NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9300 8.1400 114.7980 57.7923 64.6306 174.1774 2 L 4.0302 8.7375 123.6052 58.1167 41.8050 177.9547 3 L 4.0555 8.7784 119.8243 57.8576 41.9594 178.7607 4 E 4.0435 8.1852 118.3320 59.3131 29.2934 179.0659 5 F 4.6330 8.8776 121.3049 61.5080 39.4678 177.4194 6 G 3.5291 8.5290 105.5249 47.5907 0.0000 175.6308 7 K 4.0197 8.2864 121.9811 59.4434 32.1808 178.6057 8 M 4.3103 8.4767 118.7985 58.7170 32.0645 178.2485 9 I 3.5915 7.9650 120.2725 64.2436 37.1823 178.1456 10 L 4.4845 7.8665 122.3700 57.8088 41.7195 178.7032 11 E 3.9937 8.2860 117.5976 59.5344 29.4608 179.1147 12 E 4.1370 8.3246 117.8519 59.2381 29.7467 178.6248 13 T 4.4301 8.0995 107.2589 60.7639 70.3207 175.8518 14 G 3.7754 8.2438 109.5137 45.8736 0.0000 173.1024 *16 K 4.5036 7.4324 117.8597 55.8306 33.4990 175.1633 17 L 4.3482 8.1875 122.3512 54.4097 42.5354 177.9029 18 A 4.0009 8.9134 126.5739 54.8490 18.5242 177.1245 19 I 4.5983 7.6790 117.0861 59.5347 37.7556 173.6949 20 P 5.0046 0.0000 0.0000 61.8019 31.9877 176.4846 21 S 4.3059 8.0746 115.4721 60.7168 62.7758 174.5383 22 Y 4.7447 8.1860 115.0223 57.4124 39.1007 176.1871 23 S 4.7304 8.1675 116.0191 59.6580 63.8993 175.6457 24 S 4.7716 7.8345 115.9263 57.9804 63.5104 172.1816 25 Y 4.7091 8.1658 121.8841 58.2004 40.1246 175.6045 26 G 3.4750 8.1229 116.6097 46.8677 0.0000 173.0261 27 C 4.5360 9.1624 115.7769 58.0652 40.9457 173.7373 28 Y 4.5106 8.5873 114.6080 57.4558 40.0001 174.8282 29 C 4.7726 8.5411 118.9504 57.3163 40.9208 173.8853 30 G 4.6924 10.4788 113.5716 46.5593 0.0000 173.6034 31 W 4.9584 7.9381 118.6244 55.0637 32.8605 176.1005 32 G 4.0894 8.6456 114.5685 45.5656 0.0000 173.3785 33 G 4.3841 8.3614 108.4387 44.8284 0.0000 172.3031 34 K 4.6733 7.7569 116.8368 54.9271 36.3261 176.5988 35 G 4.3732 9.2271 106.9460 45.1908 0.0000 173.3890 36 T 4.2058 8.0398 115.8089 61.7628 69.0203 173.5603 37 P 4.6495 0.0000 0.0000 63.0711 31.8803 176.8275 38 K 3.7950 9.1403 121.8464 58.9176 32.2607 176.3144 39 D 4.4035 7.1925 115.7383 51.5403 41.8802 175.8366 40 A 3.9950 8.5230 119.8964 55.7535 18.1061 179.6953 41 T 4.0283 8.1060 113.8188 67.1202 68.5053 176.1001 42 D 4.6184 9.0590 120.1393 57.5134 41.1527 178.5019 43 R 3.9622 8.3156 118.7920 59.1444 29.9283 178.2192 44 C 4.2086 8.3717 116.6344 60.3746 39.2207 175.5938 45 C 4.3538 8.2362 117.8604 59.7473 40.8986 175.7541 46 F 3.6342 8.5590 122.6791 61.3595 38.8737 177.4492 47 V 3.4434 8.0883 117.8678 66.1082 31.2065 177.4272 48 H 3.8786 8.2946 118.1680 59.1332 29.5495 177.0167 49 D 4.1138 8.2014 121.0508 57.5023 40.6397 178.0717 50 C 4.0474 7.8404 117.0429 59.9563 39.8904 175.3876 51 C 4.6153 7.8660 120.7681 59.5239 44.4234 174.9903 52 Y 4.3554 8.0363 118.6069 61.0126 37.1761 178.7466 53 G 3.6106 8.1326 105.9384 47.4272 0.0000 175.0271 54 N 4.5262 8.1836 118.2391 54.6092 39.4281 174.5490 55 L 5.1194 7.5643 119.5152 52.7919 42.1133 175.1818 56 P 4.1808 0.0000 0.0000 65.6369 32.4122 178.4579 *59 D 4.9329 7.8978 117.2445 54.3502 42.5416 175.2835 *61 C 5.2517 7.6133 116.2407 57.3187 42.1730 172.9117 *67 N 5.0620 8.3097 116.4067 52.8462 38.3703 173.6875 68 P 4.0322 0.0000 0.0000 64.8909 32.1993 180.0137 69 K 4.0716 8.0687 119.1267 58.5023 32.2068 178.4700 70 S 4.4801 7.7780 111.0200 58.6798 64.9426 174.0396 71 D 4.4296 8.1545 121.3163 53.8572 41.4127 175.4087 72 R 4.4939 8.3952 125.6767 55.0144 31.4991 175.0787 73 Y 4.9568 7.8246 119.1327 55.0215 41.1067 174.6807 74 K 4.9829 8.5632 118.9751 55.0359 35.2058 174.9549 75 Y 5.5196 8.2626 120.3590 55.7180 41.5748 173.2746 76 K 4.6856 9.2392 118.6841 55.3937 36.9272 174.7013 77 R 5.1928 8.5271 118.6070 54.4424 32.4661 176.5055 78 V 4.0805 8.8658 123.3808 61.5018 33.0152 174.5727 79 N 4.3999 9.7977 125.6767 54.2927 35.6404 174.7394 80 G 4.1984 8.0953 107.8844 45.9243 0.0000 172.5658 81 A 4.2513 7.8304 121.5819 51.7748 19.6758 176.9077 82 I 4.5925 8.3000 122.6210 60.7291 38.5105 175.5529 83 V 4.3428 8.9587 127.3785 60.9823 33.8612 173.9543 84 C 4.8241 8.8623 126.4439 57.2103 40.5159 173.6514 85 E 4.6134 9.0056 123.9205 54.8749 31.1552 176.0893 86 K 4.4574 7.8945 122.5427 55.6451 33.6202 175.5884 *88 G 4.2649 8.2928 114.6949 45.2803 0.0000 172.8183 89 T 4.1735 8.6818 114.2957 61.2545 70.9657 175.7980 90 S 4.0871 8.5197 117.4723 62.0390 62.7851 177.6520 91 C 4.2528 8.1382 118.5053 60.1473 40.0477 175.8796 92 E 3.9938 8.1904 120.0384 59.5080 28.5216 179.2007 93 N 4.2770 8.3600 116.5610 56.4570 38.6134 177.7751 94 R 3.9230 8.0364 119.3926 59.0586 30.1143 179.0954 95 I 3.6143 8.0171 120.0767 64.4899 37.1217 177.4414 96 C 2.8954 7.9354 119.3664 59.4875 39.6279 175.5548 97 E 3.7929 7.9531 119.9067 59.4106 28.9555 178.7196 98 C 4.1461 8.0452 116.5608 60.0909 40.0510 175.9769 99 D 3.7947 7.9754 120.3812 56.9400 40.3622 178.4595 100 K 3.6709 8.1722 120.3585 59.5834 32.0285 178.4862 101 A 3.8527 7.7799 120.4286 55.1056 18.2453 179.4599 102 A 3.4824 7.7760 119.0198 54.9981 18.3929 179.7103 103 A 3.8533 8.1655 119.5372 55.3016 18.3759 179.8811 104 I 3.6159 7.7791 118.3654 64.6257 36.9505 177.7862 105 C 4.1912 8.0504 118.3549 59.7176 37.9349 175.2956 106 F 4.6016 8.1641 119.7336 60.6640 38.2322 177.5777 107 R 3.9500 8.1447 118.3154 59.5680 29.7210 178.2643 108 Q 4.1537 8.3907 117.8036 57.8974 29.2810 176.0955 109 N 5.3036 7.6474 114.7684 52.1173 39.8267 176.1482 110 L 4.1760 7.9341 121.9399 57.7310 41.8224 179.1808 111 N 4.3902 8.4485 116.0524 55.3035 37.0461 175.9527 112 T 4.6604 7.8179 105.8370 60.8052 69.3821 173.6189 113 Y 4.1474 7.8297 124.1542 58.5234 39.3606 175.2255 114 S 4.8683 8.8240 122.2684 56.3960 65.8741 175.3829 115 K 4.0339 8.8379 125.4724 58.9772 32.0271 179.0876 116 K 3.9163 7.7057 116.7159 59.0531 32.5622 176.9928 117 Y 4.4333 7.3420 116.7140 58.0923 38.1988 175.3844 118 M 4.3885 7.5851 120.7925 56.3998 32.4721 175.9601 119 L 3.6709 8.3080 120.9032 55.6705 39.9873 174.5243 120 Y 4.1529 7.6251 119.3502 56.8091 39.5713 173.7690 121 P 4.3837 0.0000 0.0000 62.2039 32.6029 176.5506 122 D 4.2237 8.8686 121.1566 57.3360 41.1756 178.1006 *124 F 4.8224 7.8324 111.1746 56.5324 39.5696 175.2597 125 L 3.8278 6.7750 119.3793 54.8390 41.2155 176.1665 126 C 4.9106 8.2035 117.6751 54.8873 35.9188 173.1884 127 K 4.6839 8.3859 123.1531 55.4062 35.8368 176.6679 128 G 4.2882 8.8876 110.0061 45.0394 0.0000 172.6976 129 E 4.5465 8.4758 119.8096 55.2814 30.7675 175.8037 130 L 4.7073 8.3955 122.7404 53.0282 44.2307 176.1269 131 K 4.1789 8.4768 125.4773 56.4882 33.0248 177.8815 *133 C 4.9282 8.5249 117.8048 57.5334 41.5385 173.8488 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 S 8.14 4.93 0.00 4.12 4.11 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 2 L 8.74 4.03 0.00 1.92 1.82 1.21 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.78 4.06 0.00 1.76 1.74 0.95 1.01 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 4 E 8.19 4.04 0.00 2.03 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 0.00 2.25 2.23 0.00 5 F 8.88 4.63 0.00 3.39 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 6 G 8.53 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 0.00 0.00 0.00 7 K 8.29 4.02 0.00 1.91 2.07 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.50 7.81 8 M 8.48 4.31 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 9 I 7.97 3.59 1.80 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.06 0.61 0.00 0.00 10 L 7.87 4.48 0.00 1.77 1.82 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.29 3.99 0.00 2.22 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 2.41 2.57 0.00 12 E 8.32 4.14 0.00 2.16 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 2.50 2.49 0.00 13 T 8.10 4.43 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 1.22 0.00 0.00 14 G 8.24 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 0.00 0.00 0.00 *16 K 7.43 4.50 0.00 1.90 1.63 0.00 1.39 0.00 0.00 0.95 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.25 7.81 17 L 8.19 4.35 0.00 1.71 1.73 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.91 4.00 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 19 I 7.68 4.60 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 1.54 0.71 0.95 0.00 0.00 20 P 0.00 5.00 0.00 2.18 2.15 0.00 3.36 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 21 S 8.07 4.31 0.00 3.80 3.28 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 0.00 22 Y 8.19 4.74 0.00 2.70 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 23 S 8.17 4.73 0.00 4.11 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 24 S 7.83 4.77 0.00 4.00 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 25 Y 8.17 4.71 0.00 3.07 2.83 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 26 G 8.12 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.16 4.54 0.00 2.93 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 28 Y 8.59 4.51 0.00 3.42 3.27 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 29 C 8.54 4.77 0.00 3.56 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 30 G 10.48 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 31 W 7.94 4.96 0.00 3.24 3.21 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 32 G 8.65 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 33 G 8.36 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 0.00 0.00 0.00 0.00 34 K 7.76 4.67 0.00 1.70 1.79 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.48 7.81 35 G 9.23 4.37 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 0.00 36 T 8.04 4.21 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 1.15 0.00 0.00 37 P 0.00 4.65 0.00 1.94 2.05 0.00 3.46 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 1.55 1.78 0.00 38 K 9.14 3.79 0.00 0.79 0.74 0.00 1.62 0.00 0.00 1.39 0.00 0.00 2.67 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.92 0.21 7.81 39 D 7.19 4.40 0.00 2.83 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 40 A 8.52 4.00 1.42 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 0.00 0.00 41 T 8.11 4.03 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 0.96 0.00 0.00 42 D 9.06 4.62 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 43 R 8.32 3.96 0.00 2.07 1.96 0.00 3.10 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.83 0.00 44 C 8.37 4.21 0.00 3.27 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 45 C 8.24 4.35 0.00 3.39 3.56 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 46 F 8.56 3.63 0.00 2.57 3.03 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 47 V 8.09 3.44 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 0.93 0.00 0.00 1.05 0.00 0.00 48 H 8.29 3.88 0.00 3.09 3.28 0.00 5.64 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 8.20 4.11 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.84 4.05 0.00 2.89 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 51 C 7.87 4.62 0.00 2.93 3.03 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 52 Y 8.04 4.36 0.00 3.01 2.78 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 53 G 8.13 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 54 N 8.18 4.53 0.00 2.92 2.84 0.00 0.00 6.60 6.83 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 55 L 7.56 5.12 0.00 1.60 1.51 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.18 0.00 2.19 2.28 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 *59 D 7.90 4.93 0.00 2.73 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 *61 C 7.61 5.25 0.00 3.01 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 *67 N 8.31 5.06 0.00 2.72 2.76 0.00 0.00 7.37 8.03 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 68 P 0.00 4.03 0.00 0.87 1.14 0.00 3.45 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.11 0.00 69 K 8.07 4.07 0.00 1.80 1.93 0.00 1.61 0.00 0.00 1.93 0.00 0.00 3.08 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.51 1.40 7.81 70 S 7.78 4.48 0.00 3.93 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 71 D 8.15 4.43 0.00 2.71 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 72 R 8.40 4.49 0.00 1.80 1.89 0.00 3.16 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 73 Y 7.82 4.96 0.00 3.08 3.06 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 74 K 8.56 4.98 0.00 1.75 1.89 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.26 5.52 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.24 4.69 0.00 1.79 1.90 0.00 1.28 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.43 7.81 77 R 8.53 5.19 0.00 1.72 1.91 0.00 3.38 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 78 V 8.87 4.08 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 1.02 0.00 0.00 0.95 0.00 0.00 79 N 9.80 4.40 0.00 2.82 2.79 0.00 0.00 7.19 7.65 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 80 G 8.10 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 81 A 7.83 4.25 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 82 I 8.30 4.59 1.84 0.00 0.00 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 1.28 0.62 0.80 0.00 0.00 83 V 8.96 4.34 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 0.96 0.00 0.00 84 C 8.86 4.82 0.00 2.97 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 85 E 9.01 4.61 0.00 2.04 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 2.34 2.47 0.00 86 K 7.89 4.46 0.00 1.80 1.69 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.40 7.81 *88 G 8.29 4.26 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 0.00 89 T 8.68 4.17 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 1.27 0.00 0.00 90 S 8.52 4.09 0.00 3.87 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 91 C 8.14 4.25 0.00 2.95 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 92 E 8.19 3.99 0.00 2.30 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 2.54 2.53 0.00 93 N 8.36 4.28 0.00 2.85 2.83 0.00 0.00 7.06 7.43 0.00 0.00 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 8.04 3.92 0.00 1.82 1.92 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 95 I 8.02 3.61 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.61 0.99 0.00 0.00 96 C 7.94 2.90 0.00 2.22 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 97 E 7.95 3.79 0.00 2.07 1.89 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 2.43 2.42 0.00 98 C 8.05 4.15 0.00 3.18 2.93 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 99 D 7.98 3.79 0.00 2.68 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 0.00 100 K 8.17 3.67 0.00 1.62 1.89 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.38 7.81 101 A 7.78 3.85 1.28 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 0.00 0.00 0.00 102 A 7.78 3.48 1.02 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 0.00 0.00 103 A 8.17 3.85 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 0.00 104 I 7.78 3.62 1.94 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 1.38 0.75 0.88 0.00 0.00 105 C 8.05 4.19 0.00 2.92 3.01 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 0.00 106 F 8.16 4.60 0.00 3.02 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 0.00 107 R 8.14 3.95 0.00 1.97 2.14 0.00 3.17 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 108 Q 8.39 4.15 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.65 5.30 0.00 3.02 2.86 0.00 0.00 7.23 6.26 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 0.00 110 L 7.93 4.18 0.00 1.74 1.76 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.45 4.39 0.00 2.90 3.13 0.00 0.00 5.83 7.22 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 0.00 112 T 7.82 4.66 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 1.27 0.00 0.00 113 Y 7.83 4.15 0.00 3.01 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 0.00 114 S 8.82 4.87 0.00 3.68 3.42 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 0.00 115 K 8.84 4.03 0.00 1.82 1.89 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.74 1.59 7.81 116 K 7.71 3.92 0.00 1.62 1.70 0.00 1.24 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.60 0.28 7.81 117 Y 7.34 4.43 0.00 1.57 1.86 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 0.00 118 M 7.59 4.39 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.67 0.00 119 L 8.31 3.67 0.00 1.83 1.74 0.92 0.63 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 0.00 120 Y 7.63 4.15 0.00 3.06 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 0.00 121 P 0.00 4.38 0.00 2.42 2.16 0.00 2.66 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 1.50 1.84 0.00 122 D 8.87 4.22 0.00 2.78 2.78 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 *124 F 7.83 4.82 0.00 3.24 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 0.00 125 L 6.77 3.83 0.00 1.09 1.50 0.35 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.20 4.91 0.00 3.01 3.21 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 0.00 127 K 8.39 4.68 0.00 1.81 1.66 0.00 1.56 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.50 7.81 128 G 8.89 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 0.00 129 E 8.48 4.55 0.00 2.16 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 2.30 2.34 0.00 130 L 8.40 4.71 0.00 1.54 1.64 0.79 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.48 4.18 0.00 1.90 1.76 0.00 1.77 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.50 7.81 *133 C 8.52 4.93 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.