NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7539 8.1633 120.2778 55.2748 34.3049 173.9111 2 K 4.6198 8.8061 119.8841 53.7532 36.8429 173.6519 3 K 4.8302 10.0886 126.6415 55.5431 34.6135 174.9835 4 I 4.8419 8.9355 128.1424 59.5502 40.0969 174.0123 5 E 4.8189 9.2223 128.8707 54.4077 31.7946 174.2422 6 A 4.9705 8.9558 129.5835 50.0244 22.3109 174.6803 7 I 4.8317 8.4429 123.5176 59.4850 39.6081 174.9868 8 I 4.9707 8.7013 120.2656 58.3575 41.8113 175.0194 9 K 4.3098 8.2078 121.4739 55.5426 32.7971 176.4016 10 P 4.2432 0.0000 0.0000 65.9139 31.1091 178.7125 11 F 4.4869 8.1518 110.2908 58.7078 38.1685 176.3660 12 K 4.0940 7.3771 118.5749 56.6816 32.0430 178.0839 13 L 3.8678 7.6680 122.1753 58.3507 41.9445 178.4770 14 D 4.3499 8.0516 117.9945 57.4766 40.8606 178.5084 15 E 3.9378 8.1062 118.4091 59.5153 29.5629 179.5459 16 V 3.5655 7.9914 118.4290 65.6465 31.5940 177.8910 17 K 3.8878 8.3736 119.8333 59.7233 31.9863 178.4891 18 D 4.3452 8.3138 118.9606 57.3045 40.7208 178.6496 19 A 4.1440 8.0766 121.2483 55.1966 18.3408 179.7402 20 L 3.9357 8.0491 117.5302 57.8686 41.7097 179.8760 21 V 3.5798 7.8870 118.2344 65.9727 31.2152 177.8177 22 E 4.0317 8.1391 117.8922 59.1766 29.3842 178.4791 23 I 4.2435 7.4782 110.1650 60.9142 37.9041 176.5022 24 G 3.9253 7.8589 108.2160 45.4711 0.0000 173.9685 25 I 3.8044 7.6869 121.4147 61.1549 37.2773 176.6383 26 G 3.7697 8.7969 115.0827 47.8199 0.0000 173.6250 27 G 4.2588 7.6256 105.9987 44.6595 0.0000 171.6128 28 M 5.0222 8.1668 116.6322 54.1046 34.4815 173.8917 29 T 4.6425 8.8053 116.9746 61.7931 71.5681 173.2283 30 V 4.9552 8.4524 125.6285 61.4045 34.2582 174.6914 31 T 4.7401 8.7451 123.1018 61.7245 72.7359 172.8064 32 E 4.5476 8.7806 125.0395 56.3136 30.5881 176.2542 33 V 4.5751 8.5496 116.7291 59.9972 36.6537 174.0664 34 K 5.0365 8.2302 118.6979 55.8110 36.2525 176.5806 35 G 4.3113 8.9467 108.1570 46.5752 0.0000 172.3409 36 F 4.9243 8.2860 120.3600 57.0665 42.4009 175.6544 *54 D 4.1573 8.8092 118.6326 53.8455 41.4029 174.2743 55 F 5.1870 8.6584 122.6502 56.3665 40.2365 175.0760 56 L 5.0060 8.8629 126.4711 52.0953 44.2520 174.3704 57 P 4.8913 0.0000 0.0000 63.2083 32.2660 175.3749 58 K 4.8416 9.1776 121.3734 54.9023 37.6002 174.9063 59 V 4.8195 8.7408 120.2125 61.1964 34.8133 173.9056 60 K 4.9421 9.0700 129.3255 55.0652 34.2115 174.9044 61 I 4.9531 8.8412 127.7938 59.5124 40.5851 174.2444 62 E 5.2484 9.2791 125.9612 54.7167 32.9563 175.4844 63 V 4.8062 8.6329 115.9954 59.6071 36.6859 174.4297 64 V 4.8849 8.3594 122.0041 61.4121 33.8717 174.8983 65 V 4.6660 8.5783 119.6625 59.2479 36.6844 175.3070 66 R 4.2891 8.4373 120.0967 56.1721 30.8764 177.7386 67 D 4.4040 8.9359 121.1571 57.7437 40.6432 178.9796 68 E 4.2014 8.1570 114.9808 58.1007 30.0915 177.3605 69 D 4.7723 8.0416 119.4110 54.1207 41.5762 178.1062 70 V 3.5603 7.5418 119.8940 66.1779 31.5353 177.5098 71 E 3.9437 8.1690 117.6362 59.4518 29.3692 179.1877 72 K 3.9435 8.0092 119.0102 59.4079 32.2148 178.8963 73 V 3.5561 7.6602 118.0996 65.8447 31.4104 178.1315 74 V 3.5425 8.0681 118.3497 66.1484 31.3496 177.7601 75 E 3.9417 8.5197 118.6187 59.7825 29.3082 179.5750 76 T 3.8550 7.9614 115.6339 66.6370 68.4865 176.8758 77 I 3.6643 7.9112 121.7957 64.2399 37.2665 178.5714 78 V 3.5354 7.9346 119.2343 66.1247 31.1515 178.2589 79 K 4.0000 7.9716 116.7696 59.6778 31.9300 179.0527 80 T 4.1332 7.8721 114.6964 65.5871 68.7008 176.3298 81 A 4.1939 8.1788 121.4338 52.3003 19.5524 177.5698 82 Q 4.2762 7.3298 118.4921 56.4304 29.6421 175.9207 83 T 4.5164 9.5574 111.9684 60.4997 70.3571 175.2115 84 G 3.9588 8.9140 109.5329 45.0429 0.0000 173.3721 85 R 4.5030 7.6203 118.8134 54.2510 31.7954 176.1063 86 V 3.7414 8.0160 119.7291 64.6178 31.7031 176.3693 87 G 4.0445 8.9581 113.8128 45.4489 0.0000 174.8147 88 D 3.9077 7.3101 119.9779 55.6975 40.9790 176.1810 89 G 4.2235 8.0120 102.7607 45.1221 0.0000 171.8825 90 K 4.6862 7.9527 115.8337 54.8895 37.2016 175.5011 91 I 4.6961 8.0129 120.8553 59.5825 40.4264 175.1096 92 F 5.2279 9.0429 125.3905 55.7881 42.0237 174.3974 93 I 4.8663 8.5393 123.4390 59.7556 39.0254 174.9737 94 I 4.7195 8.6828 128.4954 58.3976 40.2942 173.6197 95 P 4.6509 0.0000 0.0000 62.8932 32.1858 175.7207 96 V 4.3952 7.9335 121.9057 61.4219 33.0696 175.4753 97 E 4.1729 9.0633 127.2981 58.5383 30.0018 175.9165 98 D 4.4649 7.2632 114.4747 53.3876 44.0494 174.4825 99 V 4.5818 7.8573 122.2084 61.1354 35.1861 174.0287 100 I 5.0293 8.2702 126.6944 59.4717 40.6843 174.7371 101 R 4.2134 9.1036 128.1255 55.3330 30.1431 177.0684 102 I 3.7423 8.6152 128.2649 64.4790 37.5183 178.3741 103 R 3.9873 8.1555 119.3712 58.6708 29.9657 176.8561 104 T 4.3907 7.4012 101.9775 60.5125 70.4471 175.1476 105 G 3.9425 8.7660 109.9959 45.1588 0.0000 173.6394 106 E 4.1169 7.9204 119.5707 56.4093 30.0716 176.1120 107 R 5.6246 7.4007 118.6878 53.3663 35.2411 176.3178 108 G 3.7513 8.3696 107.7041 46.5308 0.0000 176.2572 109 E 4.0140 8.8244 118.8157 59.5303 29.5622 178.9786 110 Q 3.9464 7.8319 115.9224 57.6183 28.9249 176.6232 111 A 4.4187 8.0011 119.7456 52.5379 19.7802 177.1560 112 I 3.9897 7.1857 120.9988 61.4662 37.1920 175.7203 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 1 M 8.16 4.75 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 2 K 8.81 4.62 0.00 1.62 1.64 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.60 7.81 3 K 10.09 4.83 0.00 1.79 1.82 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.42 7.81 4 I 8.94 4.84 1.86 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 1.12 0.61 0.89 0.00 0.00 5 E 9.22 4.82 0.00 2.08 1.92 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 2.12 2.23 0.00 6 A 8.96 4.97 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 7 I 8.44 4.83 1.71 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 0.93 1.16 0.85 0.00 0.00 8 I 8.70 4.97 1.72 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.16 0.80 0.00 0.00 9 K 8.21 4.31 0.00 1.34 1.53 0.00 1.79 0.00 0.00 2.02 0.00 0.00 3.02 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.54 1.39 7.81 10 P 0.00 4.24 0.00 2.24 2.15 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 11 F 8.15 4.49 0.00 3.17 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 12 K 7.38 4.09 0.00 1.62 1.66 0.00 1.69 0.00 0.00 1.45 0.00 0.00 2.97 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.30 1.35 7.81 13 L 7.67 3.87 0.00 1.73 1.73 0.89 1.27 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 14 D 8.05 4.35 0.00 2.74 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 15 E 8.11 3.94 0.00 2.14 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 2.42 2.40 0.00 16 V 7.99 3.57 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 0.95 0.00 0.00 0.89 0.00 0.00 17 K 8.37 3.89 0.00 1.89 1.96 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 18 D 8.31 4.35 0.00 2.86 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 19 A 8.08 4.14 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 20 L 8.05 3.94 0.00 1.84 1.71 0.89 0.62 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 21 V 7.89 3.58 2.22 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 1.03 0.00 0.00 0.96 0.00 0.00 22 E 8.14 4.03 0.00 2.13 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 2.34 2.57 0.00 23 I 7.48 4.24 1.86 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 1.71 0.60 0.96 0.00 0.00 24 G 7.86 3.93 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 0.00 0.00 0.00 25 I 7.69 3.80 1.90 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 1.22 0.83 0.94 0.00 0.00 26 G 8.80 3.77 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 0.00 0.00 0.00 27 G 7.63 4.26 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 0.00 28 M 8.17 5.02 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 29 T 8.81 4.64 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 1.20 0.00 0.00 30 V 8.45 4.96 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 0.84 0.00 0.00 0.91 0.00 0.00 31 T 8.75 4.74 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 32 E 8.78 4.55 0.00 1.84 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 2.30 2.33 0.00 33 V 8.55 4.58 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 0.78 0.00 0.00 0.92 0.00 0.00 34 K 8.23 5.04 0.00 1.33 1.70 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.55 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.34 1.36 7.81 35 G 8.95 4.31 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 0.00 36 F 8.29 4.92 0.00 3.01 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.81 4.16 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.66 5.19 0.00 3.15 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 56 L 8.86 5.01 0.00 1.68 1.64 0.99 0.96 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 57 P 0.00 4.89 0.00 2.11 2.09 0.00 3.78 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 2.05 0.00 58 K 9.18 4.84 0.00 1.61 1.80 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.52 7.81 59 V 8.74 4.82 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 0.92 0.00 0.00 0.91 0.00 0.00 60 K 9.07 4.94 0.00 1.80 1.61 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.36 7.81 61 I 8.84 4.95 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.63 0.88 0.00 0.00 62 E 9.28 5.25 0.00 1.84 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 2.21 2.23 0.00 63 V 8.63 4.81 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 0.65 0.00 0.00 0.92 0.00 0.00 64 V 8.36 4.88 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 0.87 0.00 0.00 0.93 0.00 0.00 65 V 8.58 4.67 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 0.66 0.00 0.00 0.93 0.00 0.00 66 R 8.44 4.29 0.00 1.87 2.01 0.00 3.28 0.00 0.00 3.48 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 67 D 8.94 4.40 0.00 2.71 2.74 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 0.00 0.00 0.00 0.00 68 E 8.16 4.20 0.00 2.12 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 2.27 2.34 0.00 69 D 8.04 4.77 0.00 2.80 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 70 V 7.54 3.56 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 1.12 0.00 0.00 1.02 0.00 0.00 71 E 8.17 3.94 0.00 2.01 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 2.40 2.32 0.00 72 K 8.01 3.94 0.00 1.86 1.93 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.55 7.81 73 V 7.66 3.56 2.22 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 0.99 0.00 0.00 1.00 0.00 0.00 74 V 8.07 3.54 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 1.05 0.00 0.00 0.98 0.00 0.00 75 E 8.52 3.94 0.00 2.21 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 2.33 2.47 0.00 76 T 7.96 3.86 4.37 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 1.20 0.00 0.00 77 I 7.91 3.66 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 1.37 0.76 0.84 0.00 0.00 78 V 7.93 3.54 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 1.02 0.00 0.00 0.98 0.00 0.00 79 K 7.97 4.00 0.00 1.75 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.68 7.81 80 T 7.87 4.13 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 81 A 8.18 4.19 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 82 Q 7.33 4.28 0.00 2.32 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 83 T 9.56 4.52 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 1.36 0.00 0.00 84 G 8.91 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 85 R 7.62 4.50 0.00 1.93 1.88 0.00 3.32 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 86 V 8.02 3.74 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 0.81 0.00 0.00 0.95 0.00 0.00 87 G 8.96 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 0.00 0.00 0.00 88 D 7.31 3.91 0.00 2.61 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 89 G 8.01 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.95 4.69 0.00 1.33 1.56 0.00 1.82 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.44 7.81 91 I 8.01 4.70 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.49 0.85 0.00 0.00 92 F 9.04 5.23 0.00 2.89 2.74 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 0.00 0.00 0.00 0.00 93 I 8.54 4.87 1.91 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 1.39 0.87 0.93 0.00 0.00 94 I 8.68 4.72 1.90 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 1.29 0.85 0.92 0.00 0.00 95 P 0.00 4.65 0.00 2.07 2.05 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 7.93 4.40 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 0.86 0.00 0.00 0.95 0.00 0.00 97 E 9.06 4.17 0.00 2.00 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 2.30 2.29 0.00 98 D 7.26 4.46 0.00 2.55 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.86 4.58 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 0.96 0.00 0.00 0.93 0.00 0.00 100 I 8.27 5.03 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 0.66 0.91 0.00 0.00 101 R 9.10 4.21 0.00 1.84 1.81 0.00 3.18 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 102 I 8.62 3.74 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 1.30 0.68 0.91 0.00 0.00 103 R 8.16 3.99 0.00 1.76 1.96 0.00 3.17 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.40 4.39 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 0.00 105 G 8.77 3.94 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 0.00 0.00 0.00 106 E 7.92 4.12 0.00 2.08 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 2.33 2.28 0.00 107 R 7.40 5.62 0.00 1.81 2.14 0.00 3.55 0.00 0.00 3.51 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 108 G 8.37 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 0.00 0.00 0.00 109 E 8.82 4.01 0.00 2.08 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 2.40 2.41 0.00 110 Q 7.83 3.95 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 111 A 8.00 4.42 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 0.00 112 I 7.19 3.99 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 1.16 0.76 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.