NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5179 8.1749 117.3732 63.7243 70.1612 173.0087 2 T 4.5911 9.0707 121.4211 60.1292 72.2246 171.4518 3 I 5.1207 9.2556 120.7937 59.3441 41.3171 174.5884 4 V 4.6533 8.9348 116.6882 59.9776 36.6280 174.2894 5 G 4.5491 8.5208 108.0180 44.7669 0.0000 172.4122 6 V 4.5838 9.0716 123.5579 61.1867 35.0021 174.4159 7 K 4.5559 8.8387 127.7850 55.7666 33.2179 175.7623 8 F 5.1200 8.0588 116.6998 54.2210 41.1574 175.3919 9 N 4.2427 9.1876 117.7093 55.7584 36.5410 175.2835 10 N 4.9512 8.2813 114.5621 51.7838 40.5426 174.5917 11 G 3.5393 6.0759 103.9074 45.4414 0.0000 172.8326 12 V 4.8603 7.8169 120.0082 60.2269 34.4387 173.8895 13 V 4.7825 8.9544 121.8364 59.9477 34.5513 174.3930 14 I 5.2102 8.3858 114.9759 59.3980 40.7576 173.8863 15 A 4.8900 8.8444 124.1032 51.0313 23.1816 174.4593 16 A 5.4623 8.4404 118.4074 52.1033 22.1930 176.1093 17 D 4.7720 8.5504 119.9865 52.4449 42.1506 176.1854 18 T 4.7617 8.1936 106.0064 61.5250 70.2815 172.9607 19 R 4.6393 8.5322 122.4750 55.9929 31.4829 175.4573 20 S 4.8909 8.9547 120.5327 56.6376 65.2502 172.6532 21 T 5.0800 8.6347 116.2386 60.0527 72.1447 173.7504 22 Q 4.3113 8.9938 123.1270 53.9293 30.3650 176.1893 23 G 3.8224 8.6973 117.2347 46.3502 0.0000 171.3506 24 P 4.5702 0.0000 0.0000 62.7696 31.9339 175.7814 25 I 4.2067 7.4818 121.0431 59.9431 38.4345 175.3816 26 V 4.2162 8.1711 124.5593 61.7474 30.5243 175.3899 27 A 4.1416 8.4729 131.9443 54.4104 18.7852 177.4992 28 D 4.6526 7.7342 115.0144 52.9253 43.8961 175.6005 29 K 4.3026 8.7149 125.1303 57.7272 33.2164 176.3884 30 N 5.3015 8.5431 117.8258 51.9978 37.7890 172.9591 31 C 4.6563 8.4659 115.1117 57.9861 31.9871 174.3412 32 A 4.6749 8.4132 120.5381 50.3381 20.2109 176.2561 33 K 4.3076 8.7843 120.8761 56.7981 33.7163 175.9995 34 L 5.0581 7.7420 121.1702 53.6716 42.7018 175.5327 35 H 5.0046 9.9879 122.3260 53.8659 32.3366 173.0292 36 R 3.6271 7.9438 121.7516 54.9109 30.3192 175.9390 37 I 3.9032 8.3942 128.4341 63.1929 38.0430 175.7351 38 S 4.5943 7.2121 112.2032 55.7322 66.1835 172.5437 39 P 4.3266 0.0000 0.0000 65.3957 31.1276 177.8334 40 K 4.7717 8.1678 114.6709 55.8946 32.8587 174.9576 41 I 4.8163 8.0244 120.3888 59.6702 39.9711 174.6111 42 W 5.0994 9.3501 127.0529 54.8629 32.7065 174.5533 43 C 5.3812 10.0171 122.4758 57.6891 34.6782 172.3141 44 A 5.3648 9.3383 127.9984 50.2464 20.9052 175.7388 45 G 4.6084 9.0376 109.5355 44.3412 0.0000 172.0785 46 A 4.8994 9.7139 124.4783 49.4532 22.9848 175.9681 47 G 4.1039 9.0648 103.4116 44.8118 0.0000 176.7550 48 T 4.1866 9.8905 125.7073 62.3808 68.5592 174.8272 49 A 3.9978 9.0222 129.2451 55.5374 18.2340 178.8821 50 A 3.9704 8.0407 118.3208 55.3891 18.3380 179.5483 51 D 4.2195 7.9832 117.1089 57.6471 41.1341 178.7329 52 T 3.8337 8.0446 110.4780 64.8383 68.6173 176.0479 53 E 3.6199 8.2108 121.9256 58.7947 29.7306 178.6573 54 A 3.9583 8.2162 121.4279 55.0854 18.4276 180.0320 55 V 3.5276 8.1593 118.2027 65.1727 31.4990 178.8347 56 T 3.8148 7.7703 116.3205 66.4652 68.1531 176.7482 57 Q 3.9508 8.0777 120.0616 58.4532 28.6952 178.2716 58 L 3.8651 7.9312 121.4216 58.4138 42.2300 179.2321 59 I 3.7729 7.7495 119.8229 64.1182 36.9289 178.7372 60 G 3.5434 8.0073 106.7937 47.6519 0.0000 175.6945 61 S 4.0470 8.2622 115.8193 61.3917 62.4405 176.1316 62 N 4.3832 8.2716 119.1010 56.2688 38.1049 177.5885 63 I 3.7131 8.3642 121.8137 64.0887 37.1489 178.0262 64 E 3.9123 8.3584 120.3270 59.3501 29.5227 178.8946 65 L 4.0317 8.0093 119.0177 58.0569 41.5574 179.0483 66 H 4.1622 8.5375 118.4309 59.0905 29.7796 177.1961 67 S 4.2068 8.4052 115.2389 61.5645 62.0330 176.2205 68 L 4.0097 7.8451 120.2054 57.9970 41.4209 178.6293 69 Y 4.0818 8.0493 118.8616 60.1615 38.8760 177.0417 70 T 4.3518 8.1941 107.9686 60.6695 69.6173 174.5753 71 S 3.7745 7.9941 116.6102 59.8326 61.1297 172.0229 72 R 4.7764 7.7079 115.7392 53.9968 33.8760 175.1868 73 E 4.2222 8.5233 119.0582 55.4397 30.1760 175.6396 74 P 4.4385 0.0000 0.0000 62.7560 32.3312 175.9454 75 R 4.8057 8.1733 119.9978 54.2733 32.5610 177.4735 76 V 3.6115 9.1156 121.9085 66.4257 31.5236 179.0639 77 V 3.6469 7.7883 111.1670 63.9916 31.2424 178.6319 78 S 4.0757 8.0935 115.2532 61.3813 62.7433 176.2610 79 A 3.9425 7.9172 122.9859 55.0900 18.1429 179.2814 80 L 3.8790 8.1636 119.0310 58.2997 42.1856 179.0430 81 Q 3.9818 7.9888 119.5571 59.3105 29.0105 177.9866 82 M 4.0803 8.2757 119.9986 58.2082 31.9038 178.7755 83 L 4.0173 8.1679 119.5855 57.6569 41.8506 179.7135 84 K 4.0264 8.1303 118.8244 60.2283 32.4777 179.2849 85 Q 4.2549 8.1763 119.1646 58.5369 28.3275 178.2173 86 H 4.2977 7.9499 118.4544 59.3688 29.8663 177.0534 87 L 4.1668 8.3307 121.1666 57.5892 41.3800 179.2938 88 F 4.0468 8.8043 121.1795 61.1662 39.1596 176.8823 89 K 3.7688 7.7731 117.6702 59.5320 32.1134 177.1627 90 Y 4.2643 7.5940 113.8397 56.5725 37.9260 175.5928 91 Q 2.9615 7.7877 118.3340 56.8381 27.0469 175.7578 *93 G 4.0370 7.9358 103.5076 45.3592 0.0000 174.3401 94 H 4.2253 8.5637 117.4777 57.8231 28.8744 175.5832 95 I 4.1490 7.5248 119.9031 59.7706 36.8518 176.8527 96 G 4.0433 8.9006 118.8987 45.8734 0.0000 171.2610 97 A 5.0413 7.3538 119.6936 50.3576 21.7035 177.3428 98 Y 4.5439 9.0645 120.4950 56.2894 40.7936 174.9118 99 L 5.3859 8.6720 123.3415 52.8719 46.0739 176.4116 100 I 4.5492 8.9166 122.8888 59.7553 39.4803 174.8118 101 V 4.8997 8.4721 127.0175 60.0060 33.1850 175.0291 102 A 4.8043 9.7975 125.6331 49.5388 23.3395 175.0697 103 G 4.4449 7.6649 108.9155 45.8960 0.0000 172.1078 104 V 4.5403 7.8315 112.8702 59.4966 34.3393 176.1638 105 D 4.2860 8.3854 121.3632 53.8423 39.1128 175.0266 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 T 8.17 4.52 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 2 T 9.07 4.59 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 3 I 9.26 5.12 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 1.38 0.70 0.94 0.00 0.00 4 V 8.93 4.65 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 0.75 0.00 0.00 0.95 0.00 0.00 5 G 8.52 4.55 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 0.00 0.00 0.00 6 V 9.07 4.58 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 1.09 0.00 0.00 0.96 0.00 0.00 7 K 8.84 4.56 0.00 1.78 1.65 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.35 7.81 8 F 8.06 5.12 0.00 3.19 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 9 N 9.19 4.24 0.00 2.89 3.13 0.00 0.00 5.69 8.04 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 10 N 8.28 4.95 0.00 2.72 2.98 0.00 0.00 6.79 7.98 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 11 G 6.08 3.54 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 0.00 0.00 0.00 12 V 7.82 4.86 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 0.71 0.00 0.00 1.00 0.00 0.00 13 V 8.95 4.78 2.21 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 1.10 0.00 0.00 0.94 0.00 0.00 14 I 8.39 5.21 1.98 0.00 0.00 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 1.31 0.77 0.97 0.00 0.00 15 A 8.84 4.89 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 16 A 8.44 5.46 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 17 D 8.55 4.77 0.00 2.70 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 18 T 8.19 4.76 4.44 0.00 0.00 0.00 0.00 0.00 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 19 R 8.53 4.64 0.00 1.84 2.03 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 20 S 8.95 4.89 0.00 3.92 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 21 T 8.63 5.08 4.46 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 0.00 0.00 0.00 1.21 0.00 0.00 22 Q 8.99 4.31 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.70 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 23 G 8.70 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 24 P 0.00 4.57 0.00 2.19 2.16 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 25 I 7.48 4.21 2.01 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 1.18 0.62 0.91 0.00 0.00 26 V 8.17 4.22 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 0.83 0.00 0.00 0.93 0.00 0.00 27 A 8.47 4.14 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 28 D 7.73 4.65 0.00 2.66 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 29 K 8.71 4.30 0.00 1.79 1.84 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.42 7.81 30 N 8.54 5.30 0.00 2.68 2.68 0.00 0.00 7.19 7.25 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 31 C 8.47 4.66 0.00 3.05 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 32 A 8.41 4.67 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 33 K 8.78 4.31 0.00 1.73 2.00 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.47 7.81 34 L 7.74 5.06 0.00 1.58 1.85 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.99 5.00 0.00 2.87 3.07 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.94 3.63 0.00 0.67 1.14 0.00 3.07 0.00 0.00 2.86 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.54 0.00 37 I 8.39 3.90 1.92 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 1.29 0.59 0.85 0.00 0.00 38 S 7.21 4.59 0.00 3.91 3.88 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 39 P 0.00 4.33 0.00 2.12 2.27 0.00 3.63 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 2.06 2.16 0.00 40 K 8.17 4.77 0.00 1.86 1.85 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.51 7.81 41 I 8.02 4.82 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 1.27 0.79 1.00 0.00 0.00 42 W 9.35 5.10 0.00 3.28 3.20 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 43 C 10.02 5.38 0.00 2.83 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 44 A 9.34 5.36 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 45 G 9.04 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 46 A 9.71 4.90 1.24 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 0.00 0.00 47 G 9.06 4.10 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 0.00 0.00 0.00 48 T 9.89 4.19 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 1.22 0.00 0.00 49 A 9.02 4.00 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 50 A 8.04 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.22 0.00 2.91 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 52 T 8.04 3.83 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 1.34 0.00 0.00 53 E 8.21 3.62 0.00 2.09 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 0.00 2.29 2.32 0.00 54 A 8.22 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 3.53 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 0.82 0.00 0.00 0.93 0.00 0.00 56 T 7.77 3.81 4.33 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 1.11 0.00 0.00 57 Q 8.08 3.95 0.00 2.05 2.09 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 2.31 2.48 0.00 58 L 7.93 3.87 0.00 1.78 1.68 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.75 3.77 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.29 0.87 0.00 0.00 60 G 8.01 3.54 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 0.00 0.00 0.00 61 S 8.26 4.05 0.00 3.89 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 62 N 8.27 4.38 0.00 2.74 2.82 0.00 0.00 7.12 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 63 I 8.36 3.71 2.05 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 1.42 0.90 0.90 0.00 0.00 64 E 8.36 3.91 0.00 2.07 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 2.35 0.00 65 L 8.01 4.03 0.00 1.92 1.73 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.54 4.16 0.00 3.25 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.41 4.21 0.00 4.07 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 68 L 7.85 4.01 0.00 1.94 1.76 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.05 4.08 0.00 3.07 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 70 T 8.19 4.35 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 1.20 0.00 0.00 71 S 7.99 3.77 0.00 4.02 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 72 R 7.71 4.78 0.00 1.76 1.80 0.00 3.23 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.85 0.00 73 E 8.52 4.22 0.00 1.98 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 2.33 2.29 0.00 74 P 0.00 4.44 0.00 2.05 1.99 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 75 R 8.17 4.81 0.00 1.85 1.81 0.00 3.15 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 76 V 9.12 3.61 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 1.12 0.00 0.00 1.04 0.00 0.00 77 V 7.79 3.65 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 0.84 0.00 0.00 0.93 0.00 0.00 78 S 8.09 4.08 0.00 4.04 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 79 A 7.92 3.94 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 80 L 8.16 3.88 0.00 1.88 1.84 0.93 0.71 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 81 Q 7.99 3.98 0.00 2.36 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 8.28 4.08 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 83 L 8.17 4.02 0.00 1.71 1.72 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.13 4.03 0.00 2.02 2.14 0.00 1.27 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.56 7.81 85 Q 8.18 4.25 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 86 H 7.95 4.30 0.00 3.27 3.55 0.00 5.95 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 87 L 8.33 4.17 0.00 1.76 1.69 0.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.80 4.05 0.00 3.23 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 89 K 7.77 3.77 0.00 1.96 1.95 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.98 1.34 7.81 90 Y 7.59 4.26 0.00 3.00 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 91 Q 7.79 2.96 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.48 0.00 0.00 0.00 0.00 0.00 2.04 2.28 0.00 *93 G 7.94 4.04 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 94 H 8.56 4.23 0.00 3.31 3.40 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.52 4.15 1.74 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.24 0.81 0.00 0.00 96 G 8.90 4.04 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 97 A 7.35 5.04 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 98 Y 9.06 4.54 0.00 3.05 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 99 L 8.67 5.39 0.00 1.51 1.67 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.92 4.55 1.93 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 1.33 0.77 0.96 0.00 0.00 101 V 8.47 4.90 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 0.73 0.00 0.00 0.96 0.00 0.00 102 A 9.80 4.80 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 0.00 103 G 7.66 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.83 4.54 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 0.74 0.00 0.00 0.96 0.00 0.00 105 D 8.39 4.29 0.00 2.79 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 * Residues marked with a * may have inaccurate shift predictions.