NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4690 8.1933 115.4115 57.7317 64.9093 174.6337 3 L 3.7715 8.3429 120.0054 57.5788 41.2933 174.8145 4 V 3.6222 8.5393 113.1239 64.5169 31.9624 177.9526 5 E 3.9131 8.0482 117.6256 59.2706 29.2636 179.1656 6 A 4.0078 7.9618 120.7220 55.6380 18.4311 179.8529 7 T 3.8323 7.7757 113.7008 66.8548 68.5595 177.0292 8 L 4.0187 8.1773 120.7257 57.5128 41.3157 179.3631 9 E 4.0883 8.0021 118.2532 59.0418 29.3768 178.9114 10 V 4.1980 7.4153 118.4224 63.8180 31.9677 177.0587 11 I 4.5092 7.7438 109.0909 60.6385 38.4403 176.5517 12 G 3.6705 8.6180 110.2458 47.6349 0.0000 174.9693 13 G 3.7534 7.9617 108.8652 45.0804 0.0000 172.6440 14 K 3.8007 8.2785 122.7759 57.3996 32.7794 176.6635 15 W 4.1781 8.4980 125.3210 57.1781 27.9530 176.3296 16 K 3.8120 7.7142 115.5726 57.7329 31.9495 178.4198 *18 V 4.0234 7.8112 120.0254 63.1276 33.3057 176.6735 19 I 3.9440 8.4258 120.7137 64.6841 36.6649 180.1874 20 L 4.2556 7.8355 119.4740 55.2664 41.2122 179.1727 *22 H 4.6618 8.3285 117.7923 55.9816 30.7835 175.5488 23 L 4.4475 8.0984 118.4401 56.6722 41.1791 178.8346 24 T 4.1385 7.4182 108.2007 63.9252 68.9128 175.3605 25 H 4.7528 8.7869 117.7874 55.4533 29.3356 174.7177 26 G 4.4559 6.8838 107.1888 42.5846 0.0000 172.7366 27 K 4.9530 7.8504 119.6831 57.0414 33.3052 176.4445 28 K 4.9156 8.5029 119.1771 55.4959 37.0536 175.3843 29 R 4.9492 9.6669 120.5683 55.0852 31.8263 177.3223 30 T 3.9123 8.9035 110.2663 65.2180 68.1783 176.2166 31 S 4.0975 8.0646 116.3021 61.2636 62.9448 176.2771 32 E 3.8925 8.0758 121.7837 59.1111 29.1387 179.0316 33 L 3.9316 7.5041 116.9982 57.8091 41.6687 179.5388 34 K 3.9912 7.7507 117.5812 59.5590 32.0640 179.3017 35 R 4.0884 7.4432 116.9194 58.7860 29.9919 177.9789 36 L 4.2455 7.5076 117.7035 54.5973 42.5063 176.2047 *38 P 4.2939 0.0000 0.0000 62.3132 32.9810 176.3763 39 N 4.7237 7.8641 114.3662 53.0367 39.6101 174.4436 40 I 3.6134 6.7826 119.0322 59.6793 38.8820 175.2432 41 T 4.2067 7.9383 116.9195 60.7660 70.1744 174.4041 42 Q 3.9749 8.6466 123.9423 59.4108 29.2607 178.9982 43 K 3.9410 7.9083 114.5010 57.3027 31.9121 177.6173 *45 L 4.0900 8.0393 120.2230 55.0432 43.8384 178.7043 46 T 3.8048 7.8848 115.1038 66.7067 68.4444 176.1209 47 Q 3.9431 8.2313 121.2996 59.5244 29.0332 178.5493 48 Q 4.0388 8.0027 118.4055 58.9492 28.8122 178.5572 49 L 3.8146 8.1616 120.3641 57.7485 41.5222 179.8634 50 R 3.9913 7.8346 117.6641 59.2096 29.9844 178.9682 51 E 3.9999 8.1239 118.1094 59.4065 29.6177 179.3308 52 L 4.0157 8.2140 119.3376 57.6981 41.5612 179.3117 53 E 4.3084 8.5776 120.4454 58.7895 29.4377 178.6527 54 A 4.0361 7.9661 119.6540 55.1098 18.4807 178.4715 55 D 4.6874 8.4254 115.3302 54.2340 40.8111 177.9697 56 G 4.0734 8.0359 107.8282 46.1331 0.0000 174.9543 57 V 4.2714 7.7885 113.2085 62.0223 32.7897 175.8608 58 I 5.3132 7.6663 113.2274 59.2213 41.4504 173.6938 59 N 5.2608 9.3625 121.2979 51.5058 41.7076 173.5528 60 R 4.7088 8.5958 118.8801 54.6465 31.8144 175.4938 61 I 4.1590 8.9211 125.0407 59.6866 39.0442 174.7899 62 V 4.2978 8.1300 128.1590 61.8550 32.4653 175.0957 63 Y 4.2003 9.3760 127.6017 56.9589 38.5147 174.5890 64 N 5.0533 8.6344 123.6486 52.2058 37.3623 174.4647 65 Q 4.4122 7.9149 119.4351 54.6418 31.9098 174.4568 66 V 4.2826 8.1203 116.9938 60.7133 33.2177 173.7659 67 P 4.5509 0.0000 0.0000 61.2886 32.1191 174.6006 68 P 4.7272 0.0000 0.0000 63.1909 32.1784 175.7156 69 K 4.6549 8.6864 123.1299 55.1019 36.1340 174.7456 70 V 5.0065 8.3774 125.3481 61.2507 34.3181 174.1372 71 E 4.9819 9.3591 126.1229 54.7382 34.0410 174.1823 72 Y 5.3016 9.0531 118.3914 56.3223 41.7968 174.8449 73 E 5.0997 9.1957 120.0159 54.1771 33.8391 174.3794 74 L 4.5230 8.5769 123.8866 54.9799 42.7786 176.8462 75 S 4.5151 8.8008 121.7004 57.9250 64.1487 175.0176 76 E 3.9634 8.9304 120.6641 59.6778 29.4805 177.8468 77 Y 4.4886 8.1313 119.1994 60.7237 38.9776 177.9081 78 G 3.5010 8.2561 106.7137 47.7755 0.0000 175.4928 79 R 4.0131 8.0357 120.9073 58.8956 29.7930 177.9469 80 S 4.3374 7.8384 111.5916 59.3741 63.3005 174.9770 81 L 4.4242 7.7099 122.7459 55.0193 41.9351 177.8266 82 E 4.0714 8.1665 119.1376 59.5127 29.0540 179.4934 83 G 3.5587 7.9279 105.2368 47.6493 0.0000 175.3120 84 I 3.8595 7.5979 120.8549 63.8920 37.2438 177.7719 85 L 4.1522 7.7905 120.3133 58.1351 41.9590 179.1662 86 D 4.4523 7.9035 113.8890 55.3626 40.7581 176.9400 *88 L 4.1268 7.6861 117.7607 54.7452 43.4662 178.2794 *90 A 4.2766 7.9122 123.5606 52.0798 20.5693 179.6857 91 W 4.1030 8.3113 124.8333 60.4703 30.7316 178.2964 92 G 3.7488 8.9221 106.0570 47.7756 0.0000 175.4725 93 A 3.9764 7.9800 122.7267 55.1221 18.2468 179.3872 94 N 4.2210 7.6213 113.6321 56.2423 38.5484 177.1138 95 H 3.8739 7.4276 119.3602 58.9990 30.2892 177.0506 96 I 3.8360 7.8186 115.1456 63.9010 37.1937 177.4733 97 N 4.7809 7.8525 118.6988 53.6081 39.1157 176.0484 98 R 4.1080 8.0375 125.2259 56.7915 30.0710 178.5551 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 2 S 8.19 4.47 0.00 4.01 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 3 L 8.34 3.77 0.00 1.78 1.75 0.92 0.57 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 V 8.54 3.62 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 0.78 0.00 0.00 0.91 0.00 0.00 5 E 8.05 3.91 0.00 2.14 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 2.31 2.31 0.00 6 A 7.96 4.01 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 7 T 7.78 3.83 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 1.18 0.00 0.00 8 L 8.18 4.02 0.00 1.79 1.69 0.88 0.79 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 9 E 8.00 4.09 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 2.56 2.46 0.00 10 V 7.42 4.20 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 1.00 0.00 0.00 1.08 0.00 0.00 11 I 7.74 4.51 1.84 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 1.69 0.81 0.87 0.00 0.00 12 G 8.62 3.67 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 0.00 0.00 0.00 13 G 7.96 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 14 K 8.28 3.80 0.00 1.53 1.67 0.00 0.94 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 0.21 7.81 15 W 8.50 4.18 0.00 3.64 3.37 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 16 K 7.71 3.81 0.00 1.97 1.86 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.45 7.81 *18 V 7.81 4.02 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 0.94 0.00 0.00 1.01 0.00 0.00 19 I 8.43 3.94 2.07 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 1.30 0.71 0.88 0.00 0.00 20 L 7.84 4.26 0.00 1.72 1.67 0.90 0.97 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 *22 H 8.33 4.66 0.00 3.37 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.10 4.45 0.00 1.86 1.75 0.97 0.58 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 24 T 7.42 4.14 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 1.30 0.00 0.00 25 H 8.79 4.75 0.00 3.29 3.39 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 6.88 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 0.00 0.00 0.00 0.00 27 K 7.85 4.95 0.00 1.90 1.90 0.00 1.47 0.00 0.00 2.43 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.37 7.81 28 K 8.50 4.92 0.00 1.75 1.72 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.70 7.81 29 R 9.67 4.95 0.00 1.90 2.16 0.00 2.72 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.57 0.00 30 T 8.90 3.91 4.25 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 1.36 0.00 0.00 31 S 8.06 4.10 0.00 4.05 4.16 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 0.00 0.00 0.00 0.00 32 E 8.08 3.89 0.00 2.13 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 2.39 2.39 0.00 33 L 7.50 3.93 0.00 1.75 1.66 0.85 0.78 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 34 K 7.75 3.99 0.00 1.85 1.80 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.57 7.81 35 R 7.44 4.09 0.00 1.86 1.96 0.00 3.30 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 36 L 7.51 4.25 0.00 1.52 1.30 0.80 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 *38 P 0.00 4.29 0.00 2.19 2.19 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 39 N 7.86 4.72 0.00 2.95 3.08 0.00 0.00 6.87 7.45 0.00 0.00 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 I 6.78 3.61 0.56 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.16 0.48 0.00 0.00 41 T 7.94 4.21 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 1.21 0.00 0.00 42 Q 8.65 3.97 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.18 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 43 K 7.91 3.94 0.00 1.82 1.74 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.43 7.81 *45 L 8.04 4.09 0.00 1.59 1.79 0.76 0.69 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 46 T 7.88 3.80 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 1.22 0.00 0.00 47 Q 8.23 3.94 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 48 Q 8.00 4.04 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.67 0.00 0.00 0.00 0.00 0.00 2.51 2.68 0.00 49 L 8.16 3.81 0.00 1.42 1.16 0.36 0.53 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 50 R 7.83 3.99 0.00 2.05 1.99 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 51 E 8.12 4.00 0.00 2.17 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 2.34 2.62 0.00 52 L 8.21 4.02 0.00 1.83 1.73 0.90 1.11 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 53 E 8.58 4.31 0.00 2.25 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 2.36 2.41 0.00 54 A 7.97 4.04 1.39 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 0.00 0.00 0.00 55 D 8.43 4.69 0.00 2.76 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 56 G 8.04 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 0.00 0.00 0.00 57 V 7.79 4.27 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 0.72 0.00 0.00 1.04 0.00 0.00 58 I 7.67 5.31 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.07 0.95 0.00 0.00 59 N 9.36 5.26 0.00 2.68 2.74 0.00 0.00 6.81 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 60 R 8.60 4.71 0.00 1.34 2.01 0.00 3.00 0.00 0.00 3.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 61 I 8.92 4.16 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.65 0.51 0.00 0.00 62 V 8.13 4.30 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 0.78 0.00 0.00 0.88 0.00 0.00 63 Y 9.38 4.20 0.00 3.08 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 64 N 8.63 5.05 0.00 2.60 2.79 0.00 0.00 6.92 7.69 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 65 Q 7.91 4.41 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 66 V 8.12 4.28 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 0.94 0.00 0.00 67 P 0.00 4.55 0.00 2.07 1.95 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 68 P 0.00 4.73 0.00 1.94 2.00 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 69 K 8.69 4.65 0.00 1.65 1.49 0.00 1.31 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.00 1.21 7.81 70 V 8.38 5.01 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 0.60 0.00 0.00 0.93 0.00 0.00 71 E 9.36 4.98 0.00 2.01 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 2.16 2.29 0.00 72 Y 9.05 5.30 0.00 2.86 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 9.20 5.10 0.00 2.03 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 2.37 2.27 0.00 74 L 8.58 4.52 0.00 1.70 1.66 1.00 0.94 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 75 S 8.80 4.52 0.00 4.07 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 76 E 8.93 3.96 0.00 2.02 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 0.00 2.36 2.42 0.00 77 Y 8.13 4.49 0.00 3.05 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 78 G 8.26 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 4.01 0.00 2.21 1.98 0.00 3.16 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 80 S 7.84 4.34 0.00 4.03 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 81 L 7.71 4.42 0.00 1.76 1.66 0.79 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.17 4.07 0.00 2.21 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 0.00 2.58 2.33 0.00 83 G 7.93 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 0.00 0.00 0.00 84 I 7.60 3.86 1.99 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 1.49 0.55 0.87 0.00 0.00 85 L 7.79 4.15 0.00 1.71 1.89 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.90 4.45 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 *88 L 7.69 4.13 0.00 1.95 1.74 0.89 0.86 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 *90 A 7.91 4.28 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 91 W 8.31 4.10 0.00 3.43 3.37 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 92 G 8.92 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 93 A 7.98 3.98 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 94 N 7.62 4.22 0.00 2.46 2.67 0.00 0.00 7.03 9.28 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 95 H 7.43 3.87 0.00 2.01 3.18 0.00 5.95 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 96 I 7.82 3.84 1.85 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 1.82 0.84 0.98 0.00 0.00 97 N 7.85 4.78 0.00 2.76 2.82 0.00 0.00 6.98 8.57 0.00 0.00 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 R 8.04 4.11 0.00 1.93 1.75 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 * Residues marked with a * may have inaccurate shift predictions.