NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3460 8.1744 110.9403 60.9945 70.9520 173.6006 3 V 4.4019 7.4391 120.7035 58.3441 34.7247 173.8658 4 S 4.5009 9.5143 123.3563 57.6513 66.2305 174.4824 5 D 4.3842 8.6728 123.2949 57.9442 40.5816 179.2782 6 R 3.8903 8.0464 118.1918 59.6596 30.0204 178.1031 7 E 3.9790 8.2915 118.1521 59.4499 29.3947 179.4433 8 L 4.0138 7.8994 118.7365 57.7109 41.6783 179.2778 9 E 3.9456 8.3519 118.6738 59.5617 29.3662 179.1531 10 E 4.0034 8.4041 119.3047 59.2059 29.5677 178.4636 11 C 4.0761 8.1525 118.9590 62.3506 31.5828 175.2989 12 I 3.5682 7.8296 121.5649 64.6608 36.7371 178.5739 13 R 3.8530 7.9753 118.2956 59.1540 29.7066 179.0467 14 A 4.0605 8.0325 119.6046 55.1797 18.5847 179.4464 15 L 4.0529 8.1943 117.8653 57.8447 41.7169 179.7298 16 L 3.7072 7.8359 119.1089 57.7658 41.1680 178.9559 17 D 4.8063 8.5957 116.9230 57.4949 41.2234 177.7127 18 A 4.2637 7.6757 119.2298 52.5794 18.8120 177.3393 19 R 4.4589 7.1533 115.8222 53.8537 32.2010 176.1321 20 A 4.2492 8.2397 122.1440 52.1607 19.3176 177.4719 21 D 4.5075 8.7923 119.6258 56.1284 40.9630 180.0396 22 S 4.0197 8.4194 111.1126 58.7898 61.5393 170.5588 23 A 4.2143 7.4723 122.5383 52.4681 18.5976 175.9074 24 S 4.9003 8.0448 113.1486 57.1085 66.6642 172.5428 25 I 4.8370 8.5960 113.2991 59.1721 41.3921 173.7011 26 C 5.0453 8.5886 116.3736 55.3803 32.5948 173.3410 27 P 4.2210 0.0000 0.0000 65.9225 30.7810 179.0921 28 S 3.8580 7.9563 112.3325 61.2091 62.8119 176.1847 29 D 4.1210 7.8048 122.5700 57.0737 40.5430 178.8001 30 V 3.4660 7.5882 117.8680 66.0180 31.6447 177.5796 31 A 4.0870 8.1015 120.5741 55.5387 18.3164 179.8846 32 R 3.8680 8.0800 116.2841 59.1102 29.8297 179.1599 33 A 4.0811 7.5194 119.5490 55.1782 18.4630 179.7380 34 V 3.8692 7.7990 109.6485 63.1812 33.3005 177.1046 35 A 4.7858 8.3197 121.1231 49.7958 19.2731 174.6204 36 P 4.5449 0.0000 0.0000 64.6116 31.8204 178.3500 37 D 4.5984 8.0335 116.2172 55.6267 41.2922 176.1098 38 D 4.4847 7.9900 113.7613 53.5897 43.5079 174.5544 39 W 4.7125 7.3076 120.3636 56.9656 29.8326 179.7928 40 R 3.6443 7.1124 117.7292 58.6365 29.4499 176.1907 41 P 4.3305 0.0000 0.0000 64.7220 32.0209 177.0811 42 L 4.3021 7.7597 121.3482 53.4443 40.3848 176.7696 *44 E 4.2719 7.9620 121.5417 55.8867 32.1952 176.7847 45 P 4.2628 0.0000 0.0000 65.8425 31.1766 178.7601 46 V 3.6079 8.1488 117.0467 66.0062 31.4658 178.2220 47 R 3.9137 8.0085 117.3667 59.3354 29.8578 178.7432 48 E 3.9513 8.3477 118.0577 59.1957 29.4653 179.1135 49 A 3.9454 8.1233 120.5320 55.3044 18.4315 179.3113 50 A 4.0234 8.2406 119.4501 55.4344 18.2690 180.1391 51 G 3.5350 8.1566 103.9584 47.9964 0.0000 176.1377 52 R 3.9565 8.1652 120.8475 59.0980 30.2165 179.2798 53 L 4.0998 8.1984 118.4392 57.3822 41.5542 179.4884 54 A 4.7580 8.2982 122.7410 54.9735 18.1567 179.3169 55 D 4.3438 8.2873 116.2983 57.3654 40.9802 178.3404 56 A 4.2981 7.7970 118.5292 52.3869 18.8223 178.3882 57 G 3.9622 8.0018 105.3836 45.3979 0.0000 174.7502 58 E 4.2228 8.3048 120.4525 58.6841 29.9353 177.0234 59 V 5.1825 7.6372 109.6641 59.5747 36.3973 174.4984 60 E 5.0032 9.3413 121.1526 54.6503 33.2294 175.2490 61 V 4.8788 8.2956 121.9033 61.3870 34.3929 174.4204 62 T 5.2422 8.8119 116.8250 60.0687 72.6733 172.5771 63 Q 4.5805 8.8481 123.6474 55.0611 32.6701 175.0236 64 K 3.5888 9.9784 126.2781 57.4512 29.8705 176.1377 65 G 3.9539 8.5211 106.6595 45.2138 0.0000 174.0078 66 A 4.5128 7.5883 123.0693 50.4676 20.2139 176.5021 67 V 4.2120 8.2200 122.3691 63.2472 32.1132 175.5325 68 V 4.6105 8.7531 120.4290 59.5449 36.3781 174.2778 69 D 4.7604 8.4765 121.8113 52.6542 41.6034 175.5245 70 P 4.3770 0.0000 0.0000 65.4706 31.6098 177.8301 71 R 4.1073 8.4463 117.8133 58.1873 30.2206 177.4262 72 S 4.5108 7.7012 112.5102 59.2598 64.2942 174.9200 73 A 4.0852 7.8342 122.6191 51.8853 18.7193 176.2959 74 R 4.2551 8.5288 122.7142 55.8454 31.2779 177.4079 75 G 3.8511 8.6229 114.2501 43.7596 0.0000 170.5606 76 P 4.2766 0.0000 0.0000 63.2048 31.5874 175.6752 77 I 4.8940 8.0289 114.5869 59.3361 41.2529 174.3055 78 R 4.8876 9.1292 121.1440 54.4466 33.6201 175.0856 79 I 4.9975 9.0327 122.9356 59.5107 40.3643 174.9238 80 R 4.7904 8.8264 122.4068 53.6245 33.2541 174.6315 81 W 5.0631 8.5909 120.3000 57.4966 29.7177 176.2178 82 T 4.1988 8.7303 121.2749 63.7460 68.5084 174.5054 83 R 4.6640 8.3731 123.3422 55.9936 31.5002 175.7568 84 T 3.9628 8.0130 114.7273 63.5796 68.9838 174.0775 85 D 4.5390 8.7412 124.0993 54.8864 40.7881 176.4080 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 T 8.17 4.35 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 1.21 0.00 0.00 3 V 7.44 4.40 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 0.94 0.00 0.00 0.95 0.00 0.00 4 S 9.51 4.50 0.00 4.14 3.97 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 5 D 8.67 4.38 0.00 2.71 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 6 R 8.05 3.89 0.00 1.88 1.94 0.00 3.20 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 7 E 8.29 3.98 0.00 2.31 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 2.34 2.36 0.00 8 L 7.90 4.01 0.00 1.89 1.71 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.35 3.95 0.00 2.16 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 2.34 2.42 0.00 10 E 8.40 4.00 0.00 2.10 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 0.00 2.32 2.37 0.00 11 C 8.15 4.08 0.00 3.12 3.03 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 0.00 0.00 0.00 12 I 7.83 3.57 1.95 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 1.43 0.51 0.70 0.00 0.00 13 R 7.98 3.85 0.00 2.13 2.26 0.00 3.24 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 14 A 8.03 4.06 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 15 L 8.19 4.05 0.00 1.57 1.63 0.87 0.51 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 16 L 7.84 3.71 0.00 0.59 0.13 -0.16 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.60 4.81 0.00 3.12 2.99 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 18 A 7.68 4.26 1.34 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 0.00 0.00 19 R 7.15 4.46 0.00 1.95 1.86 0.00 3.11 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 20 A 8.24 4.25 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 21 D 8.79 4.51 0.00 2.75 2.80 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 22 S 8.42 4.02 0.00 4.06 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 23 A 7.47 4.21 1.34 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 0.00 0.00 24 S 8.04 4.90 0.00 3.90 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 25 I 8.60 4.84 1.86 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.80 0.79 0.00 0.00 26 C 8.59 5.05 0.00 2.94 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 27 P 0.00 4.22 0.00 2.19 2.16 0.00 3.56 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 28 S 7.96 3.86 0.00 2.94 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 29 D 7.80 4.12 0.00 2.81 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 30 V 7.59 3.47 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 1.02 0.00 0.00 0.91 0.00 0.00 31 A 8.10 4.09 1.58 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 32 R 8.08 3.87 0.00 1.68 1.82 0.00 2.71 0.00 0.00 2.89 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.58 0.00 33 A 7.52 4.08 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 34 V 7.80 3.87 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 0.76 0.00 0.00 1.07 0.00 0.00 35 A 8.32 4.79 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 36 P 0.00 4.54 0.00 2.24 2.32 0.00 3.41 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 37 D 8.03 4.60 0.00 2.70 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 38 D 7.99 4.48 0.00 2.49 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.31 4.71 0.00 3.57 3.57 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 40 R 7.11 3.64 0.00 1.36 1.74 0.00 2.74 0.00 0.00 2.89 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 41 P 0.00 4.33 0.00 2.02 2.08 0.00 3.69 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 42 L 7.76 4.30 0.00 1.97 1.68 0.98 0.76 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 *44 E 7.96 4.27 0.00 2.03 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 0.00 2.31 2.29 0.00 45 P 0.00 4.26 0.00 2.28 2.13 0.00 3.70 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 2.13 2.17 0.00 46 V 8.15 3.61 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 1.09 0.00 0.00 1.01 0.00 0.00 47 R 8.01 3.91 0.00 2.05 2.10 0.00 3.38 0.00 0.00 3.55 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 48 E 8.35 3.95 0.00 2.16 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 2.51 2.48 0.00 49 A 8.12 3.95 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 50 A 8.24 4.02 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 51 G 8.16 3.54 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 0.00 0.00 0.00 52 R 8.17 3.96 0.00 2.02 2.01 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 53 L 8.20 4.10 0.00 1.71 1.77 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.30 4.76 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 55 D 8.29 4.34 0.00 2.81 2.77 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 0.00 0.00 0.00 0.00 56 A 7.80 4.30 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 57 G 8.00 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 58 E 8.30 4.22 0.00 2.35 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 0.00 2.39 2.35 0.00 59 V 7.64 5.18 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 0.74 0.00 0.00 0.92 0.00 0.00 60 E 9.34 5.00 0.00 1.85 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 2.23 2.25 0.00 61 V 8.30 4.88 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 1.10 0.00 0.00 0.91 0.00 0.00 62 T 8.81 5.24 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 1.21 0.00 0.00 63 Q 8.85 4.58 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.26 0.00 0.00 0.00 0.00 0.00 2.24 2.52 0.00 64 K 9.98 3.59 0.00 1.89 1.84 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.41 7.81 65 G 8.52 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 66 A 7.59 4.51 1.27 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 67 V 8.22 4.21 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 0.86 0.00 0.00 0.94 0.00 0.00 68 V 8.75 4.61 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 0.77 0.00 0.00 0.98 0.00 0.00 69 D 8.48 4.76 0.00 2.73 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 70 P 0.00 4.38 0.00 2.32 2.16 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 71 R 8.45 4.11 0.00 1.99 2.03 0.00 3.14 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.60 0.00 72 S 7.70 4.51 0.00 3.99 3.90 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 0.00 0.00 0.00 73 A 7.83 4.09 1.27 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 74 R 8.53 4.26 0.00 1.78 1.84 0.00 3.30 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 1.55 1.61 0.00 75 G 8.62 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 76 P 0.00 4.28 0.00 2.05 2.02 0.00 3.63 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 2.04 2.10 0.00 77 I 8.03 4.89 1.94 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 1.34 0.64 0.99 0.00 0.00 78 R 9.13 4.89 0.00 1.64 1.79 0.00 3.19 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 79 I 9.03 5.00 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.66 0.77 0.00 0.00 80 R 8.83 4.79 0.00 1.82 1.93 0.00 2.80 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 81 W 8.59 5.06 0.00 3.20 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 82 T 8.73 4.20 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 1.25 0.00 0.00 83 R 8.37 4.66 0.00 1.79 1.90 0.00 3.29 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.86 0.00 84 T 8.01 3.96 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 1.22 0.00 0.00 85 D 8.74 4.54 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 * Residues marked with a * may have inaccurate shift predictions.