1474 59 Y 4.9860 8.6013 117.5901 55.6886 41.2714 174.0487 60 K 4.9263 8.8848 121.4109 54.7475 34.8763 175.3900 61 K 4.4785 9.1344 126.5010 54.1361 33.3896 175.9161 62 R 3.9320 8.6733 124.5270 58.2180 30.0568 176.6552 63 G 4.0593 9.1270 113.0368 45.6998 0.0000 173.1192 64 I 4.4450 9.4340 118.5661 62.2829 41.1177 175.2822 65 G 4.0477 8.7863 110.5164 45.2266 0.0000 174.1672 *67 F 4.9267 8.5730 118.6851 57.0732 41.6770 175.1583 68 V 4.2795 8.0333 114.4827 61.1052 32.7732 176.2421 69 S 4.9396 9.4400 121.8318 58.4647 63.4723 175.6440 70 A 4.0790 8.8906 125.6053 54.7243 18.5000 178.5216 71 Q 4.3996 7.9941 111.6973 56.1349 29.6994 177.1600 72 A 4.0211 7.9093 122.3691 55.1243 18.3093 178.0769 73 P 4.1770 0.0000 0.0000 65.2691 31.2055 178.4166 74 A 4.1518 7.7217 120.4520 54.7804 18.9951 178.9600 75 L 3.9344 8.1063 117.8357 58.3230 41.7694 180.0506 76 I 3.7201 8.0595 119.7094 64.2572 37.0231 178.4427 77 R 3.8783 7.6603 118.2414 59.2552 29.9017 178.0788 78 E 3.9194 8.3375 119.0871 59.6383 29.8323 179.1624 79 R 4.0048 8.2024 117.9929 59.2477 30.0780 179.2498 80 R 4.1256 8.1657 117.8235 58.8637 30.0922 178.7051 81 D 4.4288 8.3296 118.8951 57.1700 40.8487 178.5338 82 A 4.0529 8.2421 121.1933 54.9888 18.3551 179.6306 83 A 3.9616 8.0075 118.9054 55.2627 18.4969 179.4711 84 F 4.3057 8.5387 119.0660 61.5391 39.4242 177.1862 85 A 3.8996 8.4342 120.0530 55.2421 18.0209 179.5314 86 A 4.0254 7.8924 117.9966 55.1181 18.4715 179.0348 87 T 3.9520 7.7480 110.2700 63.6148 67.7979 175.5070 88 Y 4.3006 7.9213 117.2080 58.2601 39.7999 177.6046 89 V 3.8517 7.2204 118.0658 65.0249 32.0563 177.3597 90 A 3.9629 8.2152 120.9158 55.0816 18.2563 177.8464 91 P 4.1365 0.0000 0.0000 65.5286 31.2972 178.6815 92 L 3.9227 7.7519 118.6899 58.0773 42.1010 178.9155 93 I 3.6963 7.9144 119.8227 64.6391 37.1103 178.1590 94 D 4.3743 8.3480 119.9853 57.4288 40.5489 178.5962 95 E 4.0602 8.2574 119.7464 59.2421 29.5568 178.9711 96 S 4.4596 8.4261 115.5524 61.5836 62.7839 176.8185 97 I 3.7525 8.0625 122.6437 64.6719 36.7116 177.7077 98 H 4.1067 8.0340 117.7332 59.1513 29.7299 176.2631 99 L 4.3031 8.1337 117.4963 53.5792 41.9239 176.6252 100 G 3.8372 8.0152 107.0658 46.5589 0.0000 174.5220 101 F 4.4680 8.3902 117.7709 56.9667 40.0645 176.1021 102 T 4.6100 8.2091 112.8113 60.2771 72.0730 175.6908 103 R 3.8083 8.4150 121.3076 59.6353 30.1180 178.6144 104 A 3.9680 7.8819 120.1030 55.1157 18.5238 179.4493 105 R 3.9447 8.1544 117.2831 59.3860 30.0507 178.9271 106 I 3.5926 7.7596 119.9185 64.5559 37.1267 177.9993 107 H 4.1989 8.3084 116.8676 58.7924 28.4116 177.7567 108 A 4.0052 8.1360 122.5482 55.1294 18.1512 179.6940 109 L 3.8864 7.8139 117.3725 57.6870 41.6090 179.3171 110 L 3.9123 8.0772 120.4361 58.4713 42.0164 178.8650 111 D 4.3360 8.2278 118.6179 57.3335 40.8470 178.7715 112 Q 3.9532 8.3572 118.8226 59.0769 28.5724 179.0564 113 V 3.5758 7.7971 117.6431 66.0629 31.6493 177.5427 114 A 4.1216 8.2497 120.5237 55.2288 17.9110 179.4915 115 E 3.9776 7.9876 116.7964 59.2797 29.6871 179.1617 116 S 4.5028 7.9500 112.4909 59.1105 63.1313 174.1735 117 R 4.3407 7.4504 122.1212 57.8608 30.5023 176.2962 118 G 3.8277 8.9436 111.2272 45.5252 0.0000 172.6923 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 3 V 8.05 4.04 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 0.91 0.00 0.00 0.91 0.00 0.00 4 P 0.00 4.23 0.00 2.16 2.25 0.00 3.58 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 2.20 2.24 0.00 5 L 8.80 3.99 0.00 1.79 1.77 0.93 0.84 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 6 Y 8.31 4.17 0.00 3.38 3.21 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 7 K 7.27 3.64 0.00 0.96 1.58 0.00 1.53 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.07 1.37 7.81 8 Q 7.68 3.92 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 9 I 8.08 3.62 2.06 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 1.67 1.11 0.94 0.00 0.00 10 A 7.99 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 11 S 8.23 4.66 0.00 3.92 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 12 L 8.11 3.95 0.00 2.01 1.69 0.94 1.23 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 13 I 7.91 3.73 2.02 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 1.51 0.81 0.90 0.00 0.00 14 E 8.37 3.99 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 2.60 0.00 15 D 8.27 4.36 0.00 2.97 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 16 S 7.83 4.30 0.00 3.97 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 17 I 7.56 4.20 1.87 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 1.39 1.97 0.99 0.00 0.00 18 V 7.83 3.74 2.21 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 0.89 0.00 0.00 0.99 0.00 0.00 19 D 7.85 4.70 0.00 2.86 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 20 G 7.80 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 21 T 8.03 3.93 4.36 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 1.18 0.00 0.00 22 L 8.24 4.82 0.00 1.62 1.52 0.88 0.73 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 23 S 8.91 4.60 0.00 3.88 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 24 I 8.12 3.93 1.91 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 1.63 0.50 0.99 0.00 0.00 25 D 9.22 4.76 0.00 2.92 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 26 Q 7.81 4.46 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.01 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 27 R 8.02 3.12 0.00 1.23 1.50 0.00 3.10 0.00 0.00 2.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.92 0.00 28 V 7.33 4.24 1.93 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 0.82 0.00 0.00 0.81 0.00 0.00 29 P 0.00 4.39 0.00 2.03 1.92 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 30 S 8.81 4.45 0.00 4.04 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 31 T 8.42 3.88 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 1.26 0.00 0.00 32 N 8.08 4.43 0.00 2.74 2.87 0.00 0.00 7.12 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 33 E 7.99 4.06 0.00 1.99 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 2.32 2.33 0.00 34 L 8.06 4.05 0.00 1.92 1.82 0.95 0.96 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 35 A 8.12 4.17 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 36 A 7.63 4.05 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.65 3.89 0.00 2.88 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 38 H 7.60 4.08 0.00 3.39 3.21 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.41 4.75 0.00 1.72 1.83 0.00 3.08 0.00 0.00 3.28 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 40 I 7.13 4.51 1.90 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 1.35 0.69 0.93 0.00 0.00 41 N 8.45 4.42 0.00 2.75 2.75 0.00 0.00 6.84 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 42 P 0.00 4.42 0.00 2.20 2.13 0.00 3.65 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 43 A 8.53 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 44 T 8.42 4.11 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 1.27 0.00 0.00 45 A 7.94 4.04 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.09 3.99 0.00 2.01 2.15 0.00 3.15 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 47 N 8.03 4.45 0.00 2.97 2.61 0.00 0.00 6.77 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 48 G 8.22 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 49 L 8.15 4.08 0.00 1.74 1.75 0.94 0.65 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 50 T 8.31 3.93 4.40 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 1.23 0.00 0.00 51 L 8.43 4.01 0.00 2.07 1.98 1.07 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.88 4.05 0.00 1.96 1.73 0.94 0.68 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 53 V 8.14 3.98 2.28 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 1.39 0.00 0.00 1.00 0.00 0.00 54 E 8.31 4.14 0.00 2.01 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 2.37 2.58 0.00 55 A 7.66 4.45 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 56 G 7.80 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 57 I 8.33 4.26 2.06 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 1.25 0.54 0.94 0.00 0.00 58 L 7.87 5.52 0.00 1.58 1.51 0.91 0.75 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 59 Y 8.60 4.99 0.00 2.90 2.89 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 60 K 8.88 4.93 0.00 1.84 1.79 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.75 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.67 7.81 61 K 9.13 4.48 0.00 1.84 1.67 0.00 0.75 0.00 0.00 1.29 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 0.80 7.81 62 R 8.67 3.93 0.00 1.79 1.89 0.00 3.29 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 63 G 9.13 4.06 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 0.00 0.00 0.00 64 I 9.43 4.44 2.04 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 1.33 0.66 1.28 0.00 0.00 65 G 8.79 4.05 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 0.00 0.00 0.00 *67 F 8.57 4.93 0.00 1.56 2.66 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 68 V 8.03 4.28 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 0.69 0.00 0.00 1.05 0.00 0.00 69 S 9.44 4.94 0.00 3.92 4.17 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 0.00 0.00 0.00 0.00 70 A 8.89 4.08 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 71 Q 7.99 4.40 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 72 A 7.91 4.02 1.49 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 73 P 0.00 4.18 0.00 2.28 2.34 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 74 A 7.72 4.15 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 75 L 8.11 3.93 0.00 1.82 1.76 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.06 3.72 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 1.42 1.08 0.92 0.00 0.00 77 R 7.66 3.88 0.00 2.12 2.09 0.00 3.11 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 78 E 8.34 3.92 0.00 2.23 2.15 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 2.33 2.37 0.00 79 R 8.20 4.00 0.00 1.91 1.99 0.00 3.19 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 80 R 8.17 4.13 0.00 1.92 1.99 0.00 3.12 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 81 D 8.33 4.43 0.00 3.01 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 82 A 8.24 4.05 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 83 A 8.01 3.96 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.54 4.31 0.00 3.24 3.32 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 85 A 8.43 3.90 1.48 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 0.00 0.00 0.00 86 A 7.89 4.03 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 87 T 7.75 3.95 4.05 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 1.33 0.00 0.00 88 Y 7.92 4.30 0.00 2.03 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.22 3.85 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 1.14 0.00 0.00 0.85 0.00 0.00 90 A 8.22 3.96 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 91 P 0.00 4.14 0.00 2.09 2.05 0.00 3.36 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.05 0.00 92 L 7.75 3.92 0.00 1.83 1.79 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 93 I 7.91 3.70 2.01 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 1.74 0.70 0.93 0.00 0.00 94 D 8.35 4.37 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 95 E 8.26 4.06 0.00 2.19 1.97 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 2.36 2.51 0.00 96 S 8.43 4.46 0.00 4.15 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 97 I 8.06 3.75 2.05 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 1.44 0.77 0.94 0.00 0.00 98 H 8.03 4.11 0.00 3.24 3.63 0.00 5.74 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.13 4.30 0.00 1.68 1.42 1.20 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.02 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 0.00 101 F 8.39 4.47 0.00 3.17 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 0.00 102 T 8.21 4.61 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 1.24 0.00 0.00 103 R 8.41 3.81 0.00 1.87 1.92 0.00 3.16 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 104 A 7.88 3.97 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 0.00 105 R 8.15 3.94 0.00 2.06 2.25 0.00 3.20 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.83 0.00 106 I 7.76 3.59 1.97 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.68 0.88 0.00 0.00 107 H 8.31 4.20 0.00 3.32 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.14 4.01 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 0.00 109 L 7.81 3.89 0.00 1.80 1.65 0.60 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.08 3.91 0.00 2.03 1.66 0.91 1.44 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 0.00 111 D 8.23 4.34 0.00 2.89 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 0.00 112 Q 8.36 3.95 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 113 V 7.80 3.58 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 0.81 0.00 0.00 0.96 0.00 0.00 114 A 8.25 4.12 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 0.00 115 E 7.99 3.98 0.00 2.14 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 2.45 0.00 116 S 7.95 4.50 0.00 4.06 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 0.00 117 R 7.45 4.34 0.00 1.90 1.91 0.00 3.28 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 118 G 8.94 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.