NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.3774 0.0000 0.0000 62.2174 32.6556 175.7152 5 K 4.0244 8.2494 118.9024 53.0715 32.9013 175.0450 6 P 4.5053 0.0000 0.0000 62.7184 32.7242 175.9622 7 R 4.3224 8.4659 119.0836 56.0071 31.0894 177.8492 8 I 2.9653 8.2891 121.6514 63.7196 37.8650 178.4051 9 L 4.0833 7.7948 119.5282 57.4530 41.6695 177.4992 10 P 4.3046 0.0000 0.0000 65.2083 31.3126 178.3934 11 W 4.2354 8.0141 127.0305 60.3818 30.5357 178.0341 12 L 3.7340 8.1273 118.9178 57.7145 41.0757 179.3040 13 V 3.5882 7.6377 118.1227 66.2974 31.3971 177.7175 14 S 4.0346 7.8829 112.4627 61.7406 62.0912 176.3102 15 Q 3.6344 7.5926 120.3756 58.6291 28.0738 178.6293 16 L 3.5220 7.4910 119.3493 57.6906 41.5452 178.9963 17 D 4.7913 8.1025 117.5394 57.6176 41.1345 178.5920 18 L 4.1389 8.0559 119.4973 55.6260 41.2361 178.6516 19 G 3.9435 7.4171 104.3155 46.6315 0.0000 173.9461 20 Q 4.2536 7.5652 114.4743 55.7486 28.9100 175.8277 21 L 4.6164 7.3830 118.9838 52.3176 44.3814 175.5864 22 E 3.9012 8.9483 122.8198 58.2233 29.6174 177.6922 23 G 3.7449 8.1978 110.6607 45.7641 0.0000 173.3119 24 V 4.3407 7.6500 120.1083 61.8452 31.7719 174.8728 25 A 4.5547 8.3637 128.5736 50.1241 23.0506 175.2719 26 W 4.9719 8.5309 119.8532 56.8735 29.8646 176.7143 27 V 4.5819 9.0774 116.8136 60.6218 31.8505 174.7402 28 N 4.9729 7.8468 116.6327 51.6705 39.9038 175.0436 29 K 3.9895 8.5657 119.6181 58.8362 32.3664 177.4651 30 S 4.2875 7.9791 110.6063 57.6606 63.7957 174.0924 31 R 3.1413 7.1446 117.3936 57.0847 26.9966 175.3187 32 T 5.2477 8.0190 105.6171 61.0395 73.1528 174.2916 33 R 5.4687 9.1125 122.5727 54.4324 33.2544 174.9043 34 F 5.6282 8.8859 117.7444 55.5261 41.9825 173.3871 35 R 5.2825 9.5103 115.8983 54.6240 33.0506 174.5844 36 I 4.9261 8.6957 120.0510 59.0329 41.2306 173.3392 37 P 4.9177 0.0000 0.0000 61.8047 31.9942 176.5211 38 W 5.0516 8.6040 134.3392 56.8956 30.8732 175.9795 39 K 4.3872 7.8666 119.7349 54.4315 32.7591 178.0182 40 H 4.5457 8.8145 121.0671 55.4194 30.5348 176.2993 41 G 3.8479 8.8375 116.1145 48.9724 0.0000 174.2914 42 L 4.2011 8.0407 117.2493 56.1387 41.9921 177.4553 43 R 4.1477 7.8266 119.1072 55.7139 30.4808 176.8705 44 Q 4.0397 8.7382 123.6023 58.4913 29.9126 176.3883 45 D 4.6959 7.8642 119.1695 52.1508 38.4267 175.4990 46 A 5.0691 7.5046 123.9441 52.0478 22.5523 177.0497 47 Q 4.4183 8.4698 117.5056 54.5914 31.6314 175.2296 48 Q 4.2486 8.9744 113.8123 60.8730 29.3019 178.2088 49 E 4.5366 8.0407 115.9212 56.1508 29.9119 176.8432 50 D 4.0022 7.7598 120.7562 57.5597 41.2543 177.3953 *51 F 4.9840 7.6934 118.6345 55.5617 38.8592 182.9716 52 G 4.2045 7.7807 109.3555 50.4071 0.0000 175.3756 53 I 3.7733 6.8737 114.9029 62.7834 37.8997 178.3218 54 F 4.3676 6.9157 119.3552 60.4832 38.7523 177.1711 55 Q 2.5721 8.4990 119.2430 58.7589 28.8787 177.6342 56 A 4.0485 7.9880 121.8896 55.3436 18.3888 179.4603 57 W 3.3835 8.8330 126.7273 60.3439 30.7511 178.1538 58 A 3.6917 7.5809 120.4255 54.8009 17.5149 179.4727 59 E 4.1850 8.4419 118.6878 58.6282 29.3569 179.1225 60 A 3.8919 7.5384 120.3152 54.9675 18.5039 178.9787 61 T 3.8190 6.6939 104.6553 61.3773 69.2630 175.8870 62 G 3.7485 7.3104 109.6972 45.8515 0.0000 174.6705 63 A 3.9934 7.6277 123.6591 54.3591 18.2380 177.7984 64 Y 4.8422 8.5138 118.2901 55.7734 40.3127 174.5096 65 V 3.7770 8.4966 128.0315 59.9143 32.0765 172.8373 66 P 3.8951 0.0000 0.0000 63.6118 31.4789 175.1315 67 G 4.1255 8.9950 111.0128 45.9962 0.0000 174.7708 68 R 3.9380 8.0777 119.2798 58.8612 30.2540 176.1283 69 D 4.9915 7.7438 117.7605 52.9488 43.1184 176.5732 70 K 4.4699 8.5486 123.0515 52.7880 32.6608 176.0254 71 P 3.8482 0.0000 0.0000 62.6246 31.6555 176.4172 72 D 4.2679 6.2980 119.8807 51.3607 41.8305 175.0405 73 L 3.1256 7.1630 123.8191 56.2212 42.0080 176.5555 74 P 4.0686 0.0000 0.0000 66.4629 30.8487 178.4877 75 T 3.8557 7.7101 115.0929 65.8119 68.2692 176.5377 76 W 4.5409 7.8219 120.9017 59.9059 29.1017 178.5141 77 K 2.9687 8.0911 119.4374 58.9408 31.4636 178.5466 78 R 3.8959 8.2852 119.4644 59.9243 30.0234 178.2581 79 N 4.6007 8.7135 116.2638 55.7891 38.7099 177.4650 80 F 4.0402 8.8350 122.8112 61.2224 39.3726 177.1120 81 R 4.1391 8.2836 117.1659 59.8223 30.3847 178.1288 82 S 4.2706 8.5893 115.0861 61.8038 62.5967 176.7325 83 A 4.0179 7.8933 122.3287 54.5400 18.1863 178.8607 84 L 4.0660 7.2838 114.9928 55.4259 41.9908 178.0654 85 N 4.6200 7.6602 119.6871 56.2434 40.2581 176.0211 86 R 4.5773 7.4937 116.2925 53.8787 30.4696 174.5372 87 K 4.5454 7.7917 121.2557 53.7619 33.7840 176.1980 88 E 4.1936 8.6849 123.1148 57.6568 29.9422 177.1337 89 G 4.1842 9.3807 110.8354 44.9515 0.0000 172.6229 90 L 5.2125 7.6486 120.5350 52.9593 44.9791 175.4383 91 R 4.7379 8.6514 121.1648 54.0787 33.2460 174.3502 92 L 3.7952 8.3419 122.9820 54.4302 41.6426 176.3367 93 A 4.0907 8.5178 129.6880 53.7738 19.3510 176.8584 94 E 4.3551 7.2301 111.8530 55.5123 33.1611 174.1807 95 D 4.7030 8.8417 127.7554 52.4972 42.4007 175.5517 96 R 4.7602 8.0420 127.0104 55.8051 31.0955 178.5024 97 S 4.3987 8.7662 115.5574 60.3591 63.0668 174.9563 98 K 4.3098 7.7799 119.0797 57.0600 32.5868 176.7088 99 D 4.4790 7.9932 119.3607 53.7447 41.2451 174.5948 100 P 4.3034 0.0000 0.0000 66.5019 30.9298 177.5184 *101 H 4.4652 7.6172 116.3971 55.9420 28.5832 177.9563 102 D 4.9034 7.4907 125.3558 49.8687 41.2344 174.2028 103 P 5.3322 0.0000 0.0000 62.3498 32.8901 175.4319 104 H 5.4791 8.4340 117.9811 54.8857 32.1236 172.1703 105 K 4.8666 9.2731 117.6872 54.6158 35.9368 175.3267 106 I 4.8508 8.3196 123.7826 59.8693 39.6163 174.4649 107 Y 4.7868 8.1062 123.4294 55.9658 41.8784 174.2262 108 E 5.1898 8.7165 121.5701 54.5125 33.6940 174.2854 109 F 5.1073 8.9753 125.0787 57.2154 40.0186 176.2222 110 V 4.1965 8.7620 116.6346 61.5425 31.7722 175.5744 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 4 P 0.00 4.38 0.00 2.18 2.12 0.00 3.45 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.11 0.00 5 K 8.25 4.02 0.00 1.84 1.77 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.36 7.81 6 P 0.00 4.51 0.00 2.38 2.14 0.00 3.51 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.75 0.00 7 R 8.47 4.32 0.00 2.00 1.95 0.00 3.18 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 8 I 8.29 2.97 0.80 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 0.99 0.06 0.59 0.00 0.00 9 L 7.79 4.08 0.00 1.83 1.94 1.05 1.11 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 10 P 0.00 4.30 0.00 2.26 2.15 0.00 3.90 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 2.19 2.19 0.00 11 W 8.01 4.24 0.00 3.71 3.52 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 12 L 8.13 3.73 0.00 2.05 1.52 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.64 3.59 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 1.19 0.00 0.00 0.87 0.00 0.00 14 S 7.88 4.03 0.00 3.98 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 15 Q 7.59 3.63 0.00 1.64 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 1.22 1.16 0.00 16 L 7.49 3.52 0.00 0.89 0.13 -0.58 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.10 4.79 0.00 2.95 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 18 L 8.06 4.14 0.00 1.73 1.65 0.81 0.92 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 19 G 7.42 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 20 Q 7.57 4.25 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.10 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 21 L 7.38 4.62 0.00 1.53 1.42 0.75 0.87 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 22 E 8.95 3.90 0.00 1.92 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 2.31 2.28 0.00 23 G 8.20 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 24 V 7.65 4.34 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 0.58 0.00 0.00 0.79 0.00 0.00 25 A 8.36 4.55 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 26 W 8.53 4.97 0.00 3.26 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 27 V 9.08 4.58 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 0.80 0.00 0.00 1.02 0.00 0.00 28 N 7.85 4.97 0.00 2.87 2.96 0.00 0.00 5.80 6.98 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 29 K 8.57 3.99 0.00 1.72 1.85 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.45 7.81 30 S 7.98 4.29 0.00 3.96 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 31 R 7.14 3.14 0.00 1.03 0.66 0.00 2.45 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 32 T 8.02 5.25 4.49 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 1.28 0.00 0.00 33 R 9.11 5.47 0.00 2.06 1.97 0.00 3.12 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 34 F 8.89 5.63 0.00 3.01 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 35 R 9.51 5.28 0.00 1.88 2.08 0.00 2.63 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 36 I 8.70 4.93 2.45 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 1.05 0.00 0.00 37 P 0.00 4.92 0.00 1.88 2.01 0.00 3.49 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 2.08 2.20 0.00 38 W 8.60 5.05 0.00 3.58 3.09 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 0.00 0.00 0.00 0.00 39 K 7.87 4.39 0.00 1.82 1.58 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 0.99 7.81 40 H 8.81 4.55 0.00 3.24 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.84 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 42 L 8.04 4.20 0.00 1.79 1.76 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.83 4.15 0.00 2.09 1.89 0.00 3.19 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 1.68 1.57 0.00 44 Q 8.74 4.04 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.51 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 45 D 7.86 4.70 0.00 2.83 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 46 A 7.50 5.07 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 47 Q 8.47 4.42 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 48 Q 8.97 4.25 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.69 6.86 0.00 0.00 0.00 0.00 0.00 2.54 2.70 0.00 49 E 8.04 4.54 0.00 2.09 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 2.34 0.00 50 D 7.76 4.00 0.00 3.08 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 *51 F 7.69 4.98 0.00 2.12 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 0.00 0.00 0.00 52 G 7.78 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 0.00 0.00 0.00 0.00 53 I 6.87 3.77 1.35 0.00 0.00 -0.55 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 0.59 0.92 0.00 0.00 54 F 6.92 4.37 0.00 3.32 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.50 2.57 0.00 1.72 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.06 1.16 0.00 56 A 7.99 4.05 1.71 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 57 W 8.83 3.38 0.00 3.22 3.36 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 58 A 7.58 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.44 4.19 0.00 2.13 1.93 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 2.47 2.30 0.00 60 A 7.54 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 6.69 3.82 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 -0.28 0.00 0.00 62 G 7.31 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 63 A 7.63 3.99 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 64 Y 8.51 4.84 0.00 2.96 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 65 V 8.50 3.78 1.93 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 0.88 0.00 0.00 0.80 0.00 0.00 66 P 0.00 3.90 0.00 1.97 2.01 0.00 3.46 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 67 G 8.99 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 3.94 0.00 1.69 2.00 0.00 3.20 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 69 D 7.74 4.99 0.00 3.05 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 70 K 8.55 4.47 0.00 1.77 1.59 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.33 0.99 7.81 71 P 0.00 3.85 0.00 1.95 2.06 0.00 3.84 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 72 D 6.30 4.27 0.00 2.39 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 0.00 0.00 0.00 0.00 73 L 7.16 3.13 0.00 1.48 1.51 0.60 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.07 0.00 2.13 2.20 0.00 3.31 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.93 0.00 75 T 7.71 3.86 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 W 7.82 4.54 0.00 3.58 3.31 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 77 K 8.09 2.97 0.00 1.15 1.65 0.00 0.61 0.00 0.00 1.08 0.00 0.00 2.77 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.07 0.21 7.81 78 R 8.29 3.90 0.00 1.96 2.07 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 79 N 8.71 4.60 0.00 2.98 3.07 0.00 0.00 6.75 7.68 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 80 F 8.83 4.04 0.00 3.39 3.24 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 0.00 81 R 8.28 4.14 0.00 2.35 2.33 0.00 3.44 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.98 0.00 82 S 8.59 4.27 0.00 4.07 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 83 A 7.89 4.02 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 84 L 7.28 4.07 0.00 1.54 1.54 0.23 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.66 4.62 0.00 2.86 2.97 0.00 0.00 6.76 7.27 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 86 R 7.49 4.58 0.00 1.80 1.65 0.00 3.29 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.19 0.00 87 K 7.79 4.55 0.00 1.75 1.76 0.00 1.63 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.31 7.81 88 E 8.68 4.19 0.00 2.10 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 2.30 2.35 0.00 89 G 9.38 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.65 5.21 0.00 1.57 1.51 0.63 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.65 4.74 0.00 1.81 1.95 0.00 2.81 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 92 L 8.34 3.80 0.00 0.82 1.32 0.23 0.72 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 93 A 8.52 4.09 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 94 E 7.23 4.36 0.00 1.88 1.61 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 0.00 2.06 2.09 0.00 95 D 8.84 4.70 0.00 2.48 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 4.76 0.00 1.63 2.09 0.00 3.10 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.37 0.00 97 S 8.77 4.40 0.00 4.33 3.89 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 98 K 7.78 4.31 0.00 1.76 1.90 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.48 7.81 99 D 7.99 4.48 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.30 0.00 2.05 2.13 0.00 3.68 0.00 0.00 3.82 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 *101 H 7.62 4.47 0.00 2.93 2.85 0.00 7.14 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.49 4.90 0.00 2.63 2.45 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 0.00 0.00 0.00 0.00 103 P 0.00 5.33 0.00 2.45 2.46 0.00 3.94 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.89 0.00 104 H 8.43 5.48 0.00 3.47 3.50 0.00 5.39 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 9.27 4.87 0.00 1.56 1.30 0.00 0.61 0.00 0.00 0.88 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 0.81 7.81 106 I 8.32 4.85 1.73 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.26 0.87 0.00 0.00 107 Y 8.11 4.79 0.00 1.43 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 0.00 0.00 0.00 0.00 108 E 8.72 5.19 0.00 1.95 1.69 0.00 0.00 0.00 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 2.50 0.00 109 F 8.98 5.11 0.00 3.21 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 0.00 110 V 8.76 4.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.01 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.