NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3644 8.3193 115.2875 58.1474 63.4048 173.8152 4 S 3.4714 8.3851 121.3983 59.1597 63.5702 173.2444 5 D 4.3232 7.8601 123.6790 52.5178 40.1179 176.0395 6 Y 4.3474 6.6919 119.0191 57.8543 38.9229 175.9609 7 I 4.6076 8.1638 123.6637 58.7583 39.5257 174.1259 8 P 4.5007 0.0000 0.0000 62.1123 31.9474 175.7676 9 D 4.7877 8.5135 121.2789 54.5959 41.8503 175.3697 10 S 4.5386 8.2004 118.9306 56.9324 65.8470 174.3082 11 K 3.9285 8.5792 126.0650 58.4667 32.4011 176.5368 12 F 5.5198 7.5118 115.5832 55.8679 42.9844 174.1709 13 Y 5.1214 9.2252 117.6396 56.3075 42.6392 174.1902 14 K 4.7192 9.4171 124.9475 55.5774 34.1818 175.3329 15 V 4.5964 9.0630 128.2754 61.4167 33.3192 173.9251 16 E 5.1431 9.5729 129.8692 54.4729 32.2025 174.1456 17 A 5.0590 9.0985 129.6447 50.1347 22.0998 174.7712 18 I 4.7901 8.6252 124.2058 59.9859 39.1248 175.3554 19 V 4.9749 8.6138 120.1634 59.1086 36.9013 175.3426 20 R 4.2408 8.1815 120.1119 55.7136 30.3019 176.4131 21 P 4.2672 0.0000 0.0000 65.3498 31.4306 177.3312 22 W 4.5156 8.1050 112.2464 57.5672 28.8063 177.1953 23 R 4.2290 7.5573 118.6616 56.1109 29.5718 177.9032 24 I 3.6975 7.4018 115.3135 64.2469 37.6736 178.1379 25 Q 3.9718 8.0038 119.4896 58.5919 28.5943 178.5423 26 Q 3.9560 7.9668 118.7178 58.8518 28.7300 178.8622 27 V 3.5137 7.7739 119.2446 65.9364 31.5247 177.9321 28 S 4.0542 8.2411 113.1257 61.5519 62.2400 176.3227 29 S 4.0777 8.3136 117.6626 61.5940 62.5696 176.5096 30 A 4.0082 7.9894 123.3735 55.2657 18.0171 179.7280 31 L 3.9379 8.2242 117.7173 57.7456 41.5975 179.4320 32 L 4.0419 8.2623 120.6826 58.1431 41.7947 179.2185 33 K 4.0315 8.0905 117.6742 58.3880 31.9478 178.2210 34 I 4.3816 7.1581 110.7947 60.2499 37.8245 176.0936 35 G 3.8394 8.1206 107.8434 46.1988 0.0000 173.2439 36 I 4.3533 7.8576 120.5471 59.2986 38.3594 175.4195 37 R 4.6013 8.5153 123.2094 55.0329 33.4567 175.4054 38 G 3.8646 8.7619 104.4957 45.6790 0.0000 173.6798 39 V 4.0067 7.7049 119.3871 62.8761 32.2935 175.1915 40 T 4.8157 8.9093 118.3735 59.8808 71.1945 173.6362 41 V 5.1189 8.3048 123.4170 60.1596 34.3516 174.7560 42 S 4.7198 8.8423 116.2298 57.0491 66.8617 172.5344 43 D 5.0292 8.5971 121.5318 54.2114 41.7492 175.9895 44 V 4.7062 8.6300 115.7756 59.5693 36.4828 174.3578 45 R 5.0504 8.3173 116.5038 55.0117 32.4579 174.6860 46 G 4.2300 8.9922 108.8032 44.7410 0.0000 171.8714 47 F 5.0064 8.6875 117.6283 56.0794 40.7403 175.9480 *65 D 4.4140 8.2654 121.1582 54.1068 42.1074 175.6501 66 K 4.3727 7.7262 118.1657 55.1254 33.3277 176.3308 67 F 4.9525 8.3907 120.9116 55.6976 43.2326 173.7229 68 V 4.4962 8.6238 122.1027 60.9445 33.4417 174.6982 69 A 4.4579 8.7143 130.2503 52.0965 19.1513 176.3824 70 K 4.8264 9.0220 120.5877 54.7622 37.6442 175.2588 71 V 4.8297 8.7939 120.9244 61.0755 34.7663 174.0197 72 K 4.8249 9.0837 129.7460 55.7427 33.6849 174.8455 73 M 5.1800 9.2963 127.5864 53.5965 34.7597 174.6660 74 E 5.1935 9.4521 123.0239 54.5357 33.4457 174.9374 75 I 4.7547 8.6668 123.6779 59.4405 41.7818 173.5078 76 V 4.8654 8.5074 129.2109 61.6094 32.9227 174.9359 77 V 4.9844 8.9286 120.0934 59.3686 36.8710 175.1766 78 K 4.4969 9.7038 121.3967 56.0253 32.6145 178.4293 79 K 4.1175 8.6537 122.9663 59.9290 32.0748 178.1379 80 D 4.6837 8.0655 114.6989 54.3776 39.9508 176.9638 81 Q 4.4256 8.0494 119.1287 56.5528 29.2812 177.5550 82 V 3.5610 7.5166 120.4245 66.1912 31.5327 177.7553 83 E 3.9848 8.1930 117.6342 59.5621 29.4090 179.3604 84 S 4.1343 8.0361 114.7604 61.4394 62.8305 176.8039 85 V 3.5717 7.8101 120.9490 65.9557 31.3198 177.9171 86 I 3.6280 7.9141 119.7632 64.6954 37.0376 177.9727 87 N 4.3010 8.2200 116.9539 56.8446 38.3970 177.7061 88 T 3.9021 8.0273 116.9038 66.4855 68.5335 176.9392 89 I 3.6373 7.9717 121.9911 64.4024 37.1567 178.3049 90 I 3.6066 7.6198 120.5434 64.5150 36.7548 177.8186 91 E 3.9957 8.0003 118.5649 59.4954 29.4768 178.8573 92 G 3.6657 8.0586 103.7879 46.5242 0.0000 174.7049 93 A 4.3290 7.6344 121.1439 51.6937 20.4215 177.4297 94 R 4.0751 7.9022 118.9097 56.6719 30.5519 176.1509 95 T 4.4155 9.1789 114.4452 60.9994 70.7046 175.2032 96 G 4.0347 8.7975 108.9971 45.0861 0.0000 173.2272 97 E 4.5763 7.7638 119.1041 54.3628 31.2310 175.6039 98 I 3.7864 8.1115 121.9441 63.1663 36.6846 176.4126 99 G 4.2135 9.0950 112.7214 45.5790 0.0000 175.0666 100 D 4.2899 7.4879 120.4660 55.5558 41.0598 176.4951 101 G 4.2898 7.9209 100.4064 45.0575 0.0000 172.1485 102 K 4.5744 8.0315 115.4680 54.6872 36.9922 175.4372 103 I 4.6330 7.7834 121.4973 59.4706 40.0732 175.0878 104 F 5.0849 9.3595 125.6675 55.6077 42.3082 174.4761 105 V 4.8755 8.5303 121.8835 61.1842 33.5677 174.5322 106 L 5.0939 8.9724 128.1030 51.9021 45.1708 174.4563 107 P 4.0569 0.0000 0.0000 62.8127 32.0528 175.7236 108 V 4.2758 8.2318 122.4709 61.3125 33.4732 176.5927 109 S 4.0106 8.9428 124.7238 61.4439 63.1626 173.7354 110 D 4.6188 7.4211 116.0622 53.0800 43.9003 173.9894 111 V 4.3438 7.8056 122.1167 61.0036 34.8121 174.0566 112 I 4.9798 8.1357 127.2588 59.4009 40.4903 174.7607 113 R 4.0802 8.8330 128.2786 55.6245 30.4581 177.2876 114 V 3.5433 8.6223 126.8585 66.0332 31.9410 176.9560 115 R 4.0549 8.1529 118.6974 58.7652 30.0313 176.8439 116 T 4.3253 7.9393 105.1723 60.6865 70.6025 175.2343 117 G 3.9258 8.4416 109.3607 45.0190 0.0000 173.4702 118 E 4.0749 7.8546 119.5980 56.6141 30.0200 176.4152 119 R 5.0546 7.9893 120.3689 55.3734 35.0224 177.4242 120 G 4.0686 8.4810 107.2858 46.6843 0.0000 176.4712 121 E 4.2828 9.1302 119.2730 59.5799 29.1885 179.0014 122 K 3.9869 8.1556 117.0279 59.0412 32.2494 178.2090 123 A 4.3004 7.7008 118.7063 52.9334 18.9502 178.6430 124 E 3.9562 7.7642 118.1024 58.3249 29.8984 176.3331 125 K 4.1498 7.7787 122.7250 56.4715 32.7124 175.2589 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 3 S 8.32 4.36 0.00 3.81 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 4 S 8.39 3.47 0.00 3.80 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 5 D 7.86 4.32 0.00 2.47 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.69 4.35 0.00 2.90 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.61 1.94 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 1.46 0.90 0.96 0.00 0.00 8 P 0.00 4.50 0.00 2.09 2.02 0.00 3.81 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 2.07 2.12 0.00 9 D 8.51 4.79 0.00 2.68 2.61 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 0.00 0.00 0.00 10 S 8.20 4.54 0.00 3.50 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 11 K 8.58 3.93 0.00 1.68 1.53 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.31 1.07 7.81 12 F 7.51 5.52 0.00 3.15 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 13 Y 9.23 5.12 0.00 2.89 2.76 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 14 K 9.42 4.72 0.00 1.81 1.72 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.41 7.81 15 V 9.06 4.60 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 0.92 0.00 0.00 16 E 9.57 5.14 0.00 2.09 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 2.34 2.29 0.00 17 A 9.10 5.06 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 18 I 8.63 4.79 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.21 0.95 0.00 0.00 19 V 8.61 4.97 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 0.64 0.00 0.00 0.83 0.00 0.00 20 R 8.18 4.24 0.00 1.22 1.47 0.00 2.75 0.00 0.00 3.54 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.52 0.00 21 P 0.00 4.27 0.00 2.18 2.19 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 22 W 8.10 4.52 0.00 3.57 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 23 R 7.56 4.23 0.00 1.59 1.81 0.00 2.71 0.00 0.00 2.25 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 24 I 7.40 3.70 1.85 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 1.87 0.77 0.89 0.00 0.00 25 Q 8.00 3.97 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 26 Q 7.97 3.96 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 27 V 7.77 3.51 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 1.03 0.00 0.00 0.87 0.00 0.00 28 S 8.24 4.05 0.00 3.90 4.01 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 0.00 0.00 0.00 29 S 8.31 4.08 0.00 3.92 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 30 A 7.99 4.01 1.37 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 0.00 0.00 0.00 31 L 8.22 3.94 0.00 1.84 1.72 0.91 0.79 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 32 L 8.26 4.04 0.00 1.84 1.86 0.92 1.03 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 33 K 8.09 4.03 0.00 1.99 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.60 7.81 34 I 7.16 4.38 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 1.48 0.72 0.91 0.00 0.00 35 G 8.12 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 0.00 0.00 0.00 36 I 7.86 4.35 1.99 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 1.32 0.68 0.92 0.00 0.00 37 R 8.52 4.60 0.00 1.75 1.81 0.00 3.22 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 38 G 8.76 3.86 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 0.00 0.00 0.00 39 V 7.70 4.01 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 0.86 0.00 0.00 0.93 0.00 0.00 40 T 8.91 4.82 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 41 V 8.30 5.12 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 0.78 0.00 0.00 0.92 0.00 0.00 42 S 8.84 4.72 0.00 3.85 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 43 D 8.60 5.03 0.00 2.55 2.61 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 0.00 0.00 0.00 44 V 8.63 4.71 2.06 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 0.84 0.00 0.00 0.96 0.00 0.00 45 R 8.32 5.05 0.00 1.62 1.66 0.00 2.21 0.00 0.00 2.73 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.02 0.00 46 G 8.99 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 47 F 8.69 5.01 0.00 3.03 2.94 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 *65 D 8.27 4.41 0.00 2.74 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 66 K 7.73 4.37 0.00 1.62 1.66 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.40 7.81 67 F 8.39 4.95 0.00 2.90 2.82 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 68 V 8.62 4.50 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 1.09 0.00 0.00 1.04 0.00 0.00 69 A 8.71 4.46 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 70 K 9.02 4.83 0.00 1.68 1.66 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.39 7.81 71 V 8.79 4.83 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 1.02 0.00 0.00 0.97 0.00 0.00 72 K 9.08 4.82 0.00 1.88 1.67 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.47 7.81 73 M 9.30 5.18 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 74 E 9.45 5.19 0.00 1.82 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 2.22 0.00 75 I 8.67 4.75 1.88 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 1.12 1.24 0.93 0.00 0.00 76 V 8.51 4.87 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 0.84 0.00 0.00 0.93 0.00 0.00 77 V 8.93 4.98 2.34 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 0.76 0.00 0.00 1.03 0.00 0.00 78 K 9.70 4.50 0.00 2.01 1.69 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.26 1.75 7.81 79 K 8.65 4.12 0.00 2.06 1.91 0.00 2.12 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.66 7.81 80 D 8.07 4.68 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 81 Q 8.05 4.43 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 82 V 7.52 3.56 2.25 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 0.73 0.00 0.00 0.95 0.00 0.00 83 E 8.19 3.98 0.00 2.05 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 2.38 0.00 84 S 8.04 4.13 0.00 4.00 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 85 V 7.81 3.57 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 1.11 0.00 0.00 0.99 0.00 0.00 86 I 7.91 3.63 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.60 0.86 0.00 0.00 87 N 8.22 4.30 0.00 2.96 2.86 0.00 0.00 7.14 6.67 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 88 T 8.03 3.90 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 1.24 0.00 0.00 89 I 7.97 3.64 1.93 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 1.48 0.81 0.84 0.00 0.00 90 I 7.62 3.61 1.98 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 1.34 0.59 0.87 0.00 0.00 91 E 8.00 4.00 0.00 2.12 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 0.00 2.31 2.33 0.00 92 G 8.06 3.67 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 0.00 0.00 0.00 93 A 7.63 4.33 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 94 R 7.90 4.08 0.00 1.76 1.85 0.00 3.19 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 95 T 9.18 4.42 4.39 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 1.08 0.00 0.00 96 G 8.80 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 97 E 7.76 4.58 0.00 2.03 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 0.00 2.31 2.47 0.00 98 I 8.11 3.79 1.90 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 1.37 0.75 0.94 0.00 0.00 99 G 9.09 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 0.00 0.00 0.00 100 D 7.49 4.29 0.00 2.60 2.68 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 0.00 0.00 0.00 0.00 101 G 7.92 4.29 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 0.00 102 K 8.03 4.57 0.00 1.28 1.05 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.38 7.81 103 I 7.78 4.63 1.70 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.43 0.81 0.00 0.00 104 F 9.36 5.08 0.00 2.91 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 0.00 105 V 8.53 4.88 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 0.38 0.00 0.00 0.74 0.00 0.00 106 L 8.97 5.09 0.00 1.68 1.54 1.05 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.06 0.00 1.96 1.95 0.00 3.76 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 2.01 0.00 108 V 8.23 4.28 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 0.96 0.00 0.00 0.97 0.00 0.00 109 S 8.94 4.01 0.00 3.89 3.91 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 0.00 0.00 0.00 0.00 110 D 7.42 4.62 0.00 2.58 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 0.00 111 V 7.81 4.34 1.46 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 0.80 0.00 0.00 0.29 0.00 0.00 112 I 8.14 4.98 1.83 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 1.20 0.61 0.93 0.00 0.00 113 R 8.83 4.08 0.00 1.85 1.78 0.00 3.28 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 114 V 8.62 3.54 2.06 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 0.80 0.00 0.00 0.91 0.00 0.00 115 R 8.15 4.05 0.00 1.80 1.93 0.00 3.24 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 116 T 7.94 4.33 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 1.20 0.00 0.00 117 G 8.44 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 0.00 118 E 7.85 4.07 0.00 2.07 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 2.29 0.00 119 R 7.99 5.05 0.00 1.74 1.78 0.00 3.28 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.78 0.00 120 G 8.48 4.07 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 0.00 0.00 0.00 121 E 9.13 4.28 0.00 2.12 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 2.52 2.50 0.00 122 K 8.16 3.99 0.00 1.74 1.89 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.55 7.81 123 A 7.70 4.30 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 0.00 124 E 7.76 3.96 0.00 2.03 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 0.00 2.37 2.49 0.00 125 K 7.78 4.15 0.00 1.72 1.61 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.26 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.