NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3827 8.2549 119.6579 56.0718 31.8300 174.4897 6 I 4.0292 7.7979 123.6172 60.3895 38.5024 174.1164 7 R 5.5632 8.7086 125.3310 54.5180 33.0232 175.5724 8 I 4.7520 7.9175 119.5513 60.4605 41.6920 174.4049 9 R 4.7904 8.7461 124.7805 53.7696 34.0600 175.2015 10 L 5.1658 7.9610 118.7632 53.4750 41.8335 178.1000 11 K 4.4693 8.1725 117.5375 57.9300 31.7806 178.3445 12 A 4.6139 8.8607 131.0514 51.7232 20.6989 176.4618 13 F 4.8770 8.5707 113.0291 57.0598 40.4917 174.4611 14 D 4.1648 7.4125 119.3245 53.6258 40.8354 175.7229 15 H 4.7510 8.6552 116.9588 56.4577 29.7234 175.4834 16 R 4.3006 7.8943 116.0103 57.6813 30.3479 176.6258 17 L 4.7584 8.1262 114.9934 53.9336 43.9144 176.4828 18 I 4.3647 7.4258 116.4427 60.4874 39.0165 176.1984 19 D 4.4056 7.3941 119.7406 57.9683 41.5675 177.3941 20 Q 4.3761 7.8513 115.0359 56.3155 28.5493 176.8311 21 A 4.8427 7.6632 122.0615 52.2639 21.6075 179.3068 22 T 3.9071 8.7869 110.9293 65.0854 67.4951 176.1082 23 A 4.2132 8.7855 121.9926 53.6116 17.9629 177.9531 24 E 4.3799 7.9060 117.2404 56.6567 29.7278 176.8699 25 I 4.4649 7.6299 116.4479 61.5899 39.1952 176.1705 26 V 3.9976 7.7939 118.2350 62.9568 31.1766 174.5244 27 E 4.4041 7.1590 117.5055 57.8582 31.5759 176.3877 28 T 4.3156 7.7258 109.1075 61.9914 69.6117 174.9711 29 A 4.5574 7.8278 123.9085 51.9260 20.8391 176.5475 30 K 4.5366 7.7453 115.5985 54.7479 33.9305 174.1961 31 R 4.5566 8.2288 124.0004 56.9332 33.2401 175.8380 32 T 4.4157 7.7839 105.9309 63.3662 70.9931 175.3390 33 G 3.5290 7.7067 109.9451 47.6109 0.0000 173.3970 34 A 4.1796 8.3255 124.4636 51.1463 19.4107 176.8535 35 Q 4.2043 8.5982 119.3087 57.5072 30.3664 172.4622 36 V 3.3814 7.6471 123.4432 62.2407 32.7804 171.3794 37 R 4.2291 8.8601 126.2099 56.0296 30.9509 176.2669 38 G 4.3935 7.3986 109.0792 44.1181 0.0000 170.0691 39 P 5.0020 0.0000 0.0000 61.2998 29.8186 174.0324 40 I 4.2796 7.7567 115.3567 58.4126 38.9467 175.8822 41 P 4.0676 0.0000 0.0000 64.0711 31.4523 177.0762 42 L 3.7264 7.7912 118.3761 52.4860 40.6748 171.9330 43 P 4.4352 0.0000 0.0000 62.6651 31.1937 176.2772 44 T 4.1764 8.2995 120.6783 63.3184 69.6185 174.5977 45 R 4.1658 8.4979 124.0316 56.2587 32.1478 176.1425 46 K 4.7167 8.1589 120.2889 55.4663 34.5005 174.8078 47 E 4.1500 8.7486 123.3797 55.5895 29.5738 176.5974 48 R 4.5910 7.9420 121.4907 55.5843 31.6970 174.7620 49 F 5.0368 8.5327 116.7088 57.2479 44.4316 173.9006 50 T 4.6104 8.4088 108.5911 61.3666 70.8306 173.1106 51 V 4.3577 8.3983 126.9889 60.6442 34.6398 174.9361 52 L 3.9024 8.5671 126.9329 55.5466 40.6296 177.0515 53 I 3.2096 8.8951 121.8215 64.7094 36.7836 177.2601 54 S 4.1252 8.8002 116.7712 58.2894 63.5052 171.8600 55 P 4.2559 0.0000 0.0000 63.4276 31.2377 174.8237 56 H 3.6943 9.5561 120.2550 56.5606 29.0161 176.1552 57 V 2.8740 9.0091 118.1155 63.3857 32.1988 170.7915 58 N 4.1292 8.5936 110.1892 53.6374 34.3815 174.2278 59 K 4.0227 7.8006 119.7759 60.1928 33.1307 179.9903 60 D 4.8711 8.0069 117.7237 54.2946 41.1116 176.5031 61 A 4.5987 7.8868 127.8107 50.6058 18.7164 176.6727 62 R 4.0721 9.0642 126.0642 58.2573 30.1392 174.8240 63 D 4.9279 9.0035 121.8639 52.5045 44.8135 174.8576 64 Q 4.8561 8.1687 118.0063 54.4564 31.3412 175.0514 65 Y 5.3070 8.4079 120.3404 56.2206 41.6727 174.5496 66 E 5.2426 9.0118 120.4115 54.8115 33.1296 174.9141 67 I 4.2600 8.5909 121.8356 59.8533 39.2887 174.7467 68 R 4.4593 8.2740 126.4647 55.1892 31.5715 176.8956 69 T 4.5479 8.0262 119.5424 62.0989 71.1743 172.6521 70 H 4.7489 9.1580 124.2320 54.3143 30.2413 175.3585 71 L 5.1830 8.3802 123.4628 54.0868 43.2185 175.9903 72 R 4.2618 8.0627 116.8608 56.5471 34.0618 173.7146 73 L 3.7428 8.7164 127.9706 55.1442 41.0874 178.4228 74 V 3.9080 9.3252 119.4253 61.5788 31.0105 167.3355 75 D 4.7019 8.7827 121.6566 53.5608 41.8245 172.4528 76 I 4.4908 8.2245 119.3224 60.3730 38.9452 176.1276 77 V 4.6187 7.8748 113.8989 60.6289 32.7992 176.2529 78 E 4.4091 8.0418 120.7706 54.6260 29.9189 171.6093 79 P 4.2948 0.0000 0.0000 63.3867 30.1312 176.6044 80 T 4.4630 7.9975 122.9742 63.0605 70.1172 174.8262 81 E 4.6510 8.0442 118.9797 56.0305 30.6062 176.7288 82 K 4.4086 8.0610 115.1281 57.2151 33.8366 175.5435 83 T 4.6786 7.9605 102.9044 61.5783 71.4919 174.2514 84 V 4.1693 7.8182 114.8079 62.6212 33.3864 176.0647 85 D 4.7381 8.0981 116.5344 54.1699 40.7989 176.3827 86 A 4.7699 7.6786 121.7710 52.3021 19.7801 178.1083 87 L 4.5809 7.7495 123.0926 57.9165 44.4076 178.2010 88 M 4.4808 8.0347 115.3552 55.7873 31.0756 176.4451 89 R 4.5177 8.2106 117.1918 56.0020 30.5472 176.2557 90 L 4.6712 7.5779 116.7873 53.1268 41.9297 175.1525 91 D 4.8922 8.1298 119.7974 52.6747 40.2061 179.0740 92 L 4.0570 7.5726 119.8091 55.8855 42.1512 171.6145 93 A 3.7689 8.7444 129.6562 52.4942 18.5694 179.1159 94 A 4.3458 8.4211 126.2302 53.0711 18.0384 177.6680 95 G 4.0720 7.7815 111.6539 47.7415 0.0000 175.0064 96 V 4.3622 7.5167 126.9384 61.2045 31.7193 174.1937 97 D 4.2742 7.4878 118.3703 53.5394 42.1222 175.9240 98 V 4.5659 8.1866 119.1095 59.7705 34.3290 176.1720 99 Q 4.2997 8.3504 127.0723 54.7878 27.3687 175.4579 100 I 4.2346 7.7298 118.6148 59.8714 35.5412 175.1602 101 S 4.7460 7.8384 122.8227 57.3567 66.6272 173.9003 102 L 4.4404 8.6421 122.9218 55.1212 42.0537 177.1734 *103 G 3.7274 7.9224 113.4034 45.7843 0.0000 172.9123 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 5 R 8.25 4.38 0.00 1.70 2.15 0.00 3.22 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 6 I 7.80 4.03 1.87 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 1.23 0.73 0.96 0.00 0.00 7 R 8.71 5.56 0.00 1.74 1.86 0.00 3.13 0.00 0.00 3.08 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 8 I 7.92 4.75 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 1.35 0.92 0.95 0.00 0.00 9 R 8.75 4.79 0.00 1.73 1.80 0.00 3.08 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 10 L 7.96 5.17 0.00 1.74 1.57 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.17 4.47 0.00 1.86 1.94 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.45 7.81 12 A 8.86 4.61 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 13 F 8.57 4.88 0.00 2.89 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 14 D 7.41 4.16 0.00 2.86 2.81 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 0.00 0.00 0.00 15 H 8.66 4.75 0.00 3.01 3.31 0.00 5.74 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 16 R 7.89 4.30 0.00 2.20 1.96 0.00 3.22 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 17 L 8.13 4.76 0.00 1.85 1.64 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.43 4.36 2.03 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 1.21 1.94 0.99 0.00 0.00 19 D 7.39 4.41 0.00 2.41 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.85 4.38 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 21 A 7.66 4.84 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 22 T 8.79 3.91 4.35 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 1.29 0.00 0.00 23 A 8.79 4.21 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 24 E 7.91 4.38 0.00 2.16 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 0.00 2.28 2.33 0.00 25 I 7.63 4.46 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 1.18 0.99 0.91 0.00 0.00 26 V 7.79 4.00 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 0.78 0.00 0.00 0.94 0.00 0.00 27 E 7.16 4.40 0.00 2.07 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 2.20 2.21 0.00 28 T 7.73 4.32 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 29 A 7.83 4.56 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 30 K 7.75 4.54 0.00 1.71 1.66 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.51 7.81 31 R 8.23 4.56 0.00 1.78 1.80 0.00 3.20 0.00 0.00 3.28 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 32 T 7.78 4.42 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 33 G 7.71 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 4.18 1.25 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 0.00 0.00 0.00 35 Q 8.60 4.20 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 5.89 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 36 V 7.65 3.38 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 0.81 0.00 0.00 0.93 0.00 0.00 37 R 8.86 4.23 0.00 1.89 1.93 0.00 3.43 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 38 G 7.40 4.39 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 0.00 39 P 0.00 5.00 0.00 2.07 2.04 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 40 I 7.76 4.28 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 1.62 0.88 0.91 0.00 0.00 41 P 0.00 4.07 0.00 2.20 2.22 0.00 3.88 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 1.99 1.98 0.00 42 L 7.79 3.73 0.00 1.84 1.77 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.44 0.00 2.16 2.07 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 44 T 8.30 4.18 4.19 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 1.16 0.00 0.00 45 R 8.50 4.17 0.00 1.72 1.81 0.00 3.25 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 46 K 8.16 4.72 0.00 1.50 1.79 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.45 7.81 47 E 8.75 4.15 0.00 1.97 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 2.32 2.17 0.00 48 R 7.94 4.59 0.00 1.73 2.10 0.00 3.31 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 49 F 8.53 5.04 0.00 3.46 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 50 T 8.41 4.61 4.21 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 1.19 0.00 0.00 51 V 8.40 4.36 1.96 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 0.98 0.00 0.00 0.95 0.00 0.00 52 L 8.57 3.90 0.00 1.55 1.64 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.90 3.21 1.89 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 1.39 0.44 0.92 0.00 0.00 54 S 8.80 4.13 0.00 3.83 3.81 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 0.00 0.00 0.00 55 P 0.00 4.26 0.00 2.09 2.00 0.00 3.90 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 56 H 9.56 3.69 0.00 3.36 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 9.01 2.87 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 0.61 0.00 0.00 0.87 0.00 0.00 58 N 8.59 4.13 0.00 2.91 2.96 0.00 0.00 6.78 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.80 4.02 0.00 1.92 2.07 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.47 7.81 60 D 8.01 4.87 0.00 2.68 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 61 A 7.89 4.60 0.99 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 0.00 0.00 62 R 9.06 4.07 0.00 1.94 1.92 0.00 3.14 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 63 D 9.00 4.93 0.00 2.14 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 0.00 0.00 0.00 64 Q 8.17 4.86 0.00 1.86 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.68 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 65 Y 8.41 5.31 0.00 2.99 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 66 E 9.01 5.24 0.00 1.90 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 2.18 2.31 0.00 67 I 8.59 4.26 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.30 0.51 0.00 0.00 68 R 8.27 4.46 0.00 1.58 1.67 0.00 3.10 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.74 0.00 69 T 8.03 4.55 4.20 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 1.35 0.00 0.00 70 H 9.16 4.75 0.00 3.11 3.24 0.00 5.90 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.38 5.18 0.00 1.65 1.72 0.94 0.67 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 72 R 8.06 4.26 0.00 1.73 1.84 0.00 3.31 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 73 L 8.72 3.74 0.00 1.73 1.43 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 74 V 9.33 3.91 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 0.91 0.00 0.00 0.94 0.00 0.00 75 D 8.78 4.70 0.00 3.01 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.22 4.49 1.87 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 1.35 0.79 0.91 0.00 0.00 77 V 7.87 4.62 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 0.73 0.00 0.00 1.02 0.00 0.00 78 E 8.04 4.41 0.00 2.03 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 2.19 2.34 0.00 79 P 0.00 4.29 0.00 2.21 2.11 0.00 3.81 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 1.99 2.00 0.00 80 T 8.00 4.46 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 81 E 8.04 4.65 0.00 1.89 1.88 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 2.19 2.20 0.00 82 K 8.06 4.41 0.00 1.65 1.70 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.35 7.81 83 T 7.96 4.68 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 1.26 0.00 0.00 84 V 7.82 4.17 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 0.79 0.00 0.00 0.95 0.00 0.00 85 D 8.10 4.74 0.00 2.66 2.68 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 0.00 0.00 0.00 0.00 86 A 7.68 4.77 1.25 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 0.00 0.00 0.00 87 L 7.75 4.58 0.00 1.70 1.61 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 88 M 8.03 4.48 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 89 R 8.21 4.52 0.00 1.69 1.88 0.00 3.24 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 90 L 7.58 4.67 0.00 1.62 1.74 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.13 4.89 0.00 2.75 2.71 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 92 L 7.57 4.06 0.00 1.76 1.69 0.91 0.85 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 93 A 8.74 3.77 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 94 A 8.42 4.35 1.25 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 0.00 0.00 0.00 95 G 7.78 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 0.00 0.00 0.00 96 V 7.52 4.36 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 0.93 0.00 0.00 0.97 0.00 0.00 97 D 7.49 4.27 0.00 2.66 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 98 V 8.19 4.57 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 0.78 0.00 0.00 0.93 0.00 0.00 99 Q 8.35 4.30 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.42 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 100 I 7.73 4.23 1.87 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 1.23 0.71 0.91 0.00 0.00 101 S 7.84 4.75 0.00 3.87 3.68 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 0.00 0.00 0.00 0.00 102 L 8.64 4.44 0.00 1.67 1.68 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *103 G 7.92 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.