NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.8262 8.4449 116.7835 55.7907 31.6331 174.8067 3 K 4.5029 8.8154 120.0745 54.5831 35.9469 176.1261 4 R 4.7696 8.4378 118.9838 55.9404 30.8425 176.4437 5 T 4.6488 7.3901 107.1735 59.7118 71.5743 172.1406 6 P 4.1650 0.0000 0.0000 62.6635 32.0231 176.3457 7 H 4.0748 9.5509 122.6725 58.6783 30.0051 175.8203 8 T 4.5572 7.8553 115.1752 61.2175 70.4597 175.1190 9 R 3.9571 8.3821 125.1360 56.2096 31.8343 177.6473 10 L 3.9476 8.5087 124.1497 58.2566 42.1034 179.1818 11 S 4.0970 8.1667 114.7806 62.0330 62.7089 176.6332 12 Q 3.9214 7.8728 121.2627 58.9257 28.8946 177.8532 13 V 3.5760 7.7831 119.3511 66.1321 31.5715 178.1962 14 K 3.9413 8.3549 118.3892 59.2866 31.8893 179.2208 15 K 3.8592 8.2931 119.0968 59.7714 32.0233 179.2935 16 L 4.0244 8.1436 119.0119 57.5942 41.4831 179.6850 17 V 3.5604 7.9167 118.1926 66.2900 31.3512 177.9876 18 N 4.4840 8.5722 114.3964 55.6519 38.4208 176.3917 19 A 4.3528 7.9127 120.2951 51.9088 18.9193 178.1366 20 G 3.8896 8.1877 105.7211 45.9387 0.0000 175.1122 21 Q 4.5286 7.8253 121.0231 54.5350 26.6625 175.0856 22 V 5.0103 7.5314 118.1554 61.3123 35.5575 175.2124 23 R 5.1447 9.4848 124.4425 55.0924 34.9057 173.8202 24 T 5.3483 8.7549 113.9278 59.4347 71.0030 173.6181 25 T 4.2581 8.4781 115.7034 61.0669 70.2095 175.5641 26 R 3.8983 8.7092 122.7676 59.7413 30.0518 178.9351 27 S 4.1430 8.1112 113.3465 61.4990 63.0018 176.1725 28 A 4.0524 8.0560 124.1661 54.5955 18.0968 179.3524 29 L 3.8209 7.9476 118.9952 58.3744 42.2512 179.2818 30 L 4.0141 7.9392 118.9187 57.7956 41.2920 179.2963 31 N 4.3634 8.2129 115.4951 56.2529 38.7276 176.9807 32 A 3.8359 8.2598 122.5903 55.0598 18.3509 179.0227 33 D 4.2998 8.1294 116.5054 57.6701 40.9887 178.2447 34 E 4.0347 7.8512 117.6529 58.9283 29.4790 178.3929 35 L 4.6220 7.8582 116.4701 53.9073 41.9672 176.8792 36 G 3.8463 7.9042 106.7016 46.0700 0.0000 173.4118 37 L 4.5891 7.7515 119.1352 52.3803 43.7620 177.0939 38 D 4.7320 8.2844 124.3538 52.1442 42.8418 176.4036 39 F 3.9790 8.7006 119.7198 61.9585 39.1771 176.9160 40 D 4.5751 8.4135 118.0897 57.3687 40.6566 178.8368 41 G 3.5990 8.9107 106.7017 48.0454 0.0000 175.6914 42 M 4.1050 8.1148 121.0359 58.3232 31.8441 178.6471 43 C 4.0250 7.8524 116.9417 62.8031 28.2181 175.6758 44 N 4.3226 8.4742 118.9812 56.4965 38.2429 177.0945 45 V 3.5823 7.6196 119.0772 65.9370 31.9249 177.7568 46 I 3.7273 7.6675 119.4484 64.5733 36.7641 178.4807 47 I 3.8038 7.9270 119.7019 64.2237 37.0127 178.1987 48 G 3.7200 8.1413 104.6882 45.1414 0.0000 174.0463 49 L 4.2352 7.0958 121.4769 55.0486 42.3770 176.6069 50 S 4.8790 9.2429 117.9542 56.3668 65.9128 175.3532 51 E 4.2013 8.6746 120.7995 59.5048 29.3996 179.9029 52 S 4.2490 8.1757 112.5680 61.3386 63.2352 175.1736 53 D 4.5172 8.1790 120.1029 55.7954 40.8742 176.0227 54 F 4.0450 8.0740 122.5753 58.2455 39.8380 172.8067 55 Y 4.6285 7.6856 128.6653 58.0330 39.8733 175.3074 56 K 3.8096 6.4215 115.2410 55.9192 36.2292 172.9569 57 S 5.2993 8.9398 116.0138 56.9667 64.4898 172.6278 58 M 5.3294 9.7735 126.6539 53.7922 35.6194 174.5993 59 T 4.5244 8.2151 115.8178 59.7101 69.7284 174.3990 60 T 4.3957 7.9880 121.7643 61.4719 69.1917 174.8747 *64 H 4.6224 8.0897 119.0020 56.9124 30.9363 175.1497 65 T 4.2543 7.7826 113.8711 64.1138 69.0540 174.5825 66 I 4.4423 7.3725 121.6910 59.0136 39.3033 174.5379 67 W 4.9213 8.5711 124.4909 55.0177 31.6186 175.2272 68 Q 4.9353 9.4235 122.6517 54.3250 31.2264 174.3061 69 D 5.2154 9.3233 125.0358 53.5789 42.7250 175.5163 70 V 4.8051 9.1894 124.6190 61.6869 33.4025 174.2121 71 Y 5.1189 9.2658 125.6003 55.7574 41.4773 175.1808 72 R 5.0116 8.7890 117.1583 52.6832 28.1382 173.2025 73 P 4.5680 0.0000 0.0000 63.7170 33.4953 176.8861 74 R 4.6318 8.3858 120.3798 55.0435 31.3107 175.9422 75 L 4.7728 8.7548 124.3128 52.1564 44.6432 177.8620 76 V 3.7352 8.3566 119.0574 64.9671 31.0394 177.1488 77 T 4.1475 7.7372 107.9919 61.3100 69.4451 173.2132 78 G 3.7078 8.3400 108.8262 44.0132 0.0000 172.1002 79 Q 4.7132 8.4271 120.3155 55.7996 29.8529 176.3593 80 V 4.5416 8.3925 125.4445 60.0921 34.6843 173.9127 81 Y 4.8134 8.6974 121.5347 56.5115 39.0551 174.8571 82 L 4.8717 9.0053 124.9200 53.6988 44.0536 175.4975 83 K 5.3536 9.0075 120.4411 54.6304 35.4059 175.0437 84 I 5.1365 9.0247 117.5751 59.4628 40.6714 174.4076 85 T 4.9380 8.9420 121.8303 61.7281 72.0597 172.9263 86 V 4.6820 8.5452 125.6363 61.4584 33.1049 174.9704 87 I 4.3827 8.6300 129.0931 60.8557 39.9440 175.5600 88 H 3.9582 9.6062 123.7891 57.4447 26.0525 174.0256 89 D 4.4868 8.1947 109.6581 55.3385 38.8044 174.3873 90 V 4.6007 7.6696 117.6541 61.1211 35.2360 173.6058 91 L 4.8421 8.9400 130.4342 54.2455 43.6740 174.9509 92 I 5.0965 9.2184 128.0163 59.5853 39.6662 174.7883 93 V 4.9363 8.6996 127.1115 60.0720 33.7696 175.0698 94 S 5.1369 9.3107 120.0133 56.6738 67.1774 174.4622 95 F 4.2392 8.7737 119.4900 57.8015 39.4811 175.2422 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 E 8.44 4.83 0.00 2.01 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 2.13 1.91 0.00 3 K 8.82 4.50 0.00 1.54 1.46 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.32 7.81 4 R 8.44 4.77 0.00 1.81 1.78 0.00 3.20 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.15 0.00 5 T 7.39 4.65 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 1.15 0.00 0.00 6 P 0.00 4.17 0.00 1.94 1.53 0.00 3.31 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 0.00 7 H 9.55 4.07 0.00 2.90 3.45 0.00 5.91 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.86 4.56 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 1.23 0.00 0.00 9 R 8.38 3.96 0.00 1.82 1.82 0.00 3.13 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 1.66 1.63 0.00 10 L 8.51 3.95 0.00 1.77 1.65 0.73 1.05 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 11 S 8.17 4.10 0.00 3.88 3.92 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 0.00 0.00 0.00 12 Q 7.87 3.92 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 13 V 7.78 3.58 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 0.93 0.00 0.00 1.03 0.00 0.00 14 K 8.35 3.94 0.00 1.92 1.82 0.00 1.71 0.00 0.00 1.61 0.00 0.00 3.17 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.61 7.81 15 K 8.29 3.86 0.00 1.94 1.88 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.61 7.81 16 L 8.14 4.02 0.00 1.88 1.74 0.95 0.80 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 17 V 7.92 3.56 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 1.07 0.00 0.00 0.96 0.00 0.00 18 N 8.57 4.48 0.00 2.87 2.88 0.00 0.00 7.09 7.22 0.00 0.00 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 A 7.91 4.35 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 20 G 8.19 3.89 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 0.00 0.00 0.00 21 Q 7.83 4.53 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 22 V 7.53 5.01 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 0.72 0.00 0.00 0.95 0.00 0.00 23 R 9.48 5.14 0.00 1.74 1.84 0.00 3.33 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 1.63 1.76 0.00 24 T 8.75 5.35 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 1.40 0.00 0.00 25 T 8.48 4.26 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 1.26 0.00 0.00 26 R 8.71 3.90 0.00 1.92 1.99 0.00 3.19 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 27 S 8.11 4.14 0.00 4.12 4.13 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 28 A 8.06 4.05 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 29 L 7.95 3.82 0.00 1.97 1.91 0.98 0.75 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 30 L 7.94 4.01 0.00 1.91 1.71 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.21 4.36 0.00 2.94 3.00 0.00 0.00 7.02 6.95 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 32 A 8.26 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.13 4.30 0.00 2.78 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 34 E 7.85 4.03 0.00 2.29 2.05 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 2.36 2.53 0.00 35 L 7.86 4.62 0.00 1.76 1.75 1.17 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.90 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 37 L 7.75 4.59 0.00 1.58 1.46 1.01 1.11 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 38 D 8.28 4.73 0.00 2.90 2.84 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 39 F 8.70 3.98 0.00 3.15 3.02 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 0.00 0.00 0.00 40 D 8.41 4.58 0.00 2.91 2.75 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 41 G 8.91 3.60 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 0.00 0.00 0.00 42 M 8.11 4.11 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 1.78 0.00 43 C 7.85 4.03 0.00 3.11 2.93 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 0.00 0.00 0.00 0.00 44 N 8.47 4.32 0.00 2.92 2.94 0.00 0.00 6.87 8.05 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 45 V 7.62 3.58 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 0.90 0.00 0.00 1.10 0.00 0.00 46 I 7.67 3.73 1.98 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 1.45 0.43 0.81 0.00 0.00 47 I 7.93 3.80 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.72 0.89 0.00 0.00 48 G 8.14 3.72 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 0.00 0.00 0.00 49 L 7.10 4.24 0.00 1.55 1.44 0.17 0.79 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 50 S 9.24 4.88 0.00 3.83 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 51 E 8.67 4.20 0.00 2.07 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 2.43 2.32 0.00 52 S 8.18 4.25 0.00 4.00 4.04 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 53 D 8.18 4.52 0.00 3.15 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 54 F 8.07 4.04 0.00 2.71 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 55 Y 7.69 4.63 0.00 2.59 2.83 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 56 K 6.42 3.81 0.00 1.47 1.07 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.77 1.16 7.81 57 S 8.94 5.30 0.00 4.18 3.72 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 58 M 9.77 5.33 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 59 T 8.22 4.52 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 0.55 0.00 0.00 60 T 7.99 4.40 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 1.16 0.00 0.00 *64 H 8.09 4.62 0.00 3.10 3.42 0.00 5.88 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.78 4.25 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 1.24 0.00 0.00 66 I 7.37 4.44 1.78 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 0.90 0.00 0.00 67 W 8.57 4.92 0.00 2.88 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 68 Q 9.42 4.94 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 69 D 9.32 5.22 0.00 2.89 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 70 V 9.19 4.81 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 1.32 0.00 0.00 1.03 0.00 0.00 71 Y 9.27 5.12 0.00 2.84 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 72 R 8.79 5.01 0.00 1.02 0.66 0.00 2.85 0.00 0.00 2.36 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.11 0.00 73 P 0.00 4.57 0.00 2.10 2.19 0.00 3.72 0.00 0.00 3.70 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 74 R 8.39 4.63 0.00 1.69 1.89 0.00 3.14 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 75 L 8.75 4.77 0.00 1.73 1.58 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.36 3.74 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 0.75 0.00 0.00 0.94 0.00 0.00 77 T 7.74 4.15 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 1.29 0.00 0.00 78 G 8.34 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 79 Q 8.43 4.71 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.64 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 80 V 8.39 4.54 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 0.64 0.00 0.00 0.69 0.00 0.00 81 Y 8.70 4.81 0.00 2.80 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 82 L 9.01 4.87 0.00 1.57 0.96 0.93 0.22 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 83 K 9.01 5.35 0.00 1.75 1.81 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.55 7.81 84 I 9.02 5.14 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.22 0.96 0.00 0.00 85 T 8.94 4.94 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 86 V 8.55 4.68 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 0.84 0.00 0.00 0.99 0.00 0.00 87 I 8.63 4.38 1.89 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 1.32 0.95 0.80 0.00 0.00 88 H 9.61 3.96 0.00 3.28 3.32 0.00 5.87 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 89 D 8.19 4.49 0.00 2.86 2.78 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 90 V 7.67 4.60 2.27 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 1.09 0.00 0.00 1.01 0.00 0.00 91 L 8.94 4.84 0.00 1.77 1.67 0.94 1.01 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 92 I 9.22 5.10 1.92 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 1.33 0.83 0.97 0.00 0.00 93 V 8.70 4.94 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 0.81 0.00 0.00 1.09 0.00 0.00 94 S 9.31 5.14 0.00 3.82 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 95 F 8.77 4.24 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 * Residues marked with a * may have inaccurate shift predictions.