NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8465 8.2827 119.2150 53.7519 41.1713 176.2828 2 L 4.0170 7.8249 119.2384 57.0244 42.2051 173.7758 3 V 3.3271 8.4564 119.1024 66.1583 32.1732 177.5397 4 Q 4.0193 7.8516 117.2708 58.7297 28.4978 178.1885 5 F 4.4985 8.3253 121.8388 61.4921 39.3206 177.0748 6 S 3.8513 8.1720 112.6904 61.6446 62.1790 175.6627 7 Y 4.3617 7.4041 119.1344 61.2584 37.5084 178.8600 8 L 3.9018 7.8500 119.5764 57.5127 41.6409 179.5488 9 I 3.3995 7.7247 119.9323 64.4905 36.7910 178.5146 10 Q 4.1084 8.1674 118.9663 58.9223 28.4230 178.1949 11 C 4.1968 8.2207 119.2901 59.6928 43.5310 175.5782 12 A 3.6389 7.6477 121.1985 54.4625 18.1912 178.3338 13 N 4.5916 8.1971 113.5415 52.4045 37.4662 175.4872 14 H 3.9706 8.5964 115.7677 56.9116 27.0406 175.7605 15 G 3.9733 9.1074 107.9230 44.6095 0.0000 174.9821 16 K 3.9965 7.7382 121.3681 58.9237 32.1974 176.4247 17 R 4.3448 7.2757 111.4578 53.2879 32.4117 172.7507 18 P 4.2567 0.0000 0.0000 62.7032 32.0875 177.4661 19 T 4.0951 8.5767 117.2438 66.7047 68.3331 176.7257 20 W 4.4361 8.2245 117.9331 59.7275 27.8164 177.7981 21 H 3.5015 7.2142 116.2830 57.8232 27.8926 175.5279 22 Y 4.6588 7.7772 116.8494 58.1655 37.9422 175.9934 23 M 4.5836 8.5938 120.3459 56.0203 33.5226 175.4851 24 D 4.9611 8.0240 117.8844 52.6568 41.7058 172.6091 25 Y 4.8648 8.7248 122.7521 56.3316 42.7223 176.0524 26 G 3.9168 7.9933 115.4531 46.5964 0.0000 172.7062 27 C 4.3800 9.2205 116.0043 58.3734 40.7175 173.9853 28 Y 4.2133 8.7616 114.7567 57.6387 39.5343 175.2901 29 C 4.7860 9.4277 118.6443 57.8221 40.0580 172.4074 30 G 4.0148 8.0719 117.0665 44.6300 0.0000 172.1580 31 A 4.1587 8.4796 124.8184 54.8997 19.2049 178.4665 32 G 3.8897 7.7294 102.6816 46.6583 0.0000 173.1774 33 G 3.7739 7.8086 102.9322 44.5358 0.0000 173.1283 34 S 4.5820 7.6881 112.9911 56.8449 66.0209 174.6695 35 G 3.8323 8.4237 108.5583 45.1116 0.0000 172.4317 36 T 4.5095 8.2171 115.0049 61.4045 69.7108 173.1491 37 P 4.6914 0.0000 0.0000 63.3353 31.7415 177.2410 38 V 3.8022 8.8640 116.3035 63.9900 32.1057 175.0622 39 D 4.6124 7.5192 117.3789 51.4152 41.8265 175.4326 40 E 4.0052 8.7755 116.6821 59.7727 29.2493 178.5912 41 L 3.9322 7.9225 120.8400 57.9119 42.1784 178.3083 42 D 4.4735 8.7487 118.1003 57.4744 41.2098 178.3925 43 R 3.9148 8.2597 118.5998 59.3904 29.9832 178.2896 44 C 4.3940 8.1240 116.0070 60.3435 41.3933 175.5564 45 C 4.5014 8.1116 118.2513 59.6022 40.6913 175.9483 46 K 3.7195 8.1023 121.2639 59.5960 31.6519 178.7439 47 I 3.6786 7.7788 120.0098 64.7929 36.9274 177.8343 48 H 4.0112 8.2612 118.8768 59.2435 29.5319 177.0161 49 D 4.3801 8.3385 120.7201 57.5331 40.7203 178.3087 50 D 4.4313 8.1946 119.3184 57.6318 40.7702 178.2652 51 C 4.4009 8.5403 119.0057 60.1526 41.1669 175.3488 52 Y 4.2438 8.5092 118.5707 61.0542 37.3637 178.0018 53 D 4.4538 8.7534 119.7296 57.1510 41.1082 177.8576 54 E 3.8897 8.3025 118.8333 59.2956 29.9734 178.2764 55 A 3.6605 8.4587 121.0877 54.9668 18.3113 179.9078 56 G 3.6572 8.1980 104.2614 47.8431 0.0000 175.8532 57 K 4.0696 8.0344 119.7680 58.1165 31.8328 178.7100 *59 K 4.3913 7.1980 116.7857 55.4557 33.5048 175.9854 60 G 3.8331 8.0060 106.2921 46.7328 0.0000 174.3094 61 C 4.2231 8.1537 116.8596 57.4616 40.6855 173.6437 *67 F 5.2954 7.9059 117.3191 56.3065 39.6095 173.0000 68 P 4.6034 0.0000 0.0000 62.4408 31.6905 176.2381 69 K 4.1329 8.5342 119.2718 56.5429 32.2401 176.6461 70 M 4.1721 8.6650 124.8454 58.0426 32.8874 176.5752 71 S 4.4775 7.3985 114.1266 57.0681 65.1853 172.5216 72 A 4.1784 8.5875 123.2979 52.2686 18.8476 177.4144 73 Y 4.5698 8.1164 121.4636 56.6310 39.1996 174.5444 74 D 4.9964 9.6764 121.8335 53.9832 42.5120 174.7751 75 Y 5.2972 8.2267 122.2558 56.0236 41.5695 173.1974 76 Y 4.3099 8.4657 120.7621 55.9108 42.4793 173.9092 77 C 4.6254 8.0252 126.4867 55.2747 43.2066 172.8485 78 G 4.6096 8.2792 116.8953 42.9520 0.0000 171.8865 79 E 4.0306 8.9250 119.2066 59.0807 29.9995 178.1708 80 N 4.4170 8.3500 116.1704 55.1506 37.8222 172.8750 81 G 4.1341 7.8881 103.4950 43.2530 0.0000 170.8849 82 P 5.1134 0.0000 0.0000 62.6825 32.5532 174.7207 83 Y 5.1416 8.3257 117.1251 55.9190 41.7420 173.2643 84 C 5.0365 9.0191 118.5111 57.0442 41.0932 173.7101 85 R 4.5527 8.9402 120.4848 55.9754 31.2969 176.1896 86 N 4.6520 8.2602 117.0189 53.3017 39.4268 173.5398 87 I 4.4178 8.1867 120.3510 63.1357 39.6380 177.4179 88 K 4.0463 8.1171 117.8062 58.9984 32.2455 178.0778 89 K 4.3257 7.7993 119.5668 54.9377 31.5250 177.3181 90 K 4.0271 8.3369 124.7371 59.6068 32.2200 179.6878 91 C 4.3162 8.1136 116.2973 59.7947 39.2231 175.9845 92 L 4.0432 7.8857 120.3834 57.6610 41.2548 179.2846 93 R 3.8384 8.0890 118.7998 59.2795 30.0945 178.2301 94 F 3.7623 8.3726 120.5935 61.3680 39.2677 177.3421 95 V 3.6397 7.8971 117.8412 65.9447 31.2757 177.1221 96 C 3.2743 7.9068 118.2989 59.4453 40.7202 175.2260 97 D 4.1910 8.1803 120.7910 57.4815 40.3210 178.2472 98 C 4.1407 7.7251 116.3551 60.1667 41.1773 175.9547 99 D 3.8600 8.2365 120.8984 57.1646 40.3923 179.2469 100 V 3.6338 8.1676 120.1231 64.6301 31.5696 178.3634 101 E 4.0554 8.2362 119.1394 59.1601 29.1789 179.1761 102 A 3.7674 7.8232 120.2542 54.7188 18.3695 179.4166 103 A 3.4226 7.9519 119.4161 55.3041 18.4314 179.8901 104 F 4.0391 8.0148 116.1433 60.7312 38.9245 177.1095 105 C 4.3718 8.2721 118.1520 59.6700 43.2389 175.5890 106 F 4.1854 8.2368 118.2189 60.7462 38.5644 177.3105 107 A 4.1821 7.8414 118.8628 54.7873 18.2359 179.1628 108 K 4.1941 8.1257 115.0431 56.8499 32.8711 177.2441 109 A 4.4047 7.4797 122.7957 50.2550 19.3856 175.5012 110 P 4.2689 0.0000 0.0000 62.9838 31.8234 175.6646 111 Y 4.0536 8.5197 123.4450 56.4394 38.3186 174.3983 112 N 4.7347 8.8821 128.1898 52.2799 38.9897 175.4909 113 N 4.5355 8.9439 124.5384 56.2589 38.9148 177.4303 114 A 4.0815 8.1540 120.1979 54.4864 18.6091 177.6674 115 N 4.4049 8.1307 112.8555 52.6013 38.8584 174.5430 116 W 4.3621 7.8799 129.5012 58.0324 31.9104 175.6016 117 N 3.6492 7.9022 123.6172 54.2964 36.8616 172.7821 118 I 3.9982 6.7744 111.7584 59.8039 39.6899 177.4309 119 D 4.5063 8.1432 119.9419 54.2912 39.5091 176.0465 120 T 3.8435 8.0654 117.3656 63.7941 68.9838 176.4102 121 K 4.0371 8.0160 120.3121 58.7044 32.6416 177.7999 122 K 4.2913 7.7410 119.1863 58.1258 33.4813 177.6211 123 R 4.2134 8.1045 116.7741 57.6790 30.1680 176.6258 124 C 4.9167 7.2203 113.4421 56.0526 41.1188 173.7239 125 Q 4.1830 7.7461 126.5833 56.8382 28.4930 173.4859 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 N 8.28 4.85 0.00 2.95 2.90 0.00 0.00 6.72 5.78 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 2 L 7.82 4.02 0.00 1.96 1.69 1.12 0.61 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 3 V 8.46 3.33 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 0.80 0.00 0.00 0.88 0.00 0.00 4 Q 7.85 4.02 0.00 1.87 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.66 0.00 0.00 0.00 0.00 0.00 2.48 2.24 0.00 5 F 8.33 4.50 0.00 3.25 3.15 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 0.00 0.00 0.00 6 S 8.17 3.85 0.00 3.86 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 7 Y 7.40 4.36 0.00 3.07 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 8 L 7.85 3.90 0.00 1.84 1.59 0.86 0.02 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 9 I 7.72 3.40 1.73 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.06 0.72 0.00 0.00 10 Q 8.17 4.11 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 11 C 8.22 4.20 0.00 3.08 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 12 A 7.65 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.20 4.59 0.00 3.01 3.02 0.00 0.00 7.02 8.27 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 14 H 8.60 3.97 0.00 3.29 3.41 0.00 5.63 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 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 16 K 7.74 4.00 0.00 1.75 2.00 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.36 7.81 17 R 7.28 4.34 0.00 1.09 1.35 0.00 2.21 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.85 0.00 18 P 0.00 4.26 0.00 1.70 2.07 0.00 2.83 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.56 0.00 19 T 8.58 4.10 4.30 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 1.22 0.00 0.00 20 W 8.22 4.44 0.00 3.59 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.21 3.50 0.00 2.22 2.54 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.78 4.66 0.00 2.99 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 23 M 8.59 4.58 0.00 2.24 2.56 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 3.02 0.00 24 D 8.02 4.96 0.00 2.48 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.72 4.86 0.00 3.12 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 26 G 7.99 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 27 C 9.22 4.38 0.00 2.97 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 28 Y 8.76 4.21 0.00 3.25 3.04 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 29 C 9.43 4.79 0.00 3.43 3.41 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 0.00 0.00 0.00 30 G 8.07 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 0.00 0.00 0.00 31 A 8.48 4.16 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 32 G 7.73 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 0.00 0.00 0.00 33 G 7.81 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 34 S 7.69 4.58 0.00 3.92 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 35 G 8.42 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.22 4.51 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 1.25 0.00 0.00 37 P 0.00 4.69 0.00 2.05 2.00 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.74 0.00 38 V 8.86 3.80 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 0.71 0.00 0.00 0.95 0.00 0.00 39 D 7.52 4.61 0.00 2.90 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 40 E 8.78 4.01 0.00 2.22 2.29 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 2.40 2.35 0.00 41 L 7.92 3.93 0.00 1.63 1.67 0.37 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.75 4.47 0.00 3.22 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 43 R 8.26 3.91 0.00 2.07 1.96 0.00 3.20 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.96 0.00 44 C 8.12 4.39 0.00 3.50 3.53 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 45 C 8.11 4.50 0.00 3.27 3.47 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 46 K 8.10 3.72 0.00 0.97 1.63 0.00 1.12 0.00 0.00 1.41 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 0.54 7.81 47 I 7.78 3.68 2.02 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 1.39 0.63 0.90 0.00 0.00 48 H 8.26 4.01 0.00 3.21 3.46 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.34 4.38 0.00 3.01 2.81 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 50 D 8.19 4.43 0.00 2.93 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 51 C 8.54 4.40 0.00 3.11 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 52 Y 8.51 4.24 0.00 3.16 3.11 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 53 D 8.75 4.45 0.00 2.95 2.91 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 54 E 8.30 3.89 0.00 2.12 2.36 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 2.21 2.30 0.00 55 A 8.46 3.66 1.13 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 56 G 8.20 3.66 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 0.00 0.00 0.00 57 K 8.03 4.07 0.00 1.76 1.83 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.71 1.63 7.81 *59 K 7.20 4.39 0.00 1.49 1.60 0.00 1.02 0.00 0.00 1.79 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.15 7.81 60 G 8.01 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 61 C 8.15 4.22 0.00 2.54 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 *67 F 7.91 5.30 0.00 3.03 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 P 0.00 4.60 0.00 2.22 2.09 0.00 3.82 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 2.02 2.02 0.00 69 K 8.53 4.13 0.00 1.85 2.06 0.00 1.98 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.66 7.81 70 M 8.67 4.17 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 71 S 7.40 4.48 0.00 3.97 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 72 A 8.59 4.18 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 73 Y 8.12 4.57 0.00 3.21 3.04 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 74 D 9.68 5.00 0.00 2.86 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 75 Y 8.23 5.30 0.00 3.14 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 76 Y 8.47 4.31 0.00 2.62 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 0.00 0.00 0.00 77 C 8.03 4.63 0.00 2.94 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 78 G 8.28 4.61 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 0.00 0.00 0.00 79 E 8.92 4.03 0.00 1.99 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 2.34 2.42 0.00 80 N 8.35 4.42 0.00 3.06 3.15 0.00 0.00 6.38 6.96 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 81 G 7.89 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 82 P 0.00 5.11 0.00 2.19 2.01 0.00 3.20 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 83 Y 8.33 5.14 0.00 3.07 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 84 C 9.02 5.04 0.00 2.91 3.02 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 0.00 0.00 0.00 0.00 85 R 8.94 4.55 0.00 1.82 1.99 0.00 3.05 0.00 0.00 3.32 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.53 0.00 86 N 8.26 4.65 0.00 2.74 2.79 0.00 0.00 6.77 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 87 I 8.19 4.42 1.89 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 1.44 0.64 0.93 0.00 0.00 88 K 8.12 4.05 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 89 K 7.80 4.33 0.00 1.84 1.80 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.54 7.81 90 K 8.34 4.03 0.00 1.79 1.87 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.54 7.81 91 C 8.11 4.32 0.00 2.93 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 92 L 7.89 4.04 0.00 1.92 2.00 1.00 1.03 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 93 R 8.09 3.84 0.00 2.08 2.10 0.00 3.10 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 94 F 8.37 3.76 0.00 3.18 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 95 V 7.90 3.64 2.16 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 1.20 0.00 0.00 0.61 0.00 0.00 96 C 7.91 3.27 0.00 2.06 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 97 D 8.18 4.19 0.00 2.50 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 98 C 7.73 4.14 0.00 3.23 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 99 D 8.24 3.86 0.00 2.74 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 0.00 100 V 8.17 3.63 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 0.98 0.00 0.00 1.06 0.00 0.00 101 E 8.24 4.06 0.00 2.02 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 0.00 2.51 2.41 0.00 102 A 7.82 3.77 0.94 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 0.00 103 A 7.95 3.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.01 4.04 0.00 3.10 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 0.00 105 C 8.27 4.37 0.00 3.25 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 0.00 106 F 8.24 4.19 0.00 2.74 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 0.00 107 A 7.84 4.18 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 0.00 108 K 8.13 4.19 0.00 1.94 1.93 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.55 7.81 109 A 7.48 4.40 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.25 2.12 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 111 Y 8.52 4.05 0.00 2.90 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 0.00 112 N 8.88 4.73 0.00 2.83 2.73 0.00 0.00 6.89 6.33 0.00 0.00 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 N 8.94 4.54 0.00 2.88 2.95 0.00 0.00 6.95 7.30 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 0.00 114 A 8.15 4.08 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 0.00 115 N 8.13 4.40 0.00 2.21 1.92 0.00 0.00 6.46 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 W 7.88 4.36 0.00 3.41 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 0.00 117 N 7.90 3.65 0.00 1.44 2.29 0.00 0.00 7.22 7.83 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 0.00 118 I 6.77 4.00 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.59 0.74 0.00 0.00 119 D 8.14 4.51 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.07 3.84 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 1.12 0.00 0.00 121 K 8.02 4.04 0.00 1.89 1.95 0.00 1.51 0.00 0.00 1.60 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.46 7.81 122 K 7.74 4.29 0.00 1.72 1.99 0.00 1.96 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.47 7.81 123 R 8.10 4.21 0.00 1.76 1.93 0.00 3.29 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 124 C 7.22 4.92 0.00 2.94 3.08 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 0.00 0.00 0.00 125 Q 7.75 4.18 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.65 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.