NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3714 8.1233 123.5920 52.2663 20.9488 179.1070 5 F 4.3351 8.1358 114.5499 60.2901 38.8479 176.2180 6 K 4.1719 8.4670 118.0654 59.2019 32.3612 178.7374 7 L 4.0250 7.9213 120.3570 58.0057 42.1226 178.6114 8 L 4.1095 8.3368 120.3869 58.3763 42.0868 178.3001 9 Y 4.1664 8.4721 119.4732 60.7205 38.6992 178.0821 10 K 3.9541 8.4907 119.5134 59.9084 32.0531 179.4145 11 T 3.9139 8.0654 115.8831 66.7850 68.1396 176.8094 12 I 3.8546 7.6721 120.7562 64.3824 37.2502 178.0599 13 E 3.9501 8.0720 119.5947 59.3718 29.2372 179.2516 14 E 3.9922 8.4145 118.6901 59.3101 29.2349 179.5278 15 R 4.1038 7.6804 117.5929 58.7105 30.2405 178.5238 16 K 3.8006 7.6916 119.1855 58.5851 32.0873 178.3846 17 G 3.9552 7.8701 104.4650 44.9331 0.0000 173.7049 18 S 4.6601 7.5947 117.4275 55.2571 62.8705 170.7807 19 P 5.0588 0.0000 0.0000 61.9611 32.1343 177.2199 20 L 4.6424 8.2637 121.1735 51.9945 42.9749 174.9549 21 P 4.5476 0.0000 0.0000 65.4748 31.5005 178.1388 22 E 4.1548 8.1678 116.5953 58.5804 29.9657 177.9931 23 S 4.5334 8.4881 114.8673 57.9237 65.3073 174.6717 24 Y 4.2987 8.6196 124.5606 61.2569 38.7305 178.3921 25 T 3.6256 8.0477 116.2641 66.7651 68.6494 176.2215 26 N 4.6108 8.2578 118.1995 56.3027 38.5540 176.8303 27 Y 4.1143 7.9652 121.0949 60.6717 38.7733 178.2865 28 L 3.5954 7.8071 119.9181 57.7340 41.4467 179.5420 29 F 4.3556 7.5916 116.7359 60.4477 38.8540 177.6260 30 S 4.2757 8.2098 113.6415 61.4827 62.9891 176.5148 31 K 3.9921 7.6876 121.0568 57.1104 32.3416 177.9163 32 G 3.8040 8.2506 107.3272 44.5182 0.0000 173.0839 33 E 3.8567 8.8195 117.7683 59.9530 29.4048 179.1290 34 D 4.3366 8.1076 117.9103 57.1182 40.9335 178.7566 35 K 3.9529 7.8958 119.7773 59.4670 32.2405 179.0244 36 I 3.7175 7.6111 119.6021 64.4087 37.1212 178.2281 37 L 4.0291 8.1587 119.9721 57.7874 41.4482 179.7612 38 K 4.0260 7.9736 117.9361 59.3638 31.9140 179.5727 39 K 4.0041 7.9498 118.6222 59.4980 31.9633 179.4780 40 I 3.8628 8.0144 120.2872 64.2299 37.0008 178.8026 41 G 3.5816 8.1913 106.6368 47.6544 0.0000 175.3968 42 E 3.9213 8.2570 121.9761 59.1584 29.7042 178.7999 43 E 3.9873 8.5688 119.0262 59.4490 29.4915 178.9323 44 C 4.0931 8.3037 118.6036 62.4171 31.5948 175.5055 45 A 4.0122 8.0044 122.3769 55.2590 17.9014 179.4871 46 E 3.9039 8.2153 117.0977 59.3667 29.3719 179.8290 47 V 3.5543 7.7282 118.5537 65.8348 31.6129 178.1730 48 I 3.6785 7.6798 119.4814 64.4504 37.1250 178.4131 49 I 3.6739 7.9131 120.3833 64.4090 37.0873 178.3524 50 A 3.9880 8.1486 121.6256 55.2994 18.1785 179.2361 51 C 4.0697 8.3104 117.3315 62.6422 31.4537 176.0036 52 K 4.1105 7.9853 118.7343 58.8651 31.7216 178.2747 53 N 4.5676 7.8172 114.3974 52.8581 38.7411 174.9223 54 N 4.1365 7.6537 116.5637 54.3875 36.8914 174.9378 55 D 4.6187 7.6415 119.1289 52.7342 40.6406 176.1613 56 K 3.9430 8.3102 126.2985 59.2642 32.2954 178.5415 57 E 3.9340 8.1163 118.2659 59.4903 29.3520 178.9525 58 E 3.9297 8.2732 118.8801 59.0515 29.4366 178.9524 59 V 3.5265 7.5877 117.7244 65.8932 31.6428 177.9205 60 V 3.6652 7.5036 116.8927 65.8289 31.6963 177.8801 61 K 4.1191 7.9452 118.1811 59.3783 31.8493 180.2881 62 E 3.9865 8.2217 117.8391 56.7099 29.3580 179.1406 *64 V 3.7289 7.8368 121.0554 62.8733 33.7060 176.9050 65 D 4.4088 8.0032 118.9490 57.2200 41.0006 178.3659 66 V 3.6629 7.9467 118.9311 66.1348 31.5509 178.0165 67 F 4.3793 8.0031 117.0544 60.6827 38.7761 176.7876 68 Y 4.0329 8.5344 119.5536 61.2420 38.5930 178.0736 69 H 3.9854 8.4794 116.9784 58.8147 28.6613 177.6794 70 C 4.2659 8.3940 118.8594 62.8481 27.9827 176.1232 71 F 4.5304 8.5688 119.5994 60.5825 38.4577 177.8963 72 V 3.4867 7.8164 118.0328 65.7936 31.1428 177.8373 73 L 3.9715 8.1608 120.2062 58.0161 41.9145 178.8459 74 L 4.0106 8.2645 118.8869 57.9178 41.7818 179.2943 75 A 4.0364 8.2254 120.5309 55.3080 18.0885 179.2962 76 E 4.0158 8.4925 116.7640 59.0454 29.8649 178.2711 77 K 4.2740 8.1961 115.5291 55.2864 33.0802 176.1321 78 N 4.1500 7.7721 115.2755 54.5746 36.3449 174.6668 79 I 4.3303 8.0846 118.1800 59.0705 39.3422 176.4552 80 A 4.1315 8.3594 128.7389 51.7343 19.2661 177.8579 81 L 3.3336 7.9829 123.4937 57.8367 41.7575 179.3705 82 E 3.8963 7.8295 116.1943 59.3197 29.8022 178.4532 83 D 4.4637 7.7888 119.6456 57.0179 40.7008 178.9706 84 V 3.7395 7.2335 116.6390 63.4696 31.1227 177.7917 *86 R 4.1875 8.1440 118.6757 55.7261 31.9544 177.5368 87 E 3.8707 7.9432 117.5633 59.2297 29.5011 179.0096 88 V 3.5203 7.9796 118.5031 65.9052 31.5432 178.2332 89 K 3.9559 7.8882 117.7679 59.3191 31.9757 178.7665 90 E 3.8861 8.4536 119.9866 59.3418 29.5049 178.8502 91 R 3.8780 8.2812 119.0611 59.2910 29.8558 177.9956 92 N 4.3721 8.0566 116.2802 56.6036 39.0625 176.7468 93 G 3.7589 7.9887 105.9236 47.7818 0.0000 175.3037 94 K 4.0850 7.7762 119.9201 59.1816 32.1795 177.5929 95 L 4.3004 7.5716 122.0357 55.0025 41.7161 176.7800 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 4 A 8.12 4.37 1.20 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 5 F 8.14 4.34 0.00 3.32 3.34 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 6 K 8.47 4.17 0.00 1.89 1.93 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.59 7.81 7 L 7.92 4.02 0.00 1.83 1.74 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.34 4.11 0.00 2.10 2.24 1.15 0.85 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 9 Y 8.47 4.17 0.00 2.93 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 10 K 8.49 3.95 0.00 2.08 1.90 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.85 7.81 11 T 8.07 3.91 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 1.28 0.00 0.00 12 I 7.67 3.85 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.76 0.95 0.00 0.00 13 E 8.07 3.95 0.00 2.05 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 1.56 2.04 0.00 14 E 8.41 3.99 0.00 2.20 2.01 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 2.33 2.54 0.00 15 R 7.68 4.10 0.00 2.09 2.16 0.00 3.41 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 16 K 7.69 3.80 0.00 1.04 1.66 0.00 1.06 0.00 0.00 1.35 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.97 0.21 7.81 17 G 7.87 3.96 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 0.00 0.00 0.00 18 S 7.59 4.66 0.00 3.97 3.80 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 0.00 0.00 0.00 19 P 0.00 5.06 0.00 2.21 2.08 0.00 3.31 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 20 L 8.26 4.64 0.00 1.73 1.90 0.96 1.11 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 21 P 0.00 4.55 0.00 2.07 2.20 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 22 E 8.17 4.15 0.00 1.97 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 2.33 2.38 0.00 23 S 8.49 4.53 0.00 4.09 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 24 Y 8.62 4.30 0.00 3.05 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 25 T 8.05 3.63 4.33 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 1.05 0.00 0.00 26 N 8.26 4.61 0.00 3.00 2.97 0.00 0.00 6.68 7.34 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 27 Y 7.97 4.11 0.00 3.12 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 28 L 7.81 3.60 0.00 1.35 1.27 0.52 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.59 4.36 0.00 3.14 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 30 S 8.21 4.28 0.00 3.99 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 31 K 7.69 3.99 0.00 1.39 1.70 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.82 0.87 7.81 32 G 8.25 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.82 3.86 0.00 2.05 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 2.40 2.46 0.00 34 D 8.11 4.34 0.00 2.71 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 35 K 7.90 3.95 0.00 1.79 1.84 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.27 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.23 1.50 7.81 36 I 7.61 3.72 1.98 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.67 0.90 0.00 0.00 37 L 8.16 4.03 0.00 1.68 1.73 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.97 4.03 0.00 2.01 1.88 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.58 7.81 39 K 7.95 4.00 0.00 1.99 1.60 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.69 1.78 7.81 40 I 8.01 3.86 2.05 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 1.53 0.99 0.96 0.00 0.00 41 G 8.19 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 3.92 0.00 2.13 2.13 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 2.31 2.36 0.00 43 E 8.57 3.99 0.00 2.29 1.99 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 2.37 2.51 0.00 44 C 8.30 4.09 0.00 3.04 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 45 A 8.00 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 46 E 8.22 3.90 0.00 2.20 1.99 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 2.32 2.54 0.00 47 V 7.73 3.55 2.24 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 1.08 0.00 0.00 0.93 0.00 0.00 48 I 7.68 3.68 2.03 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 1.52 0.88 0.91 0.00 0.00 49 I 7.91 3.67 1.99 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 1.45 1.24 0.90 0.00 0.00 50 A 8.15 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 51 C 8.31 4.07 0.00 3.10 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 52 K 7.99 4.11 0.00 1.91 1.85 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.62 7.81 53 N 7.82 4.57 0.00 2.88 2.85 0.00 0.00 7.01 7.33 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 54 N 7.65 4.14 0.00 2.89 2.90 0.00 0.00 6.83 8.16 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 55 D 7.64 4.62 0.00 2.72 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 56 K 8.31 3.94 0.00 1.83 1.84 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.53 7.81 57 E 8.12 3.93 0.00 2.13 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 2.38 2.35 0.00 58 E 8.27 3.93 0.00 2.33 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 2.28 2.33 0.00 59 V 7.59 3.53 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 0.82 0.00 0.00 1.02 0.00 0.00 60 V 7.50 3.67 2.20 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 0.85 0.00 0.00 0.96 0.00 0.00 61 K 7.95 4.12 0.00 1.95 1.78 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.62 7.81 62 E 8.22 3.99 0.00 1.96 1.91 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 2.45 2.42 0.00 *64 V 7.84 3.73 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 1.00 0.00 0.00 0.91 0.00 0.00 65 D 8.00 4.41 0.00 2.93 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 66 V 7.95 3.66 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 1.12 0.00 0.00 1.00 0.00 0.00 67 F 8.00 4.38 0.00 3.15 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 68 Y 8.53 4.03 0.00 3.07 3.23 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 69 H 8.48 3.99 0.00 3.31 3.37 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 70 C 8.39 4.27 0.00 3.29 3.16 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 71 F 8.57 4.53 0.00 3.18 3.23 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 72 V 7.82 3.49 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 0.42 0.00 0.00 0.05 0.00 0.00 73 L 8.16 3.97 0.00 1.94 1.93 0.94 0.65 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 74 L 8.26 4.01 0.00 2.12 2.03 0.75 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.23 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 76 E 8.49 4.02 0.00 2.34 2.35 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 2.40 2.46 0.00 77 K 8.20 4.27 0.00 1.79 1.84 0.00 1.95 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.64 1.64 7.81 78 N 7.77 4.15 0.00 2.87 2.87 0.00 0.00 6.79 6.86 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 79 I 8.08 4.33 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 1.23 0.73 0.87 0.00 0.00 80 A 8.36 4.13 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 81 L 7.98 3.33 0.00 0.27 0.94 0.05 0.56 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 82 E 7.83 3.90 0.00 2.08 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 2.19 2.33 0.00 83 D 7.79 4.46 0.00 2.84 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 84 V 7.23 3.74 2.01 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 0.89 0.00 0.00 0.79 0.00 0.00 *86 R 8.14 4.19 0.00 2.08 1.96 0.00 3.14 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 87 E 7.94 3.87 0.00 2.06 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 2.26 2.32 0.00 88 V 7.98 3.52 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 0.90 0.00 0.00 0.84 0.00 0.00 89 K 7.89 3.96 0.00 1.97 1.82 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.45 7.81 90 E 8.45 3.89 0.00 2.06 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 0.00 2.29 2.30 0.00 91 R 8.28 3.88 0.00 2.08 2.04 0.00 3.18 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 92 N 8.06 4.37 0.00 3.00 2.84 0.00 0.00 7.20 7.60 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 93 G 7.99 3.76 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 0.00 0.00 0.00 94 K 7.78 4.08 0.00 1.93 1.89 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.70 7.81 95 L 7.57 4.30 0.00 1.76 1.58 0.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.