NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3227 8.3344 115.2908 57.7176 62.6292 172.9704 2 L 3.9035 8.3597 131.3063 53.7678 42.2028 173.7867 3 S 4.7886 8.8075 121.2485 56.3862 64.7563 172.3626 4 I 4.5878 8.3798 127.0565 60.5116 41.2696 173.8791 5 G 4.1606 9.6053 111.9230 44.0903 0.0000 171.6166 6 R 4.8010 8.9993 115.6743 55.3992 33.6441 175.6938 7 T 4.5567 8.4896 107.0151 62.0401 70.2319 173.7827 8 C 5.2850 7.5018 122.6697 58.2102 34.5860 172.8898 9 W 5.2071 9.6088 125.1799 54.8718 33.3704 174.0260 10 A 5.1970 8.8284 123.5236 50.2760 21.6775 175.4872 11 I 4.4710 8.9671 123.1407 59.4167 39.2333 176.5981 12 A 4.0098 8.8744 130.4631 53.5094 18.7180 176.3341 13 E 4.5286 7.4785 115.9909 54.1961 32.5123 175.3624 14 G 2.8437 8.0628 108.9348 45.6030 0.0000 171.9585 15 Y 4.9586 7.3133 122.1539 56.9660 42.5663 172.8037 16 I 4.4990 7.8839 127.9637 58.7847 38.7704 173.5968 17 P 4.6623 0.0000 0.0000 61.5512 32.1399 176.1352 18 P 4.5823 0.0000 0.0000 62.6648 30.3442 176.6826 *31 E 4.7226 8.2104 121.2822 57.1324 31.1143 175.5520 32 T 5.0027 7.9151 115.0961 61.5274 72.2078 172.8208 33 V 4.5703 8.6504 126.2111 61.1393 34.6604 173.7016 34 C 4.9897 9.1437 125.5958 58.0246 30.5797 172.7360 35 I 4.7607 8.6837 124.6123 59.2619 40.1599 174.0612 36 L 4.6730 9.0479 129.5583 53.4057 44.3853 174.5919 37 N 5.0905 9.1361 126.1333 52.0213 39.2569 174.6379 38 A 4.2746 8.6712 126.9770 52.4985 19.3923 177.4665 39 G 4.0151 8.0973 106.3699 44.0193 0.0000 174.1571 40 D 4.7660 8.4331 116.7355 54.0950 41.1864 176.1243 41 E 4.7703 7.6475 120.1551 53.8609 32.1892 175.2520 42 D 4.5823 8.8424 125.6311 54.7630 41.9682 175.5193 43 A 4.6149 8.8497 124.9589 50.9026 20.7790 176.0097 44 H 4.9402 9.3447 121.7715 55.1648 29.7015 174.8679 45 V 4.5458 9.0136 124.8043 61.7946 33.6214 174.5570 46 E 5.3772 9.3858 125.7747 54.7045 33.3086 174.6144 47 I 5.1764 9.2331 125.1955 59.8470 40.5010 174.6021 48 T 5.0729 9.0617 123.0387 61.8982 71.6019 172.9988 49 I 4.7452 8.7627 127.5256 60.2024 39.1071 174.4790 50 Y 4.8483 8.9813 124.3655 56.4720 41.1241 174.2650 51 Y 5.3627 8.3990 118.2723 56.2224 41.9710 175.8099 52 S 4.4319 9.1224 114.8117 60.8224 63.5714 175.1979 53 D 4.8266 8.0338 117.4428 52.8085 40.4258 174.4191 54 K 4.5850 7.8299 116.6361 55.7682 35.1155 175.2013 55 E 4.1317 8.6254 119.6707 55.8090 29.9412 175.6320 56 P 4.4586 0.0000 0.0000 62.6820 32.1155 175.7234 57 V 4.3313 9.6917 119.6981 59.7322 33.7369 176.0080 58 G 4.0738 7.8668 113.4044 44.8424 0.0000 169.2601 59 P 4.7776 0.0000 0.0000 62.7312 32.6235 175.5312 60 Y 4.6043 9.1424 120.9496 57.5978 39.1377 174.6181 61 R 5.3440 8.5011 123.2567 54.6627 32.9257 175.1163 62 L 4.5399 8.5756 121.1122 55.5072 44.3725 173.4940 63 T 5.0453 8.4915 115.9218 61.7678 71.3792 173.9651 64 V 4.2374 8.6984 126.6699 60.4236 33.1038 173.4007 65 P 4.9278 0.0000 0.0000 61.8954 32.3425 176.1907 66 A 3.9301 8.7555 122.9171 53.4240 18.6995 178.1714 67 R 3.8595 8.2886 120.6030 57.2400 28.4829 176.3526 68 R 4.7635 7.7941 113.5526 54.8915 35.1042 175.1866 69 T 5.0200 8.4451 115.5209 60.5070 69.8853 173.4634 70 K 4.6390 8.8862 126.9623 55.0669 36.0511 174.4014 71 H 5.0625 8.8889 123.9967 54.4492 30.4103 174.3984 72 V 4.1778 8.8572 124.3281 61.0140 33.7107 174.8361 73 R 4.6657 8.3587 127.8767 55.2080 30.9452 177.7393 74 F 4.2779 9.0559 123.2210 60.4235 39.1988 177.2777 75 N 4.3695 8.3534 118.0272 55.9698 38.7978 174.7954 76 D 4.7390 7.8019 115.5652 53.9917 41.7750 176.4317 77 L 4.2833 7.6613 121.5366 54.7214 41.7922 177.3986 78 N 5.4087 8.7741 117.3231 52.1505 38.9775 173.2646 79 D 4.7421 8.1695 118.1491 51.8795 43.0527 173.7976 80 P 4.1970 0.0000 0.0000 65.0384 31.7623 176.1848 81 A 4.4362 7.2385 118.7778 50.5979 21.5837 173.8333 82 P 4.8320 0.0000 0.0000 61.9758 32.1251 176.3375 83 I 4.1248 8.0455 122.5187 59.4905 37.9034 174.3844 84 P 4.2911 0.0000 0.0000 63.4692 31.4080 175.8616 85 H 4.4690 8.6527 117.5204 55.6716 29.6690 174.2623 86 D 4.7842 8.3395 116.7453 54.2748 40.0691 173.2432 87 T 4.7865 7.1442 111.6210 61.0235 71.5648 173.6469 88 D 5.0206 8.9757 126.6000 54.4223 41.4993 175.4871 89 F 5.1788 8.3272 117.4495 55.4065 41.7893 173.1034 90 A 4.9217 9.0997 119.6745 50.2326 22.9406 175.1593 91 S 5.3722 9.2556 113.1904 56.6447 67.0652 173.0398 92 V 4.9429 8.9470 121.1787 61.2815 34.4298 174.2242 93 I 4.9957 9.2953 128.4498 59.9116 39.8321 174.5439 94 Q 5.3169 9.3933 126.4806 54.3976 32.1452 174.8107 95 S 5.2899 8.9218 115.1288 56.6370 65.3700 174.0020 96 N 4.6042 8.9790 121.6649 54.8157 37.7495 175.6556 97 V 4.5459 7.3316 110.2464 58.2598 35.4769 173.2363 98 P 4.5945 0.0000 0.0000 63.5311 31.8408 175.4790 99 I 4.9079 9.2340 116.8865 59.2186 41.9882 173.8790 100 V 4.6665 8.5863 121.9321 60.9568 33.8917 174.3018 101 V 4.4095 6.0521 126.4438 60.8597 34.0888 174.2084 102 Q 4.4358 8.9844 127.9193 54.4963 33.0510 173.0475 103 H 5.3165 8.8702 124.7896 54.7338 31.6947 173.6977 104 T 4.1569 7.7553 113.3652 61.7062 68.4615 174.6035 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 8.33 4.32 0.00 3.85 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 2 L 8.36 3.90 0.00 1.85 1.54 0.93 0.49 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 3 S 8.81 4.79 0.00 3.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.38 4.59 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.05 0.95 0.00 0.00 5 G 9.61 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 0.00 0.00 0.00 6 R 9.00 4.80 0.00 1.61 1.81 0.00 2.21 0.00 0.00 2.68 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 7 T 8.49 4.56 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 1.28 0.00 0.00 8 C 7.50 5.29 0.00 2.92 2.69 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 9 W 9.61 5.21 0.00 3.27 3.07 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 10 A 8.83 5.20 1.17 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 0.00 0.00 0.00 0.00 0.00 11 I 8.97 4.47 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.92 0.87 0.00 0.00 12 A 8.87 4.01 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 13 E 7.48 4.53 0.00 1.89 1.78 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 2.17 2.23 0.00 14 G 8.06 2.84 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 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.31 4.96 0.00 2.96 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 16 I 7.88 4.50 1.69 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.65 0.59 0.00 0.00 17 P 0.00 4.66 0.00 2.11 2.16 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 18 P 0.00 4.58 0.00 2.21 2.17 0.00 3.91 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 *31 E 8.21 4.72 0.00 2.39 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 0.00 2.35 2.43 0.00 32 T 7.92 5.00 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 1.08 0.00 0.00 33 V 8.65 4.57 1.61 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 0.81 0.00 0.00 0.76 0.00 0.00 34 C 9.14 4.99 0.00 2.70 2.69 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 35 I 8.68 4.76 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.68 0.83 0.00 0.00 36 L 9.05 4.67 0.00 1.66 1.44 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.14 5.09 0.00 2.84 2.81 0.00 0.00 6.69 8.40 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 38 A 8.67 4.27 1.29 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 39 G 8.10 4.02 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 0.00 40 D 8.43 4.77 0.00 2.68 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 41 E 7.65 4.77 0.00 1.93 1.78 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 2.15 2.29 0.00 42 D 8.84 4.58 0.00 2.54 2.50 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 43 A 8.85 4.61 1.23 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 0.00 0.00 0.00 44 H 9.34 4.94 0.00 3.14 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 9.01 4.55 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 1.04 0.00 0.00 1.00 0.00 0.00 46 E 9.39 5.38 0.00 1.95 1.85 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 2.26 2.31 0.00 47 I 9.23 5.18 2.00 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 1.32 0.79 1.06 0.00 0.00 48 T 9.06 5.07 4.45 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 0.00 0.00 0.00 0.90 0.00 0.00 49 I 8.76 4.75 1.81 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.48 0.15 0.00 0.00 50 Y 8.98 4.85 0.00 2.76 2.82 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 51 Y 8.40 5.36 0.00 3.04 2.86 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 52 S 9.12 4.43 0.00 4.04 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 53 D 8.03 4.83 0.00 2.75 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 54 K 7.83 4.58 0.00 1.80 1.73 0.00 1.31 0.00 0.00 1.50 0.00 0.00 2.26 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.44 7.81 55 E 8.63 4.13 0.00 1.98 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 2.33 2.26 0.00 56 P 0.00 4.46 0.00 1.56 0.63 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 57 V 9.69 4.33 2.32 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 1.05 0.00 0.00 1.02 0.00 0.00 58 G 7.87 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 59 P 0.00 4.78 0.00 2.13 2.17 0.00 3.71 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 1.96 2.00 0.00 60 Y 9.14 4.60 0.00 2.97 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 61 R 8.50 5.34 0.00 1.70 1.85 0.00 3.25 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 62 L 8.58 4.54 0.00 1.75 1.75 0.91 0.45 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 63 T 8.49 5.05 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 1.28 0.00 0.00 64 V 8.70 4.24 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 1.06 0.00 0.00 0.91 0.00 0.00 65 P 0.00 4.93 0.00 1.97 1.97 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 66 A 8.76 3.93 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 67 R 8.29 3.86 0.00 1.97 2.00 0.00 3.11 0.00 0.00 3.41 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 68 R 7.79 4.76 0.00 1.82 1.73 0.00 3.24 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 69 T 8.45 5.02 4.22 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 1.19 0.00 0.00 70 K 8.89 4.64 0.00 1.78 1.52 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.38 7.81 71 H 8.89 5.06 0.00 3.00 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.86 4.18 1.87 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 0.66 0.00 0.00 0.83 0.00 0.00 73 R 8.36 4.67 0.00 1.90 1.84 0.00 3.18 0.00 0.00 3.62 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 74 F 9.06 4.28 0.00 3.29 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 75 N 8.35 4.37 0.00 2.70 2.89 0.00 0.00 6.91 8.47 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 76 D 7.80 4.74 0.00 2.82 2.69 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 77 L 7.66 4.28 0.00 1.62 1.42 0.66 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.77 5.41 0.00 2.79 2.88 0.00 0.00 6.10 8.06 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 79 D 8.17 4.74 0.00 2.62 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 80 P 0.00 4.20 0.00 2.03 1.97 0.00 2.20 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.57 0.00 81 A 7.24 4.44 1.23 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 0.00 0.00 0.00 82 P 0.00 4.83 0.00 2.07 2.02 0.00 3.74 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 83 I 8.05 4.12 1.59 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.26 0.24 0.00 0.00 84 P 0.00 4.29 0.00 2.17 2.03 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.83 0.00 85 H 8.65 4.47 0.00 3.17 3.26 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.34 4.78 0.00 2.71 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 87 T 7.14 4.79 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 1.41 0.00 0.00 88 D 8.98 5.02 0.00 2.67 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 89 F 8.33 5.18 0.00 2.66 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 90 A 9.10 4.92 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 91 S 9.26 5.37 0.00 4.04 4.02 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 92 V 8.95 4.94 2.35 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 1.16 0.00 0.00 0.92 0.00 0.00 93 I 9.30 5.00 2.05 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 1.33 0.73 0.97 0.00 0.00 94 Q 9.39 5.32 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 95 S 8.92 5.29 0.00 3.93 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 96 N 8.98 4.60 0.00 2.91 2.98 0.00 0.00 5.85 7.68 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 97 V 7.33 4.55 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 0.78 0.00 0.00 0.94 0.00 0.00 98 P 0.00 4.59 0.00 1.99 2.15 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 99 I 9.23 4.91 1.96 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 1.45 1.08 1.00 0.00 0.00 100 V 8.59 4.67 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 0.82 0.00 0.00 1.03 0.00 0.00 101 V 6.05 4.41 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 0.00 0.00 0.58 0.00 0.00 0.25 0.00 0.00 102 Q 8.98 4.44 0.00 1.95 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 103 H 8.87 5.32 0.00 3.14 3.18 0.00 5.78 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 7.76 4.16 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 1.17 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.