NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5244 8.1749 117.3750 63.7256 70.0974 173.0029 2 T 4.5897 9.4603 121.4378 60.1241 72.1633 171.4598 3 I 5.2002 9.2696 120.8106 59.3138 41.3560 174.6220 4 V 4.6481 8.8716 116.4989 59.8796 36.6295 174.4151 5 G 4.4767 8.5549 108.2527 44.6754 0.0000 172.2917 6 V 4.5704 9.0027 124.3305 61.1675 34.8065 174.2662 7 K 4.9502 8.8797 127.6791 55.5403 33.6982 175.9050 8 F 5.0910 8.6463 118.1938 54.1604 41.1009 175.4373 9 N 4.1858 8.9650 117.6527 55.8524 36.6631 174.7394 10 N 4.8479 7.7835 115.4588 51.0988 40.3552 174.5128 11 G 3.5923 5.5119 103.8883 45.3987 0.0000 172.1995 12 V 5.1964 7.8713 118.9004 60.2445 34.8702 175.1683 13 V 4.7434 9.0677 121.1812 60.0044 34.7355 174.2417 14 I 5.1702 8.4654 115.7946 59.2675 40.5416 174.0911 15 A 4.9006 8.6448 124.2666 50.9063 23.1456 174.3585 16 A 5.5980 8.4720 118.8039 52.1408 22.3550 175.7164 17 D 4.7726 8.5348 119.9049 52.4658 41.9105 176.2634 18 T 4.8480 8.1781 105.2343 60.4307 70.3298 172.7418 19 R 4.9434 8.5138 122.5874 55.5393 31.4113 175.3976 20 S 5.0350 8.8136 120.8312 56.8622 65.5217 172.6225 21 T 5.2345 8.2888 114.2485 60.5925 72.6671 173.4256 22 Q 4.3099 8.7735 120.3224 54.9255 31.9950 175.7751 23 G 3.8789 8.3597 115.4789 46.5194 0.0000 171.5550 24 P 4.7007 0.0000 0.0000 62.1282 31.7737 174.8136 25 I 4.1823 7.4300 120.9619 60.0031 38.1829 175.1860 26 V 4.0689 8.2838 125.0420 62.6058 31.6434 175.5289 27 A 4.1071 8.9700 131.8366 54.4991 18.7972 176.9199 28 D 4.7956 7.7437 115.1857 52.2983 43.4943 176.2933 29 K 4.1920 8.7476 125.9328 58.8281 32.8951 177.1519 30 N 5.2531 8.5308 117.4756 52.5483 38.3077 173.1074 31 C 4.7094 9.1207 118.2917 57.0134 33.1116 174.0004 32 A 4.8330 8.4147 121.6368 50.7449 19.6872 176.9843 33 K 4.3609 8.7470 120.9561 56.4982 33.8058 175.7882 34 L 4.9230 7.7485 121.2052 53.7321 42.8174 175.4779 35 H 4.9164 9.5975 121.8836 53.8568 31.8510 173.4787 36 R 3.1889 7.9422 122.9583 54.8358 29.8933 175.9153 37 I 3.8914 8.1143 128.6705 63.4420 37.8933 176.0907 38 S 4.5471 7.2974 112.1858 56.0034 65.7551 172.7612 39 P 4.3844 0.0000 0.0000 65.4302 31.3493 177.3183 40 K 4.9500 7.9498 116.0813 56.0635 34.1505 176.4588 41 I 4.7043 8.3699 121.8686 59.7467 40.0466 174.1758 42 W 5.0973 9.0948 126.8515 54.9128 32.1509 174.7884 43 C 5.3469 9.6926 123.7304 57.6503 34.1468 172.3604 44 A 5.1317 9.3019 128.6378 50.6581 20.6387 176.0223 45 G 4.5315 8.9817 108.7164 44.4009 0.0000 171.7540 46 A 4.8736 9.8985 126.1499 49.0363 22.7876 175.7244 47 G 4.1258 9.0771 103.8476 45.1096 0.0000 176.8453 48 T 4.2264 9.5851 125.8160 62.2089 68.0580 175.0638 49 A 3.9773 8.8405 129.2520 55.4968 18.3705 178.8822 50 A 3.9823 8.0921 118.1885 55.2631 18.2609 179.4987 51 D 4.2445 8.4259 118.2921 57.5849 41.0438 178.9847 52 T 3.7997 7.7839 109.8855 64.6012 68.7807 175.9598 53 E 3.6569 8.2304 121.8575 58.8380 29.7061 178.5638 54 A 3.9134 7.8453 120.8782 55.2753 18.6277 180.0048 55 V 3.4679 8.0032 117.8760 65.1726 31.2854 178.6934 56 T 3.7941 7.8473 116.3421 66.4132 68.1710 176.7400 57 Q 3.8641 8.0103 119.8757 58.8217 28.8130 178.0030 58 L 3.9617 7.8508 121.3448 58.7287 41.9427 179.2551 59 I 3.7834 7.6411 118.8942 64.1236 36.9944 178.6830 60 G 3.5520 8.0438 106.6846 47.7694 0.0000 175.6056 61 S 4.0435 8.7547 116.3457 61.3396 62.3716 176.1417 62 N 4.4004 8.1924 119.0359 56.2706 38.2338 177.5829 63 I 3.7209 8.1513 121.8150 63.9002 37.0234 178.1297 64 E 3.8723 8.1375 120.3667 59.3909 29.6054 178.7719 65 L 3.9917 7.9156 119.0307 58.0780 41.5608 179.1701 66 H 4.1162 8.5585 118.3899 59.1815 29.8400 177.0881 67 S 4.2138 8.5564 115.3006 61.6286 61.9809 176.2005 68 L 4.0091 7.9618 120.2911 57.9211 41.4230 178.6377 69 Y 4.1196 7.9809 118.6634 60.7322 38.9409 177.5727 70 T 4.2485 8.1989 108.0740 61.4870 69.5362 174.6197 71 S 3.8219 8.2145 116.7937 59.7948 60.9528 171.9181 72 R 4.7457 7.7532 116.2220 53.9099 33.7482 175.5355 73 E 4.1478 8.6313 120.0639 55.8911 30.1301 175.5388 74 P 4.5001 0.0000 0.0000 62.6277 32.5189 176.1254 75 R 4.8619 8.1196 119.4596 54.5147 32.5262 177.8540 76 V 3.6840 8.9841 120.8796 66.0701 31.4866 179.0440 77 V 3.6983 7.7461 111.4883 63.8563 31.5057 178.4944 78 S 4.0958 7.8684 115.0175 61.3558 62.6246 176.3783 79 A 3.9863 7.8626 123.0989 54.9885 18.2792 179.2700 80 L 3.8741 8.1442 119.0536 58.2140 42.1200 178.9417 81 Q 4.0190 8.1145 119.5460 59.0872 28.9191 177.8444 82 M 4.0973 7.9389 119.4616 58.2741 31.9630 178.4850 83 L 4.0632 8.2015 119.6809 57.5654 41.7854 179.4347 84 K 3.9524 8.1067 118.4076 60.5395 32.4898 179.1179 85 Q 4.0707 8.1898 118.9607 58.4716 28.2956 178.3287 86 H 4.2882 7.7479 119.0593 59.2866 30.4465 176.9044 87 L 4.1553 8.1264 120.8704 57.8743 41.5253 179.3419 88 F 4.0853 8.6982 120.9489 61.1181 39.0806 176.9848 89 K 3.9088 7.9344 117.9916 59.1517 32.0817 177.0575 90 Y 4.2405 7.7962 115.4813 57.3588 38.4344 175.6245 91 Q 3.0138 7.4803 116.4641 56.7804 25.8034 175.9560 *93 G 4.1900 7.7556 104.4445 45.3695 0.0000 175.1105 94 H 4.2754 8.5477 117.2845 58.0193 28.8208 175.4491 95 I 4.0496 6.9627 119.9831 59.3858 36.9683 177.2108 96 G 4.0063 8.5035 117.5642 45.9146 0.0000 169.6535 97 A 5.0579 7.3764 122.0092 50.4262 22.2000 175.9418 98 Y 4.5687 8.8744 119.6765 56.1946 41.0612 174.7841 99 L 5.3524 8.7133 123.4818 52.9098 45.8745 176.5856 100 I 4.5218 8.9849 123.6611 59.7657 39.2341 174.6150 101 V 4.8721 8.3708 126.6466 60.2310 33.4195 175.0032 102 A 4.6330 9.4560 124.7536 50.9204 23.3558 174.6219 103 G 5.0364 7.9217 103.9492 44.6602 0.0000 172.8704 104 V 4.5451 7.6509 113.3768 59.7126 34.3339 176.0442 105 D 4.2464 8.3412 120.5604 54.0433 38.7831 175.1598 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 4.25 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 1.24 0.00 0.00 2 T 9.46 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 9.27 5.20 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.95 0.00 0.00 4 V 8.87 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 0.81 0.00 0.00 0.94 0.00 0.00 5 G 8.55 4.48 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 6 V 9.00 4.57 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 1.09 0.00 0.00 0.95 0.00 0.00 7 K 8.88 4.95 0.00 1.70 1.70 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 8 F 8.65 5.09 0.00 3.23 3.08 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 9 N 8.97 4.19 0.00 2.85 3.11 0.00 0.00 5.67 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 7.78 4.85 0.00 2.59 2.76 0.00 0.00 6.82 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 5.51 3.59 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 0.00 0.00 0.00 12 V 7.87 5.20 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 1.05 0.00 0.00 13 V 9.07 4.74 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 1.02 0.00 0.00 0.89 0.00 0.00 14 I 8.47 5.17 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.98 0.00 0.00 15 A 8.64 4.90 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 8.47 5.60 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 8.53 4.77 0.00 2.69 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 8.18 4.85 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 19 R 8.51 4.94 0.00 1.85 2.02 0.00 3.20 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 20 S 8.81 5.03 0.00 3.94 3.73 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 21 T 8.29 5.23 4.34 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 1.22 0.00 0.00 22 Q 8.77 4.31 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.68 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 23 G 8.36 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 0.00 0.00 0.00 24 P 0.00 4.70 0.00 2.18 2.14 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 25 I 7.43 4.18 1.98 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 0.88 0.91 0.00 0.00 26 V 8.28 4.07 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 0.82 0.00 0.00 0.93 0.00 0.00 27 A 8.97 4.11 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 28 D 7.74 4.80 0.00 2.67 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 4.19 0.00 1.79 1.86 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.43 7.81 30 N 8.53 5.25 0.00 2.67 2.68 0.00 0.00 7.12 7.81 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 31 C 9.12 4.71 0.00 3.03 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 32 A 8.41 4.83 1.27 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 0.00 0.00 33 K 8.75 4.36 0.00 1.74 2.01 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.47 7.81 34 L 7.75 4.92 0.00 1.59 1.86 0.96 1.03 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 35 H 9.60 4.92 0.00 3.06 3.09 0.00 5.60 0.00 0.00 0.00 0.00 6.78 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 3.19 0.00 0.67 1.11 0.00 3.10 0.00 0.00 2.93 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 37 I 8.11 3.89 1.96 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 1.27 0.57 0.85 0.00 0.00 38 S 7.30 4.55 0.00 3.92 3.87 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 39 P 0.00 4.38 0.00 2.12 2.28 0.00 3.62 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 2.17 0.00 40 K 7.95 4.95 0.00 1.73 1.84 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.49 7.81 41 I 8.37 4.70 1.87 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 1.28 0.75 1.00 0.00 0.00 42 W 9.09 5.10 0.00 3.27 3.22 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 0.00 0.00 0.00 43 C 9.69 5.35 0.00 2.92 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 44 A 9.30 5.13 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 45 G 8.98 4.53 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 46 A 9.90 4.87 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 47 G 9.08 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 0.00 0.00 0.00 0.00 48 T 9.59 4.23 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 1.26 0.00 0.00 49 A 8.84 3.98 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 50 A 8.09 3.98 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 51 D 8.43 4.24 0.00 2.88 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 52 T 7.78 3.80 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 1.32 0.00 0.00 53 E 8.23 3.66 0.00 2.17 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 0.00 2.30 2.34 0.00 54 A 7.85 3.91 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 55 V 8.00 3.47 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 0.80 0.00 0.00 0.88 0.00 0.00 56 T 7.85 3.79 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 1.11 0.00 0.00 57 Q 8.01 3.86 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 58 L 7.85 3.96 0.00 1.66 1.69 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.64 3.78 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 0.37 0.86 0.00 0.00 60 G 8.04 3.55 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 61 S 8.75 4.04 0.00 3.87 4.03 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 62 N 8.19 4.40 0.00 2.75 2.82 0.00 0.00 7.10 6.61 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 63 I 8.15 3.72 1.93 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 1.35 0.63 0.90 0.00 0.00 64 E 8.14 3.87 0.00 2.04 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 0.00 2.31 2.35 0.00 65 L 7.92 3.99 0.00 1.90 1.74 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.56 4.12 0.00 3.21 3.48 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.56 4.21 0.00 3.99 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 68 L 7.96 4.01 0.00 1.92 1.76 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.98 4.12 0.00 3.09 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 70 T 8.20 4.25 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 71 S 8.21 3.82 0.00 4.04 3.98 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 72 R 7.75 4.75 0.00 1.76 1.80 0.00 3.24 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.84 0.00 73 E 8.63 4.15 0.00 1.97 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 2.33 2.30 0.00 74 P 0.00 4.50 0.00 2.05 1.99 0.00 3.67 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 2.12 0.00 75 R 8.12 4.86 0.00 1.85 1.82 0.00 3.14 0.00 0.00 3.27 7.36 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 8.98 3.68 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 1.05 0.00 0.00 1.05 0.00 0.00 77 V 7.75 3.70 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 0.78 0.00 0.00 0.93 0.00 0.00 78 S 7.87 4.10 0.00 4.12 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 79 A 7.86 3.99 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 80 L 8.14 3.87 0.00 1.89 1.85 0.93 0.41 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 81 Q 8.11 4.02 0.00 2.39 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 7.94 4.10 0.00 2.11 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 2.80 2.53 0.00 83 L 8.20 4.06 0.00 1.78 1.69 0.93 0.91 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 84 K 8.11 3.95 0.00 2.03 2.15 0.00 1.27 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.57 7.81 85 Q 8.19 4.07 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 86 H 7.75 4.29 0.00 3.26 3.56 0.00 5.96 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 8.13 4.16 0.00 1.90 1.70 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.70 4.09 0.00 3.21 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 89 K 7.93 3.91 0.00 2.03 2.11 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.08 1.35 7.81 90 Y 7.80 4.24 0.00 3.09 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 7.48 3.01 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.46 0.00 0.00 0.00 0.00 0.00 2.06 2.28 0.00 *93 G 7.76 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 0.00 0.00 0.00 94 H 8.55 4.28 0.00 3.29 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 6.96 4.05 1.75 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.34 0.77 0.00 0.00 96 G 8.50 4.01 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 0.00 0.00 0.00 97 A 7.38 5.06 1.08 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 98 Y 8.87 4.57 0.00 3.07 2.89 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 0.00 0.00 0.00 99 L 8.71 5.35 0.00 1.50 1.56 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.98 4.52 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 0.82 0.96 0.00 0.00 101 V 8.37 4.87 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 0.97 0.00 0.00 102 A 9.46 4.63 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 0.00 103 G 7.92 5.04 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 0.00 104 V 7.65 4.55 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 0.78 0.00 0.00 0.97 0.00 0.00 105 D 8.34 4.25 0.00 2.81 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 * Residues marked with a * may have inaccurate shift predictions.