NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7565 8.3544 109.7364 45.3811 0.0000 172.7361 *2 S 4.2023 8.3858 116.4986 58.5775 63.1801 174.4791 3 V 4.2507 8.1147 116.5765 60.6276 31.9488 176.1374 4 K 3.8223 7.8665 122.4335 56.5523 32.2587 176.4815 5 V 3.7803 8.4480 126.7255 62.7278 32.2204 175.6098 6 S 4.8882 8.3347 121.7174 56.4672 66.9070 175.3494 7 V 3.6686 8.1939 121.8476 65.6511 31.2860 178.0079 8 D 4.3203 8.0168 117.8207 57.5740 41.2117 177.7204 9 D 4.5563 8.0687 118.9722 57.2453 40.7448 178.6549 10 I 3.5210 7.6492 120.4058 64.7008 37.1872 178.2721 11 D 4.4105 8.2199 119.6110 57.0260 40.3026 179.0801 12 G 3.7331 8.1533 106.5084 47.8583 0.0000 175.9463 13 I 3.5077 7.4684 122.3236 64.3214 37.0499 178.5164 14 T 3.7597 7.8650 116.6620 66.5622 68.2943 176.2677 15 E 3.8815 8.1019 121.3607 59.3318 29.6444 179.3453 16 V 3.6765 7.4682 118.9016 64.5797 31.2431 178.3445 17 L 3.7853 7.7292 119.2138 57.6425 41.4935 178.8379 18 N 4.4616 8.0808 115.7361 56.0687 38.8017 177.3608 19 V 3.8015 7.5810 119.6065 65.8764 31.5580 177.3305 20 Y 4.3372 7.5072 116.2072 58.6898 38.3397 176.7702 *22 N 4.5260 8.1747 117.7340 52.7326 40.9830 176.6706 23 A 3.9725 7.8614 119.5175 54.6688 18.3857 179.2892 24 A 3.4606 7.6367 119.4365 55.1630 18.0307 179.5855 25 E 3.9427 7.6238 115.7508 58.6313 30.0033 178.4978 26 S 4.6181 7.8812 111.3542 57.7636 63.6619 173.2011 27 G 4.1995 8.0930 109.0670 44.5784 0.0000 172.5737 28 T 4.4515 8.3374 110.0178 59.9041 70.4534 175.1850 29 G 3.9826 8.9734 110.2555 48.2496 0.0000 175.1503 30 E 3.9641 8.1039 118.7931 59.0635 30.0944 177.7230 31 E 4.2230 8.0767 118.2315 56.7179 29.1536 178.6056 *33 S 5.0622 8.3939 113.3790 58.1369 64.6751 174.7051 34 A 4.2017 7.7748 121.3751 53.5580 18.4086 177.5863 35 A 4.5527 8.1397 118.0418 51.5705 19.7764 176.3402 36 F 5.4543 7.8920 114.5138 55.4684 42.7282 174.7412 37 H 4.4484 9.3293 124.0696 55.7120 30.3547 176.5382 38 K 4.0619 8.4776 124.0388 59.5807 32.3538 177.1963 39 D 4.9556 8.0695 117.7429 53.7827 41.4455 176.1977 40 A 5.3777 8.1327 120.5811 51.9071 19.5762 177.7421 41 T 4.9580 8.4028 107.8650 60.2813 73.1366 172.6721 42 I 5.6943 8.1305 121.7240 58.9835 41.9305 173.7405 43 F 5.2319 8.6380 126.6768 55.4226 43.2386 174.1928 44 G 3.0405 7.9968 107.8355 45.7559 0.0000 171.7083 45 Y 4.8912 8.3292 120.4766 56.5282 39.9164 176.0469 46 V 4.2672 8.8268 123.4145 61.6737 32.7856 176.2242 47 G 4.0894 8.3888 121.7693 46.9546 0.0000 173.3003 48 D 4.6417 8.9675 125.8018 53.2469 40.3901 175.8828 49 K 4.7320 7.6327 119.7070 53.9626 33.7742 181.4131 50 L 4.1631 8.0105 125.3159 52.5459 40.3706 175.9934 51 A 3.8234 7.8385 124.3214 53.6990 19.1770 177.9799 52 F 4.5520 8.0863 114.8301 55.7904 40.8326 175.2948 53 N 4.4027 8.9387 125.4735 51.0388 37.7549 173.9610 54 G 2.9608 6.7675 112.3404 45.8982 0.0000 172.7043 55 P 4.4869 0.0000 0.0000 61.7729 31.8799 177.5111 56 I 3.5581 8.2714 123.2720 62.6295 38.6288 177.4235 57 K 4.1205 8.0625 120.9212 60.0286 31.9331 178.0782 58 D 4.4195 7.8674 119.1835 56.8492 40.6281 178.5696 59 L 4.0601 7.5781 121.2981 58.4239 42.0124 178.6148 60 Y 4.4855 7.3372 116.2279 61.0591 37.9124 177.8034 61 D 4.4562 8.4957 120.0050 57.2819 40.9206 178.6817 62 W 4.2134 8.4077 128.8447 60.7012 30.6175 177.3512 63 H 3.9827 8.8669 117.7302 58.4218 29.0831 176.8539 64 N 4.3927 7.7909 117.4131 56.0747 38.6381 177.2831 65 S 4.1993 7.7097 115.6788 61.6968 63.0824 176.0204 66 N 4.2663 7.7266 118.6320 53.7747 38.7794 175.8394 67 G 3.7997 7.2864 106.9074 43.6573 0.0000 171.0069 68 P 4.2812 0.0000 0.0000 62.5984 31.8178 177.8072 69 A 4.2967 8.3450 129.8816 50.9990 16.9380 178.5203 70 K 3.9237 8.0976 122.6886 56.5662 32.2514 178.0864 71 N 4.8658 7.9008 112.4309 53.3415 38.8336 175.0737 72 V 4.1576 7.6482 119.4210 61.6845 32.7029 175.5953 73 Q 4.6877 8.9037 122.7945 54.3114 31.1766 174.6475 74 S 5.4241 8.7621 119.7377 56.8260 66.1987 173.8984 75 R 4.7194 8.9193 121.7234 54.4171 34.1817 174.6583 76 I 4.5380 8.6179 125.1441 61.7098 37.3306 175.8509 77 T 4.6540 8.9120 115.3151 61.5575 70.8916 173.5758 78 N 5.0033 7.9444 119.9076 52.5107 42.8479 173.6033 79 I 4.5677 8.2633 125.6611 60.3537 40.1751 173.6467 80 D 4.7569 9.0666 128.3842 52.6851 42.4353 174.5833 81 I 4.7196 8.2155 126.9106 59.6166 39.1245 177.0515 82 V 4.3517 8.6912 125.5177 59.9975 32.6796 177.3391 83 G 3.9087 9.1207 120.8377 46.8741 0.0000 171.5260 84 T 4.2060 8.8019 114.4961 61.2942 71.0922 174.9798 85 V 5.3249 7.6329 114.4492 60.2420 36.4565 173.9549 86 A 5.1217 8.6630 122.5524 51.7002 23.2827 174.5404 87 H 5.5382 9.0942 118.1706 54.8008 33.7787 172.2749 88 A 5.5763 8.1658 122.0203 51.2391 23.0163 175.1531 89 R 5.1866 8.6368 121.5972 54.6452 33.2731 174.8434 90 V 5.0129 8.7962 124.4421 61.4357 35.3348 173.5679 91 E 5.2147 9.4999 127.3329 54.7563 31.8515 174.8478 92 A 5.5301 8.9183 124.4380 50.4032 22.9607 174.7878 93 E 4.7171 8.6609 118.8122 55.1503 34.3155 175.4247 94 N 4.0360 9.0521 120.0048 54.4661 37.5952 175.2352 95 W 4.4522 8.2132 127.9552 57.8202 28.9699 175.4833 96 T 3.2959 9.1617 118.3662 62.2870 67.0601 173.2846 97 N 4.3775 7.9851 115.3710 54.7130 39.1682 173.1945 98 F 5.0065 7.6126 115.6350 56.7126 41.6534 174.6771 99 K 4.8887 8.1238 121.5126 54.8447 35.0457 174.8561 100 F 5.6822 8.9155 125.2673 55.8478 43.3819 174.5023 101 S 5.0989 9.2538 116.5282 57.1744 65.7591 172.9331 102 D 5.2135 9.3400 125.7509 52.7489 43.0954 175.7098 103 L 5.1267 8.4344 122.2663 52.9707 45.2842 175.5925 104 F 5.4009 9.3031 122.5277 55.5825 42.9658 174.1754 105 L 5.3260 8.7824 121.3631 53.1370 44.3006 175.8535 106 L 5.3300 9.0456 123.1046 52.9471 45.8376 175.0685 107 L 4.8439 8.9002 121.4793 53.3863 45.5477 175.9742 108 K 3.9418 8.2535 129.1319 54.8960 30.0802 174.9772 109 L 3.9117 8.4235 123.5329 54.8913 41.3341 176.1146 110 D 4.3689 9.1417 128.3627 55.1685 39.1613 174.7838 111 G 3.8170 8.5166 109.2053 45.1104 0.0000 174.3001 112 K 4.6038 7.3068 123.7408 52.8593 34.2496 181.4419 113 W 4.7389 8.8038 125.7970 56.2499 29.9094 175.6318 114 T 4.7106 8.8971 117.4482 60.6746 71.2109 172.5311 115 I 4.2717 8.4147 128.6549 61.3686 37.6522 176.8999 116 V 4.3752 8.8990 120.7907 62.5238 33.5180 175.8241 117 N 5.6308 8.0975 115.8167 51.7768 43.6019 173.7647 118 K 4.8369 8.6618 121.3872 55.7262 36.1103 174.9867 119 V 5.3985 8.9986 120.4889 58.4243 35.6502 174.6430 120 F 5.4478 7.9886 117.1094 55.4174 41.4761 173.0726 121 H 4.9135 9.2140 119.9358 54.3720 32.4136 172.1208 122 L 4.8727 8.5335 128.0186 54.2033 42.8512 175.6157 123 H 4.5024 8.9376 124.4779 55.0948 29.6399 175.6367 124 A 4.1511 8.5654 124.0284 52.5896 18.2413 177.3129 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 0 G 8.35 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 0.00 0.00 0.00 *2 S 8.39 4.20 0.00 3.88 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 3 V 8.11 4.25 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 0.78 0.00 0.00 0.95 0.00 0.00 4 K 7.87 3.82 0.00 1.74 1.76 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.41 7.81 5 V 8.45 3.78 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 0.86 0.00 0.00 0.97 0.00 0.00 6 S 8.33 4.89 0.00 4.08 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 7 V 8.19 3.67 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 1.05 0.00 0.00 0.93 0.00 0.00 8 D 8.02 4.32 0.00 2.86 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 9 D 8.07 4.56 0.00 2.96 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 10 I 7.65 3.52 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 0.85 0.00 0.00 11 D 8.22 4.41 0.00 2.84 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 12 G 8.15 3.73 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 0.00 0.00 0.00 13 I 7.47 3.51 1.59 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 -0.36 0.59 0.00 0.00 14 T 7.86 3.76 4.32 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 1.17 0.00 0.00 15 E 8.10 3.88 0.00 2.20 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 0.00 2.31 2.31 0.00 16 V 7.47 3.68 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 0.85 0.00 0.00 0.82 0.00 0.00 17 L 7.73 3.79 0.00 1.68 1.65 0.75 0.17 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 18 N 8.08 4.46 0.00 2.92 2.87 0.00 0.00 7.00 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 19 V 7.58 3.80 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 1.03 0.00 0.00 0.98 0.00 0.00 20 Y 7.51 4.34 0.00 2.95 2.96 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 *22 N 8.17 4.53 0.00 2.88 2.85 0.00 0.00 6.92 7.81 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 23 A 7.86 3.97 1.41 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 0.00 0.00 24 A 7.64 3.46 0.26 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 25 E 7.62 3.94 0.00 1.78 1.84 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 2.19 2.38 0.00 26 S 7.88 4.62 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 27 G 8.09 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 28 T 8.34 4.45 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 1.22 0.00 0.00 29 G 8.97 3.98 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 0.00 0.00 0.00 30 E 8.10 3.96 0.00 1.93 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 2.28 2.31 0.00 31 E 8.08 4.22 0.00 2.23 1.97 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 2.33 2.25 0.00 *33 S 8.39 5.06 0.00 3.61 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 34 A 7.77 4.20 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 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 36 F 7.89 5.45 0.00 3.37 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 37 H 9.33 4.45 0.00 3.21 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.48 4.06 0.00 1.92 1.93 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.45 7.81 39 D 8.07 4.96 0.00 2.84 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 40 A 8.13 5.38 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.40 4.96 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 42 I 8.13 5.69 1.68 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.83 0.81 0.00 0.00 43 F 8.64 5.23 0.00 2.86 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 44 G 8.00 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 0.00 0.00 0.00 45 Y 8.33 4.89 0.00 2.80 2.96 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 46 V 8.83 4.27 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 0.98 0.00 0.00 1.02 0.00 0.00 47 G 8.39 4.09 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 0.00 0.00 0.00 48 D 8.97 4.64 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.63 4.73 0.00 1.71 1.69 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.22 7.81 50 L 8.01 4.16 0.00 1.11 1.41 0.21 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.84 3.82 1.11 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 0.00 0.00 52 F 8.09 4.55 0.00 3.08 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 53 N 8.94 4.40 0.00 2.67 2.69 0.00 0.00 6.33 7.00 0.00 0.00 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 G 6.77 2.96 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 55 P 0.00 4.49 0.00 2.10 1.95 0.00 3.39 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 56 I 8.27 3.56 1.80 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.20 0.98 0.00 0.00 57 K 8.06 4.12 0.00 1.93 1.81 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.73 1.65 7.81 58 D 7.87 4.42 0.00 2.93 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.58 4.06 0.00 1.44 1.19 0.82 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.34 4.49 0.00 3.12 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 61 D 8.50 4.46 0.00 2.88 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 62 W 8.41 4.21 0.00 3.57 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.87 3.98 0.00 3.78 3.66 0.00 5.82 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 64 N 7.79 4.39 0.00 2.99 2.86 0.00 0.00 7.01 6.87 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 65 S 7.71 4.20 0.00 3.89 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 66 N 7.73 4.27 0.00 1.73 2.02 0.00 0.00 7.36 8.84 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 67 G 7.29 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 68 P 0.00 4.28 0.00 1.98 2.03 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.17 0.00 69 A 8.35 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.10 3.92 0.00 1.79 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.04 7.81 71 N 7.90 4.87 0.00 2.69 2.85 0.00 0.00 6.96 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 72 V 7.65 4.16 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 0.42 0.00 0.00 1.01 0.00 0.00 73 Q 8.90 4.69 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 74 S 8.76 5.42 0.00 3.73 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 75 R 8.92 4.72 0.00 1.73 1.80 0.00 3.31 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 76 I 8.62 4.54 1.87 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 1.40 0.49 0.90 0.00 0.00 77 T 8.91 4.65 4.28 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 0.00 0.00 0.00 1.27 0.00 0.00 78 N 7.94 5.00 0.00 2.86 2.66 0.00 0.00 6.98 7.95 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 79 I 8.26 4.57 1.79 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 0.58 0.72 0.00 0.00 80 D 9.07 4.76 0.00 2.84 2.60 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 0.00 0.00 0.00 0.00 81 I 8.22 4.72 1.85 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.61 0.99 0.00 0.00 82 V 8.69 4.35 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 0.91 0.00 0.00 0.97 0.00 0.00 83 G 9.12 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 0.00 0.00 0.00 84 T 8.80 4.21 4.12 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 1.14 0.00 0.00 85 V 7.63 5.32 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 0.74 0.00 0.00 1.01 0.00 0.00 86 A 8.66 5.12 1.01 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 87 H 9.09 5.54 0.00 3.26 3.14 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.17 5.58 1.17 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 0.00 0.00 89 R 8.64 5.19 0.00 1.95 1.82 0.00 3.19 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 90 V 8.80 5.01 2.58 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 1.29 0.00 0.00 1.14 0.00 0.00 91 E 9.50 5.21 0.00 1.99 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 2.34 2.46 0.00 92 A 8.92 5.53 1.72 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 0.00 0.00 93 E 8.66 4.72 0.00 1.97 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 2.25 2.30 0.00 94 N 9.05 4.04 0.00 2.86 3.11 0.00 0.00 7.02 7.95 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 95 W 8.21 4.45 0.00 3.84 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.16 3.30 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 1.35 0.00 0.00 97 N 7.99 4.38 0.00 2.70 2.63 0.00 0.00 6.98 6.78 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 98 F 7.61 5.01 0.00 3.11 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 0.00 0.00 0.00 99 K 8.12 4.89 0.00 1.76 1.57 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.47 7.81 100 F 8.92 5.68 0.00 3.04 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 0.00 101 S 9.25 5.10 0.00 3.90 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 0.00 102 D 9.34 5.21 0.00 2.86 1.80 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 0.00 103 L 8.43 5.13 0.00 1.44 1.54 0.90 1.20 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 0.00 104 F 9.30 5.40 0.00 2.81 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 0.00 105 L 8.78 5.33 0.00 1.80 1.63 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.05 5.33 0.00 1.76 1.94 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.90 4.84 0.00 1.74 1.46 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.25 3.94 0.00 0.79 0.97 0.00 1.28 0.00 0.00 1.27 0.00 0.00 2.62 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.77 0.21 7.81 109 L 8.42 3.91 0.00 1.78 1.55 0.94 1.20 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 0.00 110 D 9.14 4.37 0.00 2.78 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 0.00 111 G 8.52 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 0.00 0.00 0.00 112 K 7.31 4.60 0.00 1.38 1.67 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 1.25 7.81 113 W 8.80 4.74 0.00 3.14 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 0.00 114 T 8.90 4.71 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 1.30 0.00 0.00 115 I 8.41 4.27 1.23 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.11 1.15 0.00 0.00 116 V 8.90 4.38 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 0.70 0.00 0.00 1.07 0.00 0.00 117 N 8.10 5.63 0.00 2.70 2.72 0.00 0.00 6.58 7.10 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 0.00 118 K 8.66 4.84 0.00 2.01 1.63 0.00 1.49 0.00 0.00 1.47 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.76 1.83 7.81 119 V 9.00 5.40 1.97 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 0.98 0.00 0.00 0.85 0.00 0.00 120 F 7.99 5.45 0.00 2.84 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 0.00 121 H 9.21 4.91 0.00 3.25 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.53 4.87 0.00 1.88 1.61 0.25 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 123 H 8.94 4.50 0.00 3.05 3.24 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.57 4.15 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 * Residues marked with a * may have inaccurate shift predictions.