NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2527 8.2993 121.7872 56.2928 33.3385 174.7145 7 S 4.6302 8.3094 119.2564 56.2712 66.1269 171.6138 8 H 4.7489 9.2419 118.7360 54.4096 32.9662 175.1594 9 N 4.7160 8.5037 122.6063 51.6446 37.2025 175.5718 10 L 4.0366 8.2191 122.9460 56.7727 42.1151 178.2550 11 L 4.5658 7.7132 116.2978 54.4310 42.0595 176.8759 12 E 4.0653 8.1711 121.4552 58.6260 30.0877 177.2027 13 A 4.6462 7.3646 118.5027 50.2836 18.9213 175.1789 14 V 3.4612 7.6215 120.8052 61.8411 32.6551 175.0815 15 R 4.4310 8.1938 127.1309 54.5952 31.1960 174.7016 16 F 4.8709 8.6358 123.9571 55.7682 39.7323 174.7332 17 D 4.9353 8.5714 124.6660 52.9241 43.5322 177.1771 18 D 4.7161 9.0436 127.9049 56.9574 40.2980 175.3616 19 Q 4.2445 8.9368 117.8159 57.6698 28.2127 178.7696 20 R 4.6890 7.2518 111.2548 54.3050 32.5008 174.2423 21 F 4.7835 8.4110 113.5068 57.3288 38.9664 174.6586 22 V 4.1696 8.5222 120.5556 61.2548 34.8360 173.7439 *24 E 4.2299 8.4010 119.3446 55.6789 30.8333 175.4763 25 L 4.0374 8.4722 127.4684 55.5811 42.1536 176.2982 26 V 3.9048 8.7025 127.1211 65.0121 32.6741 175.5557 27 H 4.8396 7.6156 117.5017 55.1158 33.2276 171.8456 28 E 5.1767 8.3637 125.0884 54.8133 32.5696 174.2807 29 S 4.5921 8.6378 120.4152 57.1606 66.0952 173.8420 30 E 4.1155 8.6552 117.3633 58.6114 29.6305 177.6936 31 N 4.4751 7.8176 117.2796 55.1680 39.3752 174.7911 32 F 5.2462 7.6251 110.5149 55.8294 41.7339 172.5764 33 K 5.0560 9.0773 120.8954 54.7053 34.8336 174.6416 34 I 4.9970 9.0656 127.9319 59.6299 40.1715 174.9683 35 V 4.8670 9.0921 120.3791 59.4717 35.7828 174.8167 36 S 5.2349 8.5174 118.8455 56.7623 65.4142 173.4435 37 F 4.7812 9.0430 119.8530 55.9865 42.5373 173.8986 38 T 4.6588 8.7359 120.5334 61.6518 70.7228 173.1495 39 F 5.6343 8.7986 124.6283 55.6440 42.4315 175.4329 40 K 4.2691 9.4494 122.4968 55.2999 32.8766 176.3872 41 A 4.2687 7.9859 123.6535 53.6135 18.5081 177.9980 42 G 4.0470 8.8716 111.6859 45.2985 0.0000 174.0920 43 Q 4.4771 8.1058 118.4208 56.1575 30.1371 175.0000 44 E 4.6957 8.6756 120.7241 54.7043 33.4387 174.2103 45 L 4.1357 8.5808 129.2157 52.9383 42.9562 174.0159 46 P 4.5993 0.0000 0.0000 62.5002 32.1616 176.7213 47 V 3.8696 8.3109 123.2833 63.8439 32.0402 174.5955 48 H 5.0203 8.7411 122.1975 54.9894 32.4097 171.9538 49 S 4.9888 7.9643 110.9639 58.1152 65.3138 174.3885 50 H 4.8009 8.6847 117.5605 54.0827 32.1798 173.9539 51 N 4.9357 8.8659 121.6512 52.0814 36.4332 173.7247 52 I 4.5135 7.2035 118.7933 59.2173 41.3844 174.1646 53 E 4.0523 8.4771 125.1501 56.9307 30.0897 175.6998 54 G 4.1809 7.9389 106.3223 43.6574 0.0000 172.2087 55 E 5.3014 9.1288 118.7366 54.3866 34.4043 174.8204 56 L 5.4594 9.0357 121.1564 54.0257 44.6076 174.9265 57 N 5.5335 9.1590 116.6278 51.1537 41.0173 173.3166 58 I 5.0171 8.6714 121.5192 59.7440 40.7756 174.3479 59 V 4.7811 8.8911 128.0210 61.1041 33.9745 174.7059 60 V 4.3882 8.6732 128.4482 62.2592 31.5818 176.1777 61 L 4.3286 8.9135 129.6696 56.7983 42.4469 177.4661 62 E 4.5352 8.0735 117.2510 55.6500 32.7024 175.9194 63 G 4.1574 8.7590 113.4546 45.3120 0.0000 171.9273 64 E 4.8150 8.5783 116.6094 54.9774 34.1029 175.1619 65 G 4.0109 8.6098 109.3027 46.0120 0.0000 172.0533 66 E 4.9959 8.7817 120.5765 54.7900 33.5549 175.1194 67 F 5.0159 8.9134 121.5261 57.1535 40.7836 174.6365 68 V 4.6538 8.9773 123.3005 61.3240 33.8756 174.7131 69 G 4.2742 8.9089 117.7544 43.8469 0.0000 171.0735 70 D 4.3710 8.6649 119.6114 55.5727 41.7629 177.6778 71 G 3.8247 9.3353 115.2346 46.9425 0.0000 173.7609 72 D 4.4087 7.9557 114.4854 53.5568 38.0155 176.7877 73 A 4.3518 7.6426 122.3660 52.8789 19.4115 178.0572 74 V 4.9149 8.3542 114.8202 59.7174 34.6520 175.4290 75 I 4.6578 8.5901 123.6751 58.7264 40.7675 173.2912 76 P 4.4060 0.0000 0.0000 62.9759 31.9646 176.6142 77 A 4.4556 8.6597 126.0095 49.1645 18.5984 173.6498 78 P 4.7679 0.0000 0.0000 61.1438 33.8358 176.6743 79 R 4.0067 8.3977 120.4008 58.1475 30.1038 176.7101 80 G 3.9495 9.2084 113.5386 45.0983 0.0000 173.3983 81 A 4.4597 8.3332 123.1653 51.7827 19.7600 177.0578 82 V 4.9524 8.3523 120.2524 59.8357 34.0059 174.5808 83 L 4.0502 8.4361 127.9769 53.3692 43.6012 175.1081 84 V 4.7914 8.0623 125.0440 61.0637 33.9472 174.2229 85 A 4.7059 8.6410 127.9691 49.8130 23.2227 173.8740 86 P 4.7242 0.0000 0.0000 62.2862 32.5050 178.0423 87 I 3.7340 8.5660 123.0686 64.5900 37.1231 178.4254 88 S 4.6720 7.8816 111.6191 59.3042 63.4131 173.7965 89 T 4.4398 7.4241 118.9987 61.7484 69.3899 173.1434 90 P 4.5706 0.0000 0.0000 63.5646 32.6990 174.9442 91 H 5.1020 9.0829 119.3181 54.2722 32.2611 172.6741 92 G 4.5543 9.3011 108.3730 45.0920 0.0000 171.1935 93 V 4.9302 8.3467 118.3393 60.8484 35.2399 174.0089 94 R 4.6665 8.7053 127.1108 54.2171 33.1458 173.9475 95 A 4.2443 8.6173 129.0808 51.9544 19.3647 177.6932 96 V 3.7635 8.5394 123.1691 65.1614 32.3605 175.9443 97 T 4.5875 7.7040 109.8428 59.6863 71.8833 173.2264 98 D 4.9856 8.3418 120.1392 54.0299 42.3375 175.7747 *100 K 4.5428 8.4007 120.7512 56.6779 33.6343 174.9024 101 V 5.0928 9.0167 119.8208 59.4593 36.1760 174.1052 102 L 5.0560 9.1804 124.7548 53.3937 44.7721 175.0786 103 V 4.9085 9.4260 127.1367 61.4972 33.9952 174.2230 104 T 5.0185 8.7514 124.2647 61.7659 71.6407 172.9309 105 I 4.9700 9.1194 127.2247 59.4029 40.3882 174.6438 106 A 4.9719 9.0612 128.5933 49.7002 22.0594 173.8961 107 P 4.8435 0.0000 0.0000 61.5494 32.4007 174.9494 108 P 4.4825 0.0000 0.0000 62.6085 32.1294 176.5744 109 I 3.9192 8.1678 119.2955 61.8292 37.0429 176.0966 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 6 K 8.30 4.25 0.00 1.71 1.79 0.00 1.49 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.38 7.81 7 S 8.31 4.63 0.00 4.02 3.75 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 8 H 9.24 4.75 0.00 3.07 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.50 4.72 0.00 2.80 2.76 0.00 0.00 7.15 6.74 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 10 L 8.22 4.04 0.00 1.62 1.70 0.89 0.96 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 11 L 7.71 4.57 0.00 1.62 1.68 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.17 4.07 0.00 1.96 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 0.00 2.31 2.25 0.00 13 A 7.36 4.65 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 14 V 7.62 3.46 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 0.10 0.00 0.00 0.92 0.00 0.00 15 R 8.19 4.43 0.00 1.70 1.68 0.00 3.21 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 16 F 8.64 4.87 0.00 3.09 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 17 D 8.57 4.94 0.00 2.64 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 18 D 9.04 4.72 0.00 2.74 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 19 Q 8.94 4.24 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 20 R 7.25 4.69 0.00 1.57 1.80 0.00 2.91 0.00 0.00 3.01 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 21 F 8.41 4.78 0.00 2.86 3.33 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 22 V 8.52 4.17 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 0.96 0.00 0.00 0.97 0.00 0.00 *24 E 8.40 4.23 0.00 1.83 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 2.18 2.16 0.00 25 L 8.47 4.04 0.00 1.57 1.52 0.94 0.95 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 V 8.70 3.90 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 0.51 0.00 0.00 0.84 0.00 0.00 27 H 7.62 4.84 0.00 3.16 3.00 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.36 5.18 0.00 1.92 1.70 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 2.17 2.30 0.00 29 S 8.64 4.59 0.00 4.01 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 30 E 8.66 4.12 0.00 2.08 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 0.00 2.25 2.29 0.00 31 N 7.82 4.48 0.00 2.18 2.42 0.00 0.00 6.76 7.77 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 32 F 7.63 5.25 0.00 3.00 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 33 K 9.08 5.06 0.00 1.88 1.71 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 34 I 9.07 5.00 1.72 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.04 0.80 0.00 0.00 35 V 9.09 4.87 1.71 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 0.77 0.00 0.00 1.08 0.00 0.00 36 S 8.52 5.23 0.00 3.83 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 37 F 9.04 4.78 0.00 2.75 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 0.00 0.00 0.00 0.00 38 T 8.74 4.66 4.08 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 0.46 0.00 0.00 39 F 8.80 5.63 0.00 3.06 2.98 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 40 K 9.45 4.27 0.00 2.04 1.72 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.45 1.25 7.81 41 A 7.99 4.27 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 42 G 8.87 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 43 Q 8.11 4.48 0.00 2.52 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 44 E 8.68 4.70 0.00 1.87 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 0.00 2.15 2.31 0.00 45 L 8.58 4.14 0.00 1.42 1.30 0.50 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.60 0.00 2.02 2.02 0.00 3.83 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 47 V 8.31 3.87 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 0.74 0.00 0.00 0.90 0.00 0.00 48 H 8.74 5.02 0.00 3.14 3.30 0.00 5.35 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.96 4.99 0.00 3.94 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 50 H 8.68 4.80 0.00 3.17 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.87 4.94 0.00 2.73 2.80 0.00 0.00 6.82 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.20 4.51 1.90 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 1.43 0.57 0.95 0.00 0.00 53 E 8.48 4.05 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 54 G 7.94 4.18 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 0.00 55 E 9.13 5.30 0.00 1.86 1.76 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 2.30 2.22 0.00 56 L 9.04 5.46 0.00 1.69 1.67 0.71 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.16 5.53 0.00 2.85 2.87 0.00 0.00 7.11 7.92 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 58 I 8.67 5.02 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 1.12 0.74 1.13 0.00 0.00 59 V 8.89 4.78 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 0.88 0.00 0.00 0.98 0.00 0.00 60 V 8.67 4.39 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 1.00 0.00 0.00 0.90 0.00 0.00 61 L 8.91 4.33 0.00 1.69 1.73 0.92 1.12 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 62 E 8.07 4.54 0.00 1.90 1.83 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 2.30 2.46 0.00 63 G 8.76 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 64 E 8.58 4.82 0.00 1.81 1.72 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 2.18 2.22 0.00 65 G 8.61 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 66 E 8.78 5.00 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 67 F 8.91 5.02 0.00 3.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.98 4.65 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 1.02 0.00 0.00 0.88 0.00 0.00 69 G 8.91 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 0.00 0.00 0.00 0.00 70 D 8.66 4.37 0.00 2.76 2.54 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 71 G 9.34 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.96 4.41 0.00 2.84 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.64 4.35 1.29 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 0.00 0.00 0.00 74 V 8.35 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 0.79 0.00 0.00 0.94 0.00 0.00 75 I 8.59 4.66 2.07 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 1.28 1.12 1.06 0.00 0.00 76 P 0.00 4.41 0.00 1.91 1.95 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 77 A 8.66 4.46 -0.06 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 78 P 0.00 4.77 0.00 2.12 2.18 0.00 3.76 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 2.08 1.96 0.00 79 R 8.40 4.01 0.00 1.92 1.91 0.00 3.29 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 80 G 9.21 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 81 A 8.33 4.46 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.35 4.95 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 0.74 0.00 0.00 0.90 0.00 0.00 83 L 8.44 4.05 0.00 0.27 0.75 0.54 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.06 4.79 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 0.86 0.00 0.00 0.87 0.00 0.00 85 A 8.64 4.71 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.72 0.00 2.18 1.97 0.00 3.58 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 2.10 2.08 0.00 87 I 8.57 3.73 1.90 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 1.36 0.94 1.02 0.00 0.00 88 S 7.88 4.67 0.00 3.99 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 89 T 7.42 4.44 4.38 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 1.20 0.00 0.00 90 P 0.00 4.57 0.00 2.04 1.95 0.00 3.56 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.08 0.00 91 H 9.08 5.10 0.00 3.04 3.26 0.00 5.25 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 9.30 4.55 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 0.00 0.00 0.00 93 V 8.35 4.93 1.78 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 0.69 0.00 0.00 1.00 0.00 0.00 94 R 8.71 4.67 0.00 1.71 1.56 0.00 3.26 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 95 A 8.62 4.24 1.28 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 0.00 0.00 0.00 96 V 8.54 3.76 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 0.80 0.00 0.00 0.85 0.00 0.00 97 T 7.70 4.59 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 1.20 0.00 0.00 98 D 8.34 4.99 0.00 2.66 2.58 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 *100 K 8.40 4.54 0.00 1.81 1.74 0.00 1.48 0.00 0.00 1.83 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.58 7.81 101 V 9.02 5.09 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 0.84 0.00 0.00 1.22 0.00 0.00 102 L 9.18 5.06 0.00 1.69 1.50 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 103 V 9.43 4.91 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 1.03 0.00 0.00 1.15 0.00 0.00 104 T 8.75 5.02 4.18 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 1.01 0.00 0.00 105 I 9.12 4.97 1.92 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 1.20 0.92 0.99 0.00 0.00 106 A 9.06 4.97 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 0.00 107 P 0.00 4.84 0.00 1.96 2.00 0.00 3.70 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 2.03 2.08 0.00 108 P 0.00 4.48 0.00 2.21 2.11 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 109 I 8.17 3.92 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.