NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 Q 4.3559 8.1876 119.6207 55.7206 29.8416 172.8054 16 N 5.1129 7.9919 119.3953 50.3749 40.7462 172.1482 17 Y 4.9930 8.6511 118.8974 55.6835 42.1909 176.0763 18 L 4.3572 8.9173 125.4337 55.7183 42.6222 175.7849 19 F 5.0134 8.3695 127.8964 56.6908 42.3024 173.9960 20 G 3.8010 5.6682 108.1722 45.5823 0.0000 172.1185 21 C 4.5859 7.1967 111.9705 57.3271 31.9783 172.1825 22 E 5.0708 8.8292 121.4442 54.6973 31.5622 174.8389 23 L 5.0240 8.8432 124.9356 53.1844 45.2916 175.6761 24 K 4.9671 8.4039 119.1877 54.8354 36.5296 176.6581 25 A 3.7854 8.3053 125.1260 55.8450 18.2886 178.8566 26 D 4.3203 8.5341 114.2790 56.3931 39.9921 176.6289 27 K 4.6420 7.9888 116.8923 55.6486 35.3660 175.5128 28 D 5.2933 7.9925 119.9557 54.3288 42.2573 174.9188 29 Y 4.6080 7.6249 120.3718 58.1544 43.0631 174.3282 30 H 4.6657 8.0038 123.3608 54.0186 31.2016 173.1997 31 F 4.6983 9.2660 128.2990 56.7358 39.4137 174.3980 32 K 4.6925 7.7627 123.8217 55.1989 36.0253 175.9131 33 V 4.0700 7.7961 118.3487 62.0123 34.1169 173.3088 34 D 4.5327 8.3033 127.3354 51.6115 38.7935 175.9318 *39 E 4.2297 7.8961 126.1904 56.6197 31.6619 175.8214 40 H 4.7722 8.4265 118.9832 57.1192 30.4800 175.1185 41 Q 4.5847 9.5535 122.2557 54.6868 33.1167 172.8807 42 L 4.3907 9.2332 128.8526 53.4975 43.9516 174.9864 43 S 4.8073 8.4677 122.7388 56.3840 63.7404 172.8889 44 L 4.0392 8.8090 128.2653 55.7891 42.5282 175.7838 45 R 4.6660 9.4354 119.6533 55.4889 32.7844 175.4702 46 T 5.0584 7.0234 110.3213 60.2676 72.7221 174.4251 47 V 4.9687 8.9780 124.5566 61.2792 33.3392 174.4949 48 S 5.1431 9.2599 122.3241 56.5059 66.6528 173.4886 49 L 3.9386 8.3011 122.3537 54.6872 42.3017 177.3533 50 G 3.9719 9.1127 110.4021 45.3439 0.0000 174.6101 51 A 4.2165 8.8431 122.6471 54.0272 18.4437 178.6397 52 G 3.9159 7.8292 102.4277 45.0800 0.0000 174.0355 53 A 4.6106 7.4712 122.9767 51.4927 19.0817 177.8107 54 K 4.3859 8.3484 120.8131 55.6888 33.2751 176.4826 55 D 4.4654 8.3601 117.1326 54.9158 40.9008 176.1453 56 E 4.3665 7.9745 117.4761 54.5453 30.6179 175.5409 57 L 4.4301 8.1735 122.4742 55.5728 43.0092 175.6113 58 H 5.0218 9.6164 123.0726 54.1366 32.0405 172.6483 59 I 4.9412 8.5286 124.9558 59.5973 39.6177 174.7971 60 V 4.8133 8.8931 128.7970 61.4069 33.2525 174.5863 61 E 5.3790 9.3515 125.1035 54.4784 33.3324 174.4474 62 A 5.2728 9.0735 122.0617 50.1413 22.8757 174.8286 63 E 5.4529 9.4226 120.8691 53.5453 32.7722 174.5730 64 A 4.9605 8.2487 126.7961 50.9621 23.0618 174.8162 65 M 4.5963 8.6341 118.9025 55.7550 32.9013 176.7085 66 N 4.9690 8.0549 118.9713 51.5083 40.0016 173.7920 67 Y 4.4323 7.8901 117.3162 61.3183 38.8624 177.9386 68 E 3.6210 8.1464 118.5326 58.1367 29.7898 178.0476 69 G 4.0376 8.4232 106.8439 45.0920 0.0000 174.1955 70 S 4.5505 7.8321 115.8868 57.2775 64.1164 172.3383 71 P 4.9637 0.0000 0.0000 63.1711 32.1317 175.4828 72 I 4.7547 8.5962 113.8023 59.3966 41.4975 173.7787 73 K 4.9196 8.6531 123.4464 55.1963 33.3499 176.0078 74 V 4.5116 9.0951 124.9778 61.3018 35.2048 174.5482 75 T 4.7877 8.4522 122.9389 62.6513 68.3928 174.6702 76 L 4.4067 8.8526 128.0601 57.5220 42.5459 177.8027 77 A 4.4494 7.5848 116.0147 51.4681 22.3343 175.2488 78 T 5.0240 8.6897 117.6847 61.9542 70.5101 174.0081 79 L 4.9577 9.5221 126.3635 53.1532 46.7555 175.9612 80 K 4.4802 8.8375 121.0751 56.3408 34.9000 175.8446 81 M 3.8479 9.0871 128.8246 58.8557 32.1315 177.2518 82 S 4.5045 8.6965 109.9584 58.8226 63.7533 174.6307 83 V 4.2203 7.3134 118.5315 64.1405 33.8498 175.1423 84 Q 4.5679 8.6534 119.9946 54.6797 30.7097 172.1100 85 P 4.3527 0.0000 0.0000 64.6232 32.6186 176.0756 86 T 5.1507 7.8337 113.4657 61.6370 72.0607 174.0056 87 V 4.3767 8.7167 123.5924 61.2783 35.0749 173.9368 88 S 5.0985 8.6999 122.7414 56.8263 62.7405 173.6953 89 L 4.0553 9.4141 128.7524 54.8326 42.2141 177.7191 90 G 3.7109 8.8066 106.3511 46.6823 0.0000 173.1182 91 G 3.4941 8.3641 102.2842 46.0921 0.0000 174.6886 92 F 4.7405 8.4896 121.3910 57.5266 40.9025 175.0709 93 E 4.9320 9.0880 126.6705 55.6672 30.4959 176.0694 94 I 4.6199 9.1286 125.4269 59.7096 41.5123 174.3517 95 T 4.8853 8.2437 120.5867 61.1316 69.9669 173.0022 96 P 4.6635 0.0000 0.0000 62.3785 32.1192 174.3209 97 P 4.9047 0.0000 0.0000 62.6476 32.8141 175.7478 98 V 4.7847 9.1076 120.2141 60.2639 35.0979 174.0213 99 V 4.8222 8.8084 123.4209 61.1692 33.9973 174.1375 100 L 5.3604 8.6956 126.6040 53.0093 44.7677 175.8381 101 R 4.8662 8.9703 119.2761 54.7488 33.9413 174.3235 102 L 4.6222 8.3847 119.5241 53.0494 41.1324 176.3195 103 K 4.0733 8.7243 126.3799 59.3342 32.6822 176.2723 104 C 4.6798 7.9808 117.9157 58.7642 35.3302 174.1225 105 G 4.0566 9.1984 109.1299 45.9742 0.0000 173.2957 106 S 4.5738 8.3291 110.4257 56.7357 64.7639 175.6271 107 G 3.9604 8.2373 110.3015 45.2503 0.0000 170.9665 108 P 5.4874 0.0000 0.0000 62.5460 32.9641 175.8869 109 V 4.6712 8.2496 120.8152 61.4865 34.9827 173.5555 110 H 5.4260 9.8914 124.1577 54.1429 31.8050 173.4884 111 I 5.0820 8.3718 122.8904 59.6370 40.3883 175.1848 112 S 5.0427 10.0717 121.7067 56.2072 66.5107 173.3545 113 G 4.1351 7.2883 104.1619 45.9970 0.0000 170.9878 114 Q 4.9821 8.7878 120.1941 54.3634 33.6721 174.5641 115 H 5.0671 8.9782 119.7913 54.7483 32.6316 171.8352 116 L 5.1087 8.9314 126.7183 53.3659 43.6209 176.1293 117 V 4.4563 8.0932 122.6079 62.0316 34.5008 175.3124 118 A 4.1834 7.8604 127.9129 51.8202 18.3593 176.5166 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 15 Q 8.19 4.36 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 16 N 7.99 5.11 0.00 2.66 2.62 0.00 0.00 6.10 6.66 0.00 0.00 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 Y 8.65 4.99 0.00 3.06 2.88 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 18 L 8.92 4.36 0.00 1.72 1.64 0.91 0.68 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 19 F 8.37 5.01 0.00 3.08 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 20 G 5.67 3.80 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 0.00 21 C 7.20 4.59 0.00 2.33 1.95 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 22 E 8.83 5.07 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 2.18 2.40 0.00 23 L 8.84 5.02 0.00 1.56 1.51 0.95 0.85 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 24 K 8.40 4.97 0.00 1.73 1.65 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.42 7.81 25 A 8.31 3.79 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 26 D 8.53 4.32 0.00 2.70 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 27 K 7.99 4.64 0.00 2.01 1.96 0.00 1.32 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.43 7.81 28 D 7.99 5.29 0.00 2.69 2.52 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 29 Y 7.62 4.61 0.00 3.09 2.86 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 0.00 0.00 0.00 0.00 30 H 8.00 4.67 0.00 2.86 3.10 0.00 5.74 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.27 4.70 0.00 3.31 3.10 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 32 K 7.76 4.69 0.00 1.59 1.59 0.00 1.76 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.12 1.23 7.81 33 V 7.80 4.07 1.60 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 0.39 0.00 0.00 0.50 0.00 0.00 34 D 8.30 4.53 0.00 2.78 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 *39 E 7.90 4.23 0.00 2.11 1.85 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 2.30 2.36 0.00 40 H 8.43 4.77 0.00 3.06 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 9.55 4.58 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 42 L 9.23 4.39 0.00 1.22 1.41 -0.04 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.47 4.81 0.00 3.92 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 44 L 8.81 4.04 0.00 1.61 1.56 0.68 0.93 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 45 R 9.44 4.67 0.00 1.71 1.72 0.00 3.26 0.00 0.00 3.24 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 46 T 7.02 5.06 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 1.22 0.00 0.00 47 V 8.98 4.97 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 1.06 0.00 0.00 0.96 0.00 0.00 48 S 9.26 5.14 0.00 3.83 3.87 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 49 L 8.30 3.94 0.00 1.51 1.54 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.11 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 0.00 0.00 0.00 51 A 8.84 4.22 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 52 G 7.83 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 0.00 0.00 0.00 53 A 7.47 4.61 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 54 K 8.35 4.39 0.00 2.09 1.76 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.43 7.81 55 D 8.36 4.47 0.00 2.63 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 56 E 7.97 4.37 0.00 2.02 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 2.29 0.00 57 L 8.17 4.43 0.00 1.63 1.55 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 58 H 9.62 5.02 0.00 3.13 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.53 4.94 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 1.13 0.97 0.93 0.00 0.00 60 V 8.89 4.81 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 1.05 0.00 0.00 0.95 0.00 0.00 61 E 9.35 5.38 0.00 2.21 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 0.00 2.18 2.23 0.00 62 A 9.07 5.27 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 63 E 9.42 5.45 0.00 2.00 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 0.00 2.20 2.17 0.00 64 A 8.25 4.96 1.20 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 0.00 0.00 0.00 65 M 8.63 4.60 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.83 0.00 66 N 8.05 4.97 0.00 2.92 2.90 0.00 0.00 6.87 6.85 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 67 Y 7.89 4.43 0.00 2.87 3.05 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 68 E 8.15 3.62 0.00 2.05 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 0.00 2.31 2.34 0.00 69 G 8.42 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 70 S 7.83 4.55 0.00 3.80 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 71 P 0.00 4.96 0.00 2.08 2.06 0.00 3.72 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 1.99 1.97 0.00 72 I 8.60 4.75 1.90 0.00 0.00 0.91 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 0.76 0.99 0.00 0.00 73 K 8.65 4.92 0.00 1.67 1.95 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.69 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.43 7.81 74 V 9.10 4.51 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 1.16 0.00 0.00 1.00 0.00 0.00 75 T 8.45 4.79 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 1.27 0.00 0.00 76 L 8.85 4.41 0.00 1.72 1.80 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.58 4.45 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 78 T 8.69 5.02 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 79 L 9.52 4.96 0.00 1.45 1.62 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.84 4.48 0.00 1.85 1.63 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.48 7.81 81 M 9.09 3.85 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 82 S 8.70 4.50 0.00 3.97 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 0.00 83 V 7.31 4.22 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 0.83 0.00 0.00 0.93 0.00 0.00 84 Q 8.65 4.57 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 85 P 0.00 4.35 0.00 2.11 2.07 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.32 0.00 86 T 7.83 5.15 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 1.28 0.00 0.00 87 V 8.72 4.38 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 0.77 0.00 0.00 0.94 0.00 0.00 88 S 8.70 5.10 0.00 3.91 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 89 L 9.41 4.06 0.00 1.70 1.86 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.81 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 91 G 8.36 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.49 4.74 0.00 3.07 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 93 E 9.09 4.93 0.00 1.97 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 2.29 2.38 0.00 94 I 9.13 4.62 1.67 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.05 0.81 0.00 0.00 95 T 8.24 4.89 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 1.24 0.00 0.00 96 P 0.00 4.66 0.00 1.82 1.73 0.00 3.73 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.51 0.00 97 P 0.00 4.90 0.00 2.05 1.98 0.00 3.71 0.00 0.00 3.67 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 98 V 9.11 4.78 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 0.91 0.00 0.00 0.89 0.00 0.00 99 V 8.81 4.82 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 0.97 0.00 0.00 0.96 0.00 0.00 100 L 8.70 5.36 0.00 1.75 1.57 0.95 0.71 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 0.00 101 R 8.97 4.87 0.00 1.85 2.08 0.00 3.08 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 102 L 8.38 4.62 0.00 1.55 1.70 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.72 4.07 0.00 1.80 2.04 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.42 7.81 104 C 7.98 4.68 0.00 2.98 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 0.00 105 G 9.20 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 0.00 0.00 0.00 106 S 8.33 4.57 0.00 3.98 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 0.00 107 G 8.24 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 0.00 108 P 0.00 5.49 0.00 2.04 2.16 0.00 3.87 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 2.01 1.79 0.00 109 V 8.25 4.67 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 1.10 0.00 0.00 0.88 0.00 0.00 110 H 9.89 5.43 0.00 3.07 3.07 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.37 5.08 1.85 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 1.29 1.09 0.96 0.00 0.00 112 S 10.07 5.04 0.00 3.83 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 0.00 113 G 7.29 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.79 4.98 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 115 H 8.98 5.07 0.00 3.38 3.48 0.00 5.57 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.93 5.11 0.00 1.66 1.54 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.09 4.46 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 0.54 0.00 0.00 1.06 0.00 0.00 118 A 7.86 4.18 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 * Residues marked with a * may have inaccurate shift predictions.