NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.5748 8.2876 120.2362 56.3066 31.2132 174.5398 5 I 4.8357 8.0217 116.0762 57.7022 40.5147 171.2060 6 V 3.6066 9.0391 122.6722 66.2341 32.3318 179.4040 7 K 3.8062 8.2513 119.5672 59.6478 31.8968 177.1862 8 E 4.1154 8.0558 115.5059 57.5737 29.8772 176.0715 9 Y 4.5544 7.6681 116.7531 56.9225 38.9510 175.8929 *11 K 4.0899 7.8085 120.2621 56.2736 34.0863 175.2766 12 T 4.2356 8.6462 124.5650 64.0900 69.2480 173.6967 13 Q 4.3764 8.9999 123.1974 56.0728 32.8170 174.4574 14 V 4.3306 8.7302 119.2508 61.1148 33.0767 176.0661 15 I 3.9998 7.5148 120.4399 60.9210 38.5182 174.3504 16 S 4.7419 7.9909 119.1774 57.8449 65.9946 172.9619 17 V 4.7008 8.3980 111.5419 59.8858 36.1468 175.7507 18 T 5.0103 8.6426 113.0299 60.2637 70.1771 175.7833 19 K 4.0079 8.7866 121.3234 59.1215 32.7381 177.8154 20 D 4.6740 7.8698 116.7749 52.7260 40.2996 176.4635 21 A 4.1155 7.6646 124.3784 52.5296 19.1959 177.0650 22 K 4.7035 8.4227 120.5505 55.4129 34.3960 177.9258 23 L 4.1220 8.7135 126.1078 58.6782 42.0065 179.4570 24 N 4.3930 8.3721 116.7920 56.1526 37.1614 176.9013 25 D 4.3636 8.0539 120.6826 56.9723 40.7839 178.4241 26 I 3.7002 8.2076 119.4038 64.5324 37.2808 177.7407 27 A 4.1541 8.2152 120.3512 55.3103 18.4428 179.2830 28 K 4.0947 8.0828 117.9140 59.4262 32.2361 179.7083 29 V 3.6370 7.6941 114.9759 64.0737 30.7776 177.5266 *31 T 4.2886 7.8335 115.3278 63.2963 70.2882 176.2645 32 E 4.0512 8.2408 119.4235 59.2766 29.5029 178.4135 33 K 4.0244 8.5010 116.2664 56.5815 32.9192 176.0018 34 N 4.1633 7.5462 115.7405 54.7159 37.2747 173.1759 35 I 4.6811 7.3684 110.0963 59.2735 41.2911 175.8575 36 G 4.1753 8.5282 107.5905 46.6367 0.0000 172.9758 37 S 5.3685 7.8190 113.6966 57.1612 66.5348 173.7504 38 V 4.4981 8.6486 119.3228 60.6870 35.0325 172.9945 39 I 4.4119 8.3800 124.4923 61.0705 38.8373 174.6462 40 V 4.6496 8.7220 127.1944 61.4996 33.1642 174.8438 41 V 4.7887 8.6478 121.1591 58.9765 34.7525 175.7899 42 D 4.7039 8.9352 124.4339 53.9460 40.3699 176.5264 43 G 4.0781 7.6626 114.3560 44.9715 0.0000 174.0359 44 N 4.5367 7.7421 119.6307 53.8229 40.2369 175.4434 45 K 4.7210 7.4543 115.0031 53.8360 36.0076 173.4271 46 P 4.7476 0.0000 0.0000 62.9513 31.8873 176.8787 47 V 4.4082 8.7440 113.5361 60.6875 34.5092 175.0479 48 G 4.1670 7.3082 106.3045 46.0473 0.0000 172.0941 49 I 5.2118 8.5405 119.5139 59.5557 41.3484 175.6822 50 I 4.8361 8.9210 125.6941 59.9178 40.8999 174.8287 51 T 4.9373 8.8235 116.5742 59.4815 71.9858 175.1741 52 E 3.9838 8.8231 121.0783 59.6390 29.2817 179.7849 53 R 3.9307 7.9868 118.1917 59.5790 30.2122 178.1468 54 D 4.5780 8.0930 118.2433 57.4119 40.8624 178.8979 55 I 3.6762 7.7162 120.6754 64.1669 37.1302 178.6566 56 V 3.5658 7.7720 119.1052 65.8259 31.4438 178.0389 57 K 4.0051 8.5883 119.6811 59.2841 31.9865 178.6344 58 A 3.9424 8.1008 121.1067 55.2990 18.2836 179.7529 59 I 3.8611 7.5725 117.9975 64.3944 36.9616 178.9177 60 G 3.7205 8.4252 105.6713 46.7727 0.0000 174.7586 61 K 4.4382 7.4904 118.4333 55.8415 32.6898 177.1159 62 G 4.0571 7.7921 107.4659 44.9648 0.0000 174.5871 63 K 4.1351 7.6700 119.2206 56.1368 32.7987 176.8130 64 S 4.5852 7.9124 115.4967 56.9226 64.6003 175.2366 65 L 4.0951 8.2408 119.5008 56.7011 41.3897 178.5220 66 E 4.3728 7.7179 116.6382 56.3861 30.3386 176.6281 67 T 3.9109 7.5293 116.8008 63.9887 69.1761 173.7654 68 K 4.6579 8.6749 124.6636 55.9510 33.2785 177.5152 69 A 3.4115 9.0066 126.8656 55.3356 18.2188 180.1534 70 E 3.8812 8.1383 112.0470 58.8956 29.4575 177.7174 71 E 4.3805 8.1554 117.8851 56.9997 30.4824 176.4018 72 F 4.7828 7.7297 113.8334 55.6244 38.0200 175.8501 *74 T 4.1325 7.5846 116.5071 63.6580 70.3189 175.1312 75 A 4.5437 8.6312 129.0206 52.1998 19.1297 176.5108 76 S 4.4633 8.6941 113.3964 57.9930 65.6173 175.8207 77 L 4.4534 8.6765 125.5815 54.8523 43.0706 176.8741 78 I 3.5795 7.2733 119.0382 60.9911 38.3111 174.3072 79 T 4.8718 7.8533 115.5553 60.3440 72.5219 172.1246 80 I 4.7023 8.1786 119.5401 59.4276 42.1743 174.1677 81 R 4.8686 8.5128 125.8021 55.5353 31.1145 177.7051 82 E 4.0875 8.8200 120.3131 58.7426 29.8350 178.4639 83 D 4.4802 7.9429 117.6990 54.6861 40.4665 177.0075 84 S 4.2999 7.7655 117.0151 57.5858 63.5516 172.0764 85 P 4.8515 0.0000 0.0000 62.3808 32.0360 177.4235 86 I 3.6865 8.5506 115.3525 64.5699 37.3633 178.6530 87 T 3.9873 7.9920 110.7999 64.2314 68.3491 176.5181 88 G 3.6149 8.3601 109.2448 47.4262 0.0000 175.7798 89 A 4.0242 7.7526 121.8993 54.8425 18.6222 178.7895 90 L 4.0117 7.8734 117.6327 58.3552 42.3257 178.7569 91 A 4.2195 7.8832 120.0424 55.0198 18.2462 180.1950 92 L 4.5240 7.5922 116.1766 55.1402 41.5809 179.4765 *94 R 4.2258 7.9503 119.9157 56.6042 31.6939 177.4679 95 Q 3.8561 8.3131 115.3601 58.4911 28.6627 177.4256 96 F 4.4247 8.6111 113.8926 56.3681 39.7968 175.3587 97 N 4.2486 7.7613 117.7710 54.1114 36.1112 174.0962 98 I 4.7338 7.1848 108.5930 59.4122 41.3544 175.9019 99 R 4.3781 8.5302 119.9348 57.3103 31.1966 175.5212 100 H 5.4102 8.0128 114.9052 53.9377 33.2789 172.7180 101 L 4.8909 9.0542 121.1316 52.1397 45.5062 174.3124 102 P 4.6996 0.0000 0.0000 62.7626 33.0482 175.1078 103 V 4.7947 9.0735 123.3753 61.4239 33.8507 174.9178 104 V 5.3679 8.8700 120.0209 58.8084 36.3292 173.8027 105 D 5.3542 8.1421 120.8036 51.9284 42.0380 176.8181 106 D 4.5219 8.8740 117.2530 56.4951 40.8065 177.4517 107 K 4.2544 8.5066 117.9469 56.0349 33.1709 177.3765 108 G 4.0802 8.1085 105.1391 45.0701 0.0000 173.9259 109 N 4.3839 8.2016 118.1322 52.7413 39.1725 174.0066 110 L 4.3311 8.4427 124.6760 55.2652 42.7419 175.9457 111 K 4.3470 9.2337 126.0382 58.1831 34.6117 175.9947 112 G 3.9549 7.4016 104.5800 46.9107 0.0000 171.4307 113 I 5.1210 8.1549 120.0186 59.6163 41.4235 175.4774 114 I 4.9422 8.8515 129.1243 59.2139 41.3899 174.1093 115 S 5.1352 9.3034 122.4130 55.9079 66.3100 174.9049 116 I 3.6758 8.2720 120.7960 64.6604 36.6184 178.9137 117 R 3.9153 7.5473 118.3702 59.4382 29.9059 178.7927 118 D 4.4057 7.9879 118.5055 57.2976 40.8056 178.8510 119 I 3.5184 7.5593 119.9914 64.6817 37.1754 178.4788 120 T 3.8315 8.1809 110.8396 64.5852 68.4027 176.3385 121 R 3.7834 8.0242 121.3552 59.3644 29.9892 178.0999 122 A 3.4046 7.7196 119.5072 55.1494 18.1224 179.4209 123 I 3.7227 7.3520 117.1100 64.6295 37.2794 177.8617 124 D 4.5436 7.9631 118.6650 57.0961 42.0702 178.4692 125 D 4.7675 7.8481 119.0052 53.5354 36.7496 174.8999 *131 G 3.7523 7.2918 109.4662 44.9630 0.0000 170.9682 132 E 4.1336 8.5422 117.1664 56.5750 29.5348 177.2744 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 E 8.29 4.57 0.00 2.12 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 0.00 2.40 2.36 0.00 5 I 8.02 4.84 2.11 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 1.22 0.91 0.99 0.00 0.00 6 V 9.04 3.61 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 1.01 0.00 0.00 0.99 0.00 0.00 7 K 8.25 3.81 0.00 1.90 1.85 0.00 1.97 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 8 E 8.06 4.12 0.00 1.76 1.66 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 2.28 2.26 0.00 9 Y 7.67 4.55 0.00 2.95 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 *11 K 7.81 4.09 0.00 1.89 1.75 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.50 7.81 12 T 8.65 4.24 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 1.21 0.00 0.00 13 Q 9.00 4.38 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 14 V 8.73 4.33 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 0.75 0.00 0.00 0.93 0.00 0.00 15 I 7.51 4.00 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 1.47 0.62 0.91 0.00 0.00 16 S 7.99 4.74 0.00 4.01 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 17 V 8.40 4.70 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 0.74 0.00 0.00 0.89 0.00 0.00 18 T 8.64 5.01 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 1.20 0.00 0.00 19 K 8.79 4.01 0.00 2.02 2.08 0.00 1.70 0.00 0.00 1.97 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.43 7.81 20 D 7.87 4.67 0.00 2.81 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 21 A 7.66 4.12 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 22 K 8.42 4.70 0.00 2.02 1.85 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.72 1.51 7.81 23 L 8.71 4.12 0.00 1.71 1.78 0.20 0.34 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 24 N 8.37 4.39 0.00 3.02 3.05 0.00 0.00 7.09 8.40 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 25 D 8.05 4.36 0.00 2.89 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 26 I 8.21 3.70 2.17 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.90 0.98 0.00 0.00 27 A 8.22 4.15 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 4.09 0.00 1.86 1.99 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 29 V 7.69 3.64 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 0.88 0.00 0.00 0.98 0.00 0.00 *31 T 7.83 4.29 4.38 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 1.21 0.00 0.00 32 E 8.24 4.05 0.00 1.97 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 0.00 2.35 2.60 0.00 33 K 8.50 4.02 0.00 1.75 1.86 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.59 1.52 7.81 34 N 7.55 4.16 0.00 2.86 2.83 0.00 0.00 6.91 7.82 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 35 I 7.37 4.68 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 1.35 0.85 0.98 0.00 0.00 36 G 8.53 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 37 S 7.82 5.37 0.00 3.71 3.68 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 38 V 8.65 4.50 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 0.85 0.00 0.00 0.92 0.00 0.00 39 I 8.38 4.41 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.92 0.94 0.00 0.00 40 V 8.72 4.65 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 0.95 0.00 0.00 0.80 0.00 0.00 41 V 8.65 4.79 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 0.96 0.00 0.00 42 D 8.94 4.70 0.00 2.53 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 43 G 7.66 4.08 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 0.00 0.00 0.00 44 N 7.74 4.54 0.00 2.68 2.83 0.00 0.00 6.70 6.68 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 45 K 7.45 4.72 0.00 1.88 1.82 0.00 1.53 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.40 7.81 46 P 0.00 4.75 0.00 2.02 1.98 0.00 3.58 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 1.99 2.07 0.00 47 V 8.74 4.41 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 0.65 0.00 0.00 0.96 0.00 0.00 48 G 7.31 4.17 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 0.00 49 I 8.54 5.21 1.84 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 1.20 0.98 0.90 0.00 0.00 50 I 8.92 4.84 1.81 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.64 1.01 0.00 0.00 51 T 8.82 4.94 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 1.05 0.00 0.00 52 E 8.82 3.98 0.00 2.07 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 0.00 2.35 2.56 0.00 53 R 7.99 3.93 0.00 1.90 1.96 0.00 3.21 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 54 D 8.09 4.58 0.00 3.02 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 I 7.72 3.68 2.06 0.00 0.00 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 1.57 1.14 0.86 0.00 0.00 56 V 7.77 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 0.86 0.00 0.00 0.98 0.00 0.00 57 K 8.59 4.01 0.00 1.92 2.02 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.48 7.81 58 A 8.10 3.94 1.06 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 0.00 0.00 59 I 7.57 3.86 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.56 0.87 0.00 0.00 60 G 8.43 3.72 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 0.00 61 K 7.49 4.44 0.00 1.76 1.85 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.61 7.81 62 G 7.79 4.06 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 0.00 0.00 0.00 63 K 7.67 4.14 0.00 1.73 1.68 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.36 7.81 64 S 7.91 4.59 0.00 4.00 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 65 L 8.24 4.10 0.00 1.70 1.72 0.90 0.78 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 66 E 7.72 4.37 0.00 1.99 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 2.27 2.41 0.00 67 T 7.53 3.91 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 1.38 0.00 0.00 68 K 8.67 4.66 0.00 1.87 1.93 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.48 7.81 69 A 9.01 3.41 1.23 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 70 E 8.14 3.88 0.00 2.04 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 2.56 2.29 0.00 71 E 8.16 4.38 0.00 2.28 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 0.00 2.35 2.28 0.00 72 F 7.73 4.78 0.00 3.05 2.98 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 *74 T 7.58 4.13 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 1.23 0.00 0.00 75 A 8.63 4.54 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 76 S 8.69 4.46 0.00 3.77 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.68 4.45 0.00 1.58 1.62 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.27 3.58 0.87 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.26 0.58 0.00 0.00 79 T 7.85 4.87 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 1.15 0.00 0.00 80 I 8.18 4.70 1.86 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 1.23 1.36 0.91 0.00 0.00 81 R 8.51 4.87 0.00 1.78 1.95 0.00 3.34 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 82 E 8.82 4.09 0.00 2.15 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 0.00 2.29 2.25 0.00 83 D 7.94 4.48 0.00 2.79 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 84 S 7.77 4.30 0.00 4.03 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 85 P 0.00 4.85 0.00 2.22 2.19 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 86 I 8.55 3.69 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.64 0.92 0.00 0.00 87 T 7.99 3.99 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 1.19 0.00 0.00 88 G 8.36 3.61 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 89 A 7.75 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.01 0.00 1.61 1.88 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.88 4.22 1.40 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 0.00 0.00 0.00 92 L 7.59 4.52 0.00 1.88 1.79 0.92 0.95 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 *94 R 7.95 4.23 0.00 1.87 2.14 0.00 3.17 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 95 Q 8.31 3.86 0.00 1.98 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 96 F 8.61 4.42 0.00 3.14 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 97 N 7.76 4.25 0.00 2.82 2.87 0.00 0.00 6.65 7.52 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 98 I 7.18 4.73 1.91 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 1.51 0.70 0.96 0.00 0.00 99 R 8.53 4.38 0.00 1.75 1.85 0.00 3.08 0.00 0.00 3.37 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 100 H 8.01 5.41 0.00 2.94 3.16 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 9.05 4.89 0.00 1.50 1.50 0.97 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 0.00 102 P 0.00 4.70 0.00 2.08 2.15 0.00 3.69 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 2.09 1.92 0.00 103 V 9.07 4.79 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 0.87 0.00 0.00 0.98 0.00 0.00 104 V 8.87 5.37 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 1.13 0.00 0.00 0.91 0.00 0.00 105 D 8.14 5.35 0.00 2.78 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 0.00 106 D 8.87 4.52 0.00 2.67 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 0.00 107 K 8.51 4.25 0.00 1.85 1.84 0.00 1.68 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 1.39 1.50 7.81 108 G 8.11 4.08 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 0.00 0.00 0.00 109 N 8.20 4.38 0.00 3.00 2.74 0.00 0.00 6.76 6.74 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 0.00 110 L 8.44 4.33 0.00 1.57 1.58 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 111 K 9.23 4.35 0.00 1.76 1.80 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.77 7.81 112 G 7.40 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 0.00 0.00 0.00 113 I 8.15 5.12 1.88 0.00 0.00 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 1.23 1.10 0.93 0.00 0.00 114 I 8.85 4.94 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.59 0.97 0.00 0.00 115 S 9.30 5.14 0.00 3.80 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 0.00 116 I 8.27 3.68 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.93 0.89 0.00 0.00 117 R 7.55 3.92 0.00 1.94 1.99 0.00 3.30 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 118 D 7.99 4.41 0.00 2.94 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 0.00 119 I 7.56 3.52 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 1.88 1.02 0.85 0.00 0.00 120 T 8.18 3.83 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 1.23 0.00 0.00 121 R 8.02 3.78 0.00 2.02 2.11 0.00 3.20 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 122 A 7.72 3.40 0.21 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 0.00 123 I 7.35 3.72 1.97 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 1.47 0.39 0.88 0.00 0.00 124 D 7.96 4.54 0.00 2.80 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 0.00 125 D 7.85 4.77 0.00 2.90 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 *131 G 7.29 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 0.00 132 E 8.54 4.13 0.00 1.97 1.87 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 2.31 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.