NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0765 8.0544 114.0597 60.9774 33.2493 174.9570 4 N 4.4442 8.3844 120.3475 52.1520 40.4197 174.6477 5 F 3.7925 9.7552 130.8648 61.8689 39.8466 176.5385 6 Y 3.9842 8.0267 116.0259 60.9606 37.8214 177.7303 7 D 4.6029 8.6159 119.4804 57.7823 40.8888 179.2383 8 V 3.5247 7.7857 118.1217 65.7735 31.4155 177.7050 9 A 3.6890 7.6873 120.5648 55.5161 18.0969 179.2982 10 Y 4.2162 7.8170 114.9519 61.1575 37.8708 178.2291 11 D 4.4118 8.0403 119.7755 57.1126 40.7671 178.5431 12 L 3.9033 8.0636 121.3152 57.8407 42.0833 178.3783 13 E 3.8602 8.4637 119.7499 59.4647 29.5585 178.6158 14 N 4.2670 8.2174 116.0928 56.2160 38.3907 177.1095 15 A 3.9759 7.8639 120.9736 55.0913 18.7708 179.1385 16 L 4.0263 8.0886 118.8628 58.4651 41.9873 179.1774 17 R 3.4406 8.0513 117.1381 58.8752 30.1056 178.3805 18 G 3.9132 7.8435 102.2759 44.0201 0.0000 174.1257 19 S 4.4450 7.4013 116.7738 57.5756 64.1774 175.0493 20 E 3.9830 8.8426 122.7089 59.5263 29.3403 178.9504 21 E 3.9764 8.2530 118.2588 59.4759 29.4698 179.0261 22 F 4.0825 8.2262 120.1476 61.4888 39.4777 177.2711 23 T 3.7737 7.9553 115.1798 66.6935 68.2520 176.7264 24 R 3.8651 8.2928 120.2581 59.0837 30.0175 178.8728 25 L 3.8535 7.7347 120.0156 57.9794 42.0305 178.9084 26 K 3.7080 7.7304 119.7863 59.4812 31.9935 178.4421 27 N 4.2851 8.4388 117.1202 56.3346 38.3832 177.3681 28 L 3.8981 7.9811 120.3273 57.8053 41.6664 178.9086 29 Y 3.7812 8.2601 119.7451 60.8863 38.7222 178.0146 30 D 4.3530 8.4234 119.9580 57.1339 40.6519 178.3838 31 E 3.8357 8.1122 119.2138 59.2429 30.0206 178.7005 32 V 3.5788 7.7316 118.3605 66.1848 31.3302 177.8243 33 N 4.2809 7.8085 114.5531 55.8992 38.3901 176.8747 34 A 4.3336 8.0071 121.0765 52.7890 18.8492 177.1932 35 D 4.5508 7.4768 117.1532 52.6577 41.7468 176.0013 36 E 3.9032 8.7498 128.6269 59.7350 29.3459 178.8804 37 S 4.0926 8.0616 112.8007 61.5948 63.1028 176.0852 38 A 3.9747 7.9513 122.2018 54.7462 18.3073 179.1378 39 K 4.0404 8.4735 118.6102 59.6693 32.2388 179.7007 40 R 3.9736 7.4931 115.1962 57.3019 29.7429 177.5075 *42 F 4.8729 8.0019 121.2040 57.9329 41.3491 176.8617 43 E 3.8571 8.7723 120.4186 59.4419 29.1898 178.7884 44 N 4.2468 8.2349 117.0663 56.4833 38.9779 176.5020 45 F 4.1599 8.1866 121.5033 61.5720 39.5919 177.0343 46 R 3.4122 7.7947 117.5012 59.1400 29.7088 178.9183 47 D 4.1941 8.1569 118.6503 57.2899 40.6863 178.6909 48 V 3.4976 7.4569 117.2645 66.3480 31.5761 177.6405 49 Q 3.9218 7.5574 117.4944 58.8385 28.8502 177.4586 50 L 4.0552 7.5544 120.7936 58.3068 42.1771 177.9756 51 R 3.7332 8.1167 118.2228 58.5946 29.7312 177.0288 *69 Q 4.2869 8.0061 121.2487 56.2348 31.6666 177.5726 70 A 4.0767 7.8587 119.3086 54.9908 18.5339 179.4101 71 Q 4.0337 8.0495 116.1871 58.5940 28.8348 178.4718 72 K 3.8717 8.1462 119.4254 60.0413 32.1562 178.9705 73 T 3.9237 7.7319 112.8048 64.8943 67.1521 176.4030 74 V 3.5520 7.8110 120.3476 65.9229 31.4008 177.7351 75 A 3.9672 7.6985 119.0160 55.1755 17.9947 179.0221 76 L 4.0639 8.0306 117.3696 58.5622 41.8246 180.4753 77 V 3.6535 7.7421 111.7620 64.2996 31.2187 178.7406 78 Q 4.1063 7.8941 118.5251 58.0894 28.5821 178.0394 79 Q 4.3221 7.5858 116.3351 56.0157 29.1335 175.1299 80 H 4.6002 7.7497 121.8227 54.4404 30.8044 174.8077 81 E 3.8587 8.7569 128.0047 59.4617 29.4826 178.6374 82 K 3.9360 7.7928 118.9708 59.5096 32.1552 178.6033 83 I 3.5538 7.9228 118.6686 64.4913 36.7894 178.0514 84 S 4.2334 8.2796 116.0542 61.5956 62.5501 176.7684 85 Q 4.2054 8.0594 120.7585 58.7303 28.3364 179.2006 86 L 4.1498 7.7002 117.7266 55.9598 41.7587 178.2482 *88 E 4.2239 8.1586 118.2942 55.9242 31.4176 177.9870 89 A 3.9937 8.1650 119.3355 55.1476 18.3862 179.1252 90 E 4.1132 8.3400 116.4855 59.7488 29.6799 179.1434 91 Q 4.2085 8.0160 117.6133 59.0266 29.2781 179.2674 92 R 4.1038 7.9406 117.0230 56.3120 30.2617 177.0223 *94 S 4.2061 7.9329 111.2138 58.1987 64.0067 175.0203 *96 L 4.2406 7.9453 121.3231 54.6881 43.6917 178.7115 97 I 3.8033 7.8673 118.8678 64.3106 36.9263 178.2962 98 G 3.7216 8.4291 106.8847 47.9762 0.0000 175.4561 99 E 3.9741 8.1355 120.4932 59.1189 29.5805 179.2316 100 L 3.9679 8.1002 119.0284 57.8317 41.4515 179.3260 101 N 4.3263 8.0477 115.1454 56.3878 38.6227 177.0469 102 K 4.0435 7.9688 118.4283 59.6341 32.2122 179.0896 103 I 3.9132 7.7856 119.1279 64.1271 37.3805 180.1266 104 I 4.0016 7.5553 113.0081 60.9566 38.0043 177.0297 *106 K 4.3625 8.0787 123.0603 56.9986 34.0953 175.4756 107 P 4.4670 0.0000 0.0000 65.9139 30.8741 178.4565 108 L 4.0775 7.8727 118.2835 57.6003 41.4705 178.6011 109 E 3.9947 8.1938 117.5610 59.3948 29.6279 178.1428 110 E 4.1267 8.3078 117.6682 59.3851 29.6485 178.8082 111 L 4.0172 7.6722 118.7190 58.3114 42.2884 176.8484 112 Y 4.2118 8.1050 119.5154 58.1717 38.1149 175.2257 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 3 V 8.05 4.08 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 0.86 0.00 0.00 0.93 0.00 0.00 4 N 8.38 4.44 0.00 2.91 2.99 0.00 0.00 6.54 6.82 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 5 F 9.76 3.79 0.00 3.04 2.65 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 6 Y 8.03 3.98 0.00 3.36 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 7 D 8.62 4.60 0.00 2.92 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 8 V 7.79 3.52 1.82 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 0.96 0.00 0.00 0.89 0.00 0.00 9 A 7.69 3.69 0.97 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 10 Y 7.82 4.22 0.00 3.08 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 11 D 8.04 4.41 0.00 2.88 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 L 8.06 3.90 0.00 1.64 1.73 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.46 3.86 0.00 2.06 2.17 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 2.28 2.34 0.00 14 N 8.22 4.27 0.00 3.00 2.84 0.00 0.00 6.94 7.34 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 15 A 7.86 3.98 1.33 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 0.00 0.00 16 L 8.09 4.03 0.00 1.72 1.74 0.98 1.26 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 17 R 8.05 3.44 0.00 1.81 1.82 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.60 0.00 18 G 7.84 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 19 S 7.40 4.45 0.00 4.31 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.84 3.98 0.00 2.04 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 2.39 2.36 0.00 21 E 8.25 3.98 0.00 2.15 2.04 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 2.43 2.46 0.00 22 F 8.23 4.08 0.00 3.30 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 23 T 7.96 3.77 4.42 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 1.21 0.00 0.00 24 R 8.29 3.87 0.00 1.96 1.95 0.00 3.37 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.95 0.00 25 L 7.73 3.85 0.00 1.77 1.57 0.93 0.57 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 26 K 7.73 3.71 0.00 1.11 1.59 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.37 7.81 27 N 8.44 4.29 0.00 2.73 2.82 0.00 0.00 7.07 6.58 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 28 L 7.98 3.90 0.00 1.86 1.64 0.92 0.57 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 29 Y 8.26 3.78 0.00 3.09 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 30 D 8.42 4.35 0.00 2.88 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 31 E 8.11 3.84 0.00 2.09 2.03 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 2.27 2.28 0.00 32 V 7.73 3.58 1.70 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 0.57 0.00 0.00 0.71 0.00 0.00 33 N 7.81 4.28 0.00 2.64 2.78 0.00 0.00 7.07 6.90 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 34 A 8.01 4.33 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 35 D 7.48 4.55 0.00 2.69 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 36 E 8.75 3.90 0.00 2.06 1.94 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 2.38 2.42 0.00 37 S 8.06 4.09 0.00 3.98 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 38 A 7.95 3.97 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 39 K 8.47 4.04 0.00 1.97 1.96 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.44 7.81 40 R 7.49 3.97 0.00 1.87 2.01 0.00 3.18 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 *42 F 8.00 4.87 0.00 3.12 3.25 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 43 E 8.77 3.86 0.00 2.12 1.98 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 2.37 2.53 0.00 44 N 8.23 4.25 0.00 2.86 2.85 0.00 0.00 6.90 7.17 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 45 F 8.19 4.16 0.00 3.11 3.14 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 46 R 7.79 3.41 0.00 1.75 1.73 0.00 2.45 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.97 0.00 47 D 8.16 4.19 0.00 2.83 2.65 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 48 V 7.46 3.50 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 0.76 0.00 0.00 0.94 0.00 0.00 49 Q 7.56 3.92 0.00 1.78 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 50 L 7.55 4.06 0.00 1.59 1.69 0.88 0.73 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 51 R 8.12 3.73 0.00 2.04 1.77 0.00 3.22 0.00 0.00 3.11 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 *69 Q 8.01 4.29 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 70 A 7.86 4.08 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 71 Q 8.05 4.03 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 72 K 8.15 3.87 0.00 1.89 1.90 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.53 7.81 73 T 7.73 3.92 4.31 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 1.40 0.00 0.00 74 V 7.81 3.55 2.30 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 1.07 0.00 0.00 1.31 0.00 0.00 75 A 7.70 3.97 1.36 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 0.00 0.00 0.00 76 L 8.03 4.06 0.00 1.92 1.76 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.74 3.65 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 0.80 0.00 0.00 0.33 0.00 0.00 78 Q 7.89 4.11 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 79 Q 7.59 4.32 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 80 H 7.75 4.60 0.00 3.15 3.26 0.00 5.60 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.76 3.86 0.00 2.05 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 2.33 2.39 0.00 82 K 7.79 3.94 0.00 1.87 1.83 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.52 7.81 83 I 7.92 3.55 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.47 0.91 0.00 0.00 84 S 8.28 4.23 0.00 4.02 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 85 Q 8.06 4.21 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 86 L 7.70 4.15 0.00 1.57 1.55 0.96 -0.16 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 *88 E 8.16 4.22 0.00 2.24 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 2.30 2.42 0.00 89 A 8.17 3.99 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 90 E 8.34 4.11 0.00 2.03 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 0.00 2.48 2.68 0.00 91 Q 8.02 4.21 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.72 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 92 R 7.94 4.10 0.00 1.95 1.96 0.00 3.26 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 *94 S 7.93 4.21 0.00 3.92 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 *96 L 7.95 4.24 0.00 1.81 1.71 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.87 3.80 2.01 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 1.60 0.77 0.97 0.00 0.00 98 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 99 E 8.14 3.97 0.00 2.17 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 2.41 2.35 0.00 100 L 8.10 3.97 0.00 1.81 1.70 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.05 4.33 0.00 2.83 2.89 0.00 0.00 7.09 7.20 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 0.00 102 K 7.97 4.04 0.00 1.86 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.74 7.81 103 I 7.79 3.91 2.05 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 1.58 0.60 0.91 0.00 0.00 104 I 7.56 4.00 1.95 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 1.72 0.58 0.91 0.00 0.00 *106 K 8.08 4.36 0.00 2.09 1.90 0.00 1.77 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.51 7.81 107 P 0.00 4.47 0.00 2.32 2.32 0.00 3.93 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 108 L 7.87 4.08 0.00 1.74 1.82 0.91 0.91 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 0.00 109 E 8.19 3.99 0.00 1.98 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 0.00 2.32 2.44 0.00 110 E 8.31 4.13 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 2.36 2.45 0.00 111 L 7.67 4.02 0.00 1.73 1.94 0.79 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.10 4.21 0.00 3.01 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 * Residues marked with a * may have inaccurate shift predictions.