NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.3359 8.2393 119.0735 55.7893 31.1475 174.9464 8 R 4.1136 8.2875 114.9091 55.4405 30.4537 173.7750 9 E 4.0020 8.9999 116.8242 56.8843 30.9740 180.3913 10 R 4.1901 8.3780 122.3609 54.6586 30.2378 173.1166 11 L 4.1251 8.3674 121.6142 55.2266 41.8072 177.7679 12 R 4.4279 8.2750 127.1577 54.7298 30.3990 176.8021 13 L 4.1209 8.2424 125.2023 56.9199 41.5745 179.1476 14 R 3.9336 7.9944 115.6258 59.0953 29.6301 178.2352 15 R 4.1648 7.8815 118.4113 58.6743 30.5147 177.4584 16 D 4.5090 8.3186 117.4960 55.4484 41.1444 178.6161 17 F 4.3793 8.3853 122.1315 61.2893 39.4483 176.5116 18 L 3.6613 7.9929 119.4073 58.1547 41.7530 178.7888 19 L 3.9893 7.3228 116.2916 58.0633 41.5815 179.6897 20 I 3.7448 8.0835 119.9268 64.2200 36.7692 178.2524 21 F 3.8473 8.3773 121.2754 61.1061 39.1927 176.9581 22 K 4.1568 8.1946 117.1516 58.3481 32.1487 178.1679 23 E 4.6049 8.2689 116.4138 56.1911 31.1886 176.1662 24 G 3.8828 7.9146 106.0698 45.2978 0.0000 172.5867 25 K 4.4359 8.0061 119.6806 54.7308 35.0767 175.5124 26 S 5.1533 7.9474 113.8120 57.2318 65.6649 172.9297 27 L 5.1700 9.0309 123.5741 53.4674 46.0663 175.3578 28 Q 5.1957 8.4876 118.1151 55.7373 30.2521 173.2578 29 N 5.0052 8.9575 116.7155 51.5563 40.2228 174.5252 30 E 4.1552 8.7845 114.7224 59.0870 29.7543 177.0108 31 Y 4.8766 8.4003 116.1222 57.9568 40.2753 175.2047 32 F 5.5405 8.0596 115.6352 55.6524 43.6986 173.9594 33 V 4.8701 8.9636 121.9002 61.2913 34.1518 174.5940 34 V 4.8835 9.1192 127.3740 61.3238 34.0919 174.0253 35 L 5.4519 9.0672 128.6930 53.3814 44.3196 175.6432 36 F 5.7016 8.4696 116.2634 55.9820 41.7095 173.2183 37 R 5.1362 9.2300 115.9614 54.4109 33.1175 174.5482 38 K 4.3710 8.9018 120.2819 56.7625 32.6897 176.4698 39 N 4.6438 8.8003 119.2653 50.8550 38.8459 173.7990 40 G 3.7409 7.4284 106.5125 46.8870 0.0000 173.8652 *42 D 4.7854 7.7286 115.0188 53.9023 43.7016 176.5209 43 Y 5.0303 7.2026 115.7515 55.7892 41.9656 173.9878 44 S 5.3002 8.9284 115.3808 57.2185 65.7931 173.8712 45 R 4.9292 9.1208 119.9398 54.4596 33.8758 174.3207 46 L 4.8115 8.3157 123.7598 53.1499 44.4909 175.6321 47 G 4.2313 9.0617 111.6636 44.4546 0.0000 171.1957 48 I 4.8715 8.2711 122.7962 59.1170 39.9161 175.1477 49 V 4.0080 8.6295 127.5026 61.1469 33.4399 174.0773 50 V 4.1829 7.9577 128.3202 60.7094 32.8357 175.7938 51 K 4.1790 8.5216 127.3602 56.0226 33.1928 177.9014 52 R 3.8515 8.7109 122.6227 59.4497 30.0514 178.2356 53 K 4.2601 7.9397 113.6112 57.6675 32.9159 177.3167 54 F 4.0274 8.4758 123.3090 60.5985 39.3212 174.6065 55 G 3.8113 6.9586 104.8659 43.9889 0.0000 173.0481 56 K 4.1619 7.7835 118.0167 55.7666 33.8312 177.8598 57 A 3.9619 8.5414 122.6804 56.0463 18.2139 180.1365 58 T 3.7369 7.8291 110.7446 65.0306 67.4559 176.2583 59 R 3.9150 7.8456 120.4308 59.1083 30.2506 178.2689 60 R 3.7766 8.0635 117.9613 59.3999 29.9733 178.7869 61 N 4.2728 8.3547 116.4166 56.0532 38.4562 177.4034 62 K 3.7041 7.9621 121.0842 59.1985 32.1503 178.5453 63 L 3.8842 7.6824 120.5504 58.1197 41.8727 179.1600 64 K 3.9163 8.0104 118.3594 59.2976 31.9592 179.2235 65 R 3.9275 8.1777 119.1327 59.2820 30.0363 178.3655 66 W 4.7127 8.5980 119.0522 60.2847 29.1489 178.7513 67 V 3.6836 8.3746 118.2101 66.0058 30.8353 178.2828 68 R 3.9850 8.4189 118.2161 59.1285 29.8336 178.5140 69 E 4.0107 8.3894 119.1536 59.4628 29.4330 178.9883 70 I 3.7633 7.8229 118.5902 64.2464 36.9131 177.9986 71 F 4.2831 8.4697 121.4726 61.4283 38.7865 177.3484 72 R 3.9237 8.5086 118.0061 59.4294 29.7295 179.1973 73 R 4.0114 8.2557 117.3138 58.4855 30.2749 177.2729 74 N 4.8327 7.4270 113.4086 52.9282 39.1554 176.6629 75 K 3.6859 7.5497 122.4711 59.2671 31.7593 179.3396 76 G 3.6971 8.0315 107.1548 47.3523 0.0000 174.2857 77 V 4.2227 7.6345 116.9749 61.2095 32.4191 175.7499 78 I 4.1314 6.9661 121.2495 59.4732 37.9889 173.9943 79 P 4.3714 0.0000 0.0000 63.1288 31.7812 175.8035 80 K 4.6314 8.6830 120.2936 56.2001 34.0947 176.4019 81 G 3.7868 8.5959 107.3409 47.1561 0.0000 172.8549 82 F 5.3482 8.2994 116.5953 55.3895 43.4595 174.0391 83 D 5.2823 9.4156 122.8755 53.2881 42.7221 175.5572 84 I 5.1666 8.8559 124.0076 59.5231 40.9258 174.4007 85 V 4.7696 9.1645 127.7080 61.2028 33.6841 174.2548 86 V 4.6862 8.6486 128.5520 61.4093 33.6773 174.4788 87 I 5.2062 9.1164 128.4320 57.5622 39.8693 173.1715 88 P 4.6597 0.0000 0.0000 62.9211 32.2935 176.4267 89 R 4.6183 8.7884 121.9533 54.8323 32.1153 177.7775 90 K 4.0154 8.7016 119.8936 60.1043 32.4615 178.9445 91 K 4.1395 8.1553 121.7037 58.7851 31.8255 178.2910 92 L 3.7155 7.8058 119.1942 57.9448 41.7221 178.5291 93 S 3.1295 7.9259 112.7431 61.0843 62.3776 175.8903 94 E 3.9966 8.3715 121.4549 58.5804 29.1997 178.0961 95 E 4.6283 7.9718 116.3418 56.1556 29.9330 177.5424 96 F 4.1262 7.7429 122.5326 61.3022 39.1676 176.6014 97 E 4.0986 8.2233 116.2710 57.9099 29.5145 177.3013 98 R 4.5115 7.8958 113.8884 55.4272 29.9719 175.4963 99 V 4.2970 7.2911 118.3277 61.3698 33.3757 175.3178 100 D 4.9893 8.2225 126.4327 51.4630 43.1458 176.8629 101 F 2.6181 8.0006 119.7793 61.0555 38.8870 177.0407 102 W 4.2444 8.2123 117.6581 59.7491 28.7873 178.5549 103 T 4.0332 8.3201 116.1435 66.3412 67.8862 177.0325 104 V 3.8213 7.7651 120.3141 65.9533 31.4698 177.9783 105 R 3.5650 7.8943 118.6483 59.2699 29.9020 177.7947 106 E 3.9272 8.3141 119.1760 59.5975 29.1704 179.1088 107 K 4.1079 8.3770 118.3404 59.2223 32.0536 179.3004 108 L 3.6045 8.3170 120.8767 58.2079 42.0484 179.1302 109 L 3.9573 8.2492 119.1327 57.4439 41.2131 178.9813 110 N 4.2707 8.0227 116.1908 56.5256 38.8153 176.8788 111 L 4.1729 7.4793 119.5824 57.5315 42.0000 179.2698 112 L 3.8756 7.9980 119.0404 57.7156 41.3843 179.3074 113 K 4.1753 7.9908 115.9735 57.7995 32.1811 178.3559 114 R 4.3269 7.4428 117.3132 54.9645 30.7066 176.4945 115 I 3.0470 6.6477 121.0977 61.0116 37.4052 175.4097 116 E 4.7085 8.0361 123.4528 54.6743 33.5834 175.4512 117 G 4.0267 8.9716 110.1024 46.0643 0.0000 173.5009 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 7 R 8.24 4.34 0.00 1.85 1.79 0.00 3.23 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 8 R 8.29 4.11 0.00 2.33 1.94 0.00 3.13 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.26 0.00 9 E 9.00 4.00 0.00 2.01 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 1.89 0.00 10 R 8.38 4.19 0.00 1.82 1.74 0.00 3.23 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 11 L 8.37 4.13 0.00 1.60 1.75 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.28 4.43 0.00 1.87 1.88 0.00 3.34 0.00 0.00 3.34 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 13 L 8.24 4.12 0.00 1.64 1.66 0.78 0.85 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 14 R 7.99 3.93 0.00 2.23 2.08 0.00 3.14 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.26 0.00 15 R 7.88 4.16 0.00 1.91 1.97 0.00 3.18 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 16 D 8.32 4.51 0.00 2.95 2.75 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 17 F 8.39 4.38 0.00 3.05 3.12 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 0.00 0.00 0.00 18 L 7.99 3.66 0.00 1.70 1.63 0.78 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.32 3.99 0.00 1.95 1.71 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.08 3.74 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.76 0.99 0.00 0.00 21 F 8.38 3.85 0.00 2.57 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 22 K 8.19 4.16 0.00 1.79 1.85 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.73 7.81 23 E 8.27 4.60 0.00 1.96 1.94 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 2.23 2.36 0.00 24 G 7.91 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 0.00 0.00 0.00 25 K 8.01 4.44 0.00 0.79 1.30 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.20 1.15 7.81 26 S 7.95 5.15 0.00 3.69 3.58 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 27 L 9.03 5.17 0.00 1.71 1.54 0.80 0.68 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 28 Q 8.49 5.20 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 29 N 8.96 5.01 0.00 2.90 2.97 0.00 0.00 7.03 7.28 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 30 E 8.78 4.16 0.00 1.85 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 1.79 1.47 0.00 31 Y 8.40 4.88 0.00 2.87 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 0.00 0.00 0.00 0.00 32 F 8.06 5.54 0.00 2.99 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.96 4.87 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 1.12 0.00 0.00 1.03 0.00 0.00 34 V 9.12 4.88 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 1.01 0.00 0.00 0.94 0.00 0.00 35 L 9.07 5.45 0.00 1.76 1.57 1.17 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.47 5.70 0.00 3.15 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 37 R 9.23 5.14 0.00 1.90 2.04 0.00 2.79 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 38 K 8.90 4.37 0.00 1.62 1.63 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.62 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.02 1.50 7.81 39 N 8.80 4.64 0.00 2.72 3.04 0.00 0.00 6.89 6.70 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 40 G 7.43 3.74 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 0.00 0.00 0.00 *42 D 7.73 4.79 0.00 2.77 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 7.20 5.03 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.93 5.30 0.00 4.03 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 0.00 45 R 9.12 4.93 0.00 1.98 1.83 0.00 3.25 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 46 L 8.32 4.81 0.00 0.27 0.67 0.64 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 47 G 9.06 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 0.00 0.00 0.00 0.00 48 I 8.27 4.87 1.78 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 1.14 0.62 0.88 0.00 0.00 49 V 8.63 4.01 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 0.53 0.00 0.00 0.16 0.00 0.00 50 V 7.96 4.18 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.67 0.00 0.00 51 K 8.52 4.18 0.00 1.91 1.73 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.44 7.81 52 R 8.71 3.85 0.00 1.83 1.93 0.00 3.16 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 53 K 7.94 4.26 0.00 1.90 1.92 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.45 7.81 54 F 8.48 4.03 0.00 2.93 3.07 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 55 G 6.96 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 0.00 0.00 0.00 56 K 7.78 4.16 0.00 1.79 1.73 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.48 7.81 57 A 8.54 3.96 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 58 T 7.83 3.74 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 1.20 0.00 0.00 59 R 7.85 3.92 0.00 1.89 2.02 0.00 3.06 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 60 R 8.06 3.78 0.00 1.96 1.85 0.00 3.15 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.99 0.00 61 N 8.35 4.27 0.00 2.86 2.81 0.00 0.00 6.67 8.95 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 62 K 7.96 3.70 0.00 1.67 1.75 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.23 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.35 0.86 7.81 63 L 7.68 3.88 0.00 1.41 1.45 1.16 -0.19 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 64 K 8.01 3.92 0.00 1.93 1.80 0.00 1.65 0.00 0.00 1.46 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.55 7.81 65 R 8.18 3.93 0.00 1.97 2.14 0.00 3.16 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 66 W 8.60 4.71 0.00 3.69 3.30 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 67 V 8.37 3.68 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 0.97 0.00 0.00 1.07 0.00 0.00 68 R 8.42 3.99 0.00 2.20 2.03 0.00 3.21 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 69 E 8.39 4.01 0.00 2.19 2.41 0.00 0.00 0.00 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 2.57 0.00 70 I 7.82 3.76 1.99 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.86 0.00 0.00 71 F 8.47 4.28 0.00 3.04 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 72 R 8.51 3.92 0.00 1.94 2.00 0.00 3.35 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.97 0.00 73 R 8.26 4.01 0.00 2.01 2.00 0.00 3.27 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 74 N 7.43 4.83 0.00 2.92 2.71 0.00 0.00 6.90 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 75 K 7.55 3.69 0.00 1.76 1.69 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.34 7.81 76 G 8.03 3.70 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 0.00 0.00 0.00 77 V 7.63 4.22 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 0.76 0.00 0.00 0.91 0.00 0.00 78 I 6.97 4.13 1.66 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.54 0.91 0.00 0.00 79 P 0.00 4.37 0.00 1.94 2.06 0.00 3.61 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 1.92 2.05 0.00 80 K 8.68 4.63 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.28 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.53 7.81 81 G 8.60 3.79 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 0.00 0.00 0.00 82 F 8.30 5.35 0.00 3.00 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 83 D 9.42 5.28 0.00 2.64 2.66 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 0.00 0.00 0.00 0.00 84 I 8.86 5.17 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.98 0.93 0.00 0.00 85 V 9.16 4.77 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 1.06 0.00 0.00 1.08 0.00 0.00 86 V 8.65 4.69 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 0.85 0.00 0.00 0.80 0.00 0.00 87 I 9.12 5.21 2.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.59 1.05 0.00 0.00 88 P 0.00 4.66 0.00 1.81 1.80 0.00 3.94 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.48 0.00 89 R 8.79 4.62 0.00 1.83 1.96 0.00 3.21 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 90 K 8.70 4.02 0.00 1.99 2.11 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.52 7.81 91 K 8.16 4.14 0.00 1.97 2.23 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.68 7.81 92 L 7.81 3.72 0.00 1.57 1.91 0.40 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.93 3.13 0.00 3.33 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 94 E 8.37 4.00 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 2.30 2.40 0.00 95 E 7.97 4.63 0.00 2.01 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 2.51 2.61 0.00 96 F 7.74 4.13 0.00 3.03 2.92 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 97 E 8.22 4.10 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 2.33 2.34 0.00 98 R 7.90 4.51 0.00 1.91 1.99 0.00 3.05 0.00 0.00 3.47 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 99 V 7.29 4.30 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 0.81 0.00 0.00 0.82 0.00 0.00 100 D 8.22 4.99 0.00 3.09 2.90 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 0.00 101 F 8.00 2.62 0.00 1.51 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 0.00 0.00 0.00 102 W 8.21 4.24 0.00 3.45 3.06 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 0.00 103 T 8.32 4.03 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 104 V 7.77 3.82 2.18 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 1.45 0.00 0.00 1.28 0.00 0.00 105 R 7.89 3.56 0.00 0.99 1.76 0.00 3.20 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 106 E 8.31 3.93 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 107 K 8.38 4.11 0.00 2.19 2.15 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.88 1.94 7.81 108 L 8.32 3.60 0.00 1.33 1.52 0.36 0.57 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 0.00 109 L 8.25 3.96 0.00 1.76 1.67 0.90 0.52 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 0.00 110 N 8.02 4.27 0.00 2.90 2.91 0.00 0.00 7.05 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 0.00 111 L 7.48 4.17 0.00 1.62 1.69 1.10 0.64 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 0.00 112 L 8.00 3.88 0.00 1.62 1.67 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.99 4.18 0.00 1.74 1.81 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.51 7.81 114 R 7.44 4.33 0.00 1.87 1.90 0.00 3.27 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 115 I 6.65 3.05 1.39 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.20 -0.66 0.00 0.00 116 E 8.04 4.71 0.00 1.94 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 2.15 2.43 0.00 117 G 8.97 4.03 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.