NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.5449 8.1701 112.9254 60.9031 70.1548 172.9660 8 A 4.6999 8.8378 128.1374 50.0664 21.8159 174.7760 9 F 5.1903 8.4374 117.0191 56.5862 44.0119 171.5840 10 L 5.3504 7.9783 125.0810 53.5855 46.2205 174.3439 11 N 5.0978 9.6214 123.3754 52.1572 41.8826 173.1482 12 S 4.7413 8.9426 123.0507 56.9242 62.5167 172.7790 13 L 4.8765 8.0840 128.7247 53.5774 45.3552 175.1869 14 F 5.7296 8.3373 120.0136 55.2645 43.6158 172.6207 *16 D 4.9351 8.5536 117.7302 55.2963 42.1504 175.3523 17 F 5.2450 9.4179 122.5703 56.1456 41.1342 176.2251 18 T 4.3351 8.8182 109.2896 63.0317 69.6264 175.1629 19 S 4.4859 7.5989 115.4986 55.7991 66.9507 173.7137 20 E 3.9711 8.4175 126.2372 59.0373 29.4171 178.8759 21 N 4.3803 8.1494 118.9321 56.9094 38.7130 177.6787 22 E 4.1241 7.9725 119.5932 60.6835 29.9123 180.7938 23 L 2.5157 7.3953 120.2259 57.8848 42.1044 178.9297 24 E 3.9289 8.2131 118.6393 59.3184 29.1540 179.1883 25 L 3.9894 8.0654 119.7667 58.0494 42.4657 178.3910 26 F 3.7067 8.1621 120.5564 61.2129 39.0727 177.0664 27 L 3.9800 7.8156 118.1786 57.7584 41.2777 179.3312 28 K 4.2206 8.1621 116.0230 57.8907 32.3235 178.2498 29 S 4.6584 7.7392 114.8322 57.8462 63.4815 175.3495 30 L 3.8016 7.3857 123.9341 58.1677 41.1767 178.7684 31 D 4.3129 8.0767 115.9938 57.6467 41.2180 177.8911 32 E 4.1317 8.2049 117.7260 58.3053 29.4740 177.9053 33 V 3.9815 7.4311 116.9040 64.2614 32.6477 176.9341 34 W 4.3618 8.4291 122.9799 55.2602 27.5863 176.7547 35 S 4.6613 7.6554 118.2198 57.6377 65.1244 174.8292 36 E 4.1850 8.6980 122.1012 59.2795 29.5103 178.2331 37 D 4.3090 8.0450 117.7646 57.1513 41.4449 177.4778 38 L 3.8598 8.0039 120.9504 58.7327 42.0193 178.5851 39 Y 4.5199 7.9680 116.2747 61.2461 37.7966 178.8705 40 S 4.1979 8.0031 114.2138 61.3946 62.5221 176.5021 41 R 3.9402 7.9662 120.3967 59.3012 29.8838 179.0231 42 L 4.0810 8.4305 119.2672 57.7660 41.5639 179.4331 43 S 4.4372 8.8779 114.6678 60.9518 62.1309 176.1852 44 A 4.0591 7.8513 121.7374 54.9428 18.3155 178.8098 45 A 4.2557 8.0186 117.8975 52.4902 18.6295 177.8526 46 G 3.9543 7.5357 104.9840 45.3435 0.0000 173.2899 47 L 4.4646 8.5116 124.5208 55.1463 42.5595 177.2069 48 I 4.2924 8.8067 127.4025 63.0871 38.7144 176.3320 49 R 4.6703 7.5101 118.1752 55.2046 34.8771 174.0578 50 H 4.9373 8.4033 121.0556 54.8217 32.6566 172.3871 51 V 4.1609 8.2574 126.2883 60.9450 33.5916 174.5285 52 I 4.4963 8.0920 128.2162 59.6783 39.0021 175.1107 53 S 4.7549 8.9593 122.5994 56.4618 67.4303 172.9852 54 K 4.6254 8.5647 123.9048 55.2547 32.9277 176.0407 55 V 3.9563 8.3739 128.8467 62.1905 32.2974 175.5235 56 W 4.4139 8.9257 135.0000 57.0603 29.9008 174.8363 57 N 4.1493 7.5734 123.6567 53.2101 41.1491 176.0954 58 K 3.8752 8.4460 127.5646 56.9342 32.0779 174.0445 59 E 4.3836 8.5533 115.1736 56.9710 29.7146 175.8895 60 Q 4.5954 7.4105 115.8646 54.5510 33.1443 174.7983 61 H 5.0128 8.3948 115.4216 53.8065 29.0858 171.6723 62 R 5.0782 8.0080 120.3709 54.3347 33.7392 174.1234 63 I 4.9601 8.5559 125.6755 59.9007 40.5804 175.0770 64 S 5.3226 8.7381 121.3530 55.8619 65.7491 172.0749 *66 V 4.2120 8.0449 118.1839 62.8889 32.6867 174.5101 67 F 5.1533 9.2626 126.2417 55.6466 42.1728 174.0730 68 E 5.1523 8.7905 122.2442 54.8075 32.9263 174.6957 69 Y 5.4872 9.0919 120.3415 56.0528 41.9871 176.2397 70 D 4.7108 9.3897 121.2599 56.2284 40.8598 175.9774 71 S 4.5558 7.8353 112.1904 56.1233 65.4867 176.1565 72 K 2.7790 8.3665 120.9076 59.3590 31.6097 178.3833 73 E 3.9963 8.0715 118.5686 59.0660 29.3099 179.3645 74 G 3.6602 8.0704 105.9295 47.6085 0.0000 174.9481 75 Y 2.6097 7.4920 122.1410 60.1040 38.7441 178.4487 76 Q 3.4939 7.7465 118.6443 58.6562 28.6396 178.8925 77 K 3.8699 7.9945 119.5776 59.6340 32.0883 179.1782 78 C 4.1002 8.0895 117.1480 62.8324 28.0463 175.9851 79 Q 3.7706 7.8430 121.7946 58.9259 28.6565 178.1302 80 E 4.0021 7.8654 118.2907 59.1947 29.5747 179.3351 81 I 3.5920 7.3874 120.9073 64.1309 37.1997 178.3695 82 I 3.0977 7.9226 120.9471 64.4274 36.9725 178.2597 83 D 4.3544 8.4692 119.8943 57.0921 40.4981 178.9708 84 K 3.8701 7.7775 119.7906 59.1900 32.1765 178.3027 85 E 3.7023 7.8851 119.6556 59.4700 29.2257 178.7618 86 F 4.7749 7.5392 115.8858 59.9260 39.4143 177.6471 87 G 3.7819 8.2309 106.6912 47.5600 0.0000 173.2092 88 I 4.3896 7.4304 117.3591 63.2270 39.7409 177.8408 89 T 3.8954 8.2736 116.5722 65.9684 68.5913 175.5526 90 L 4.8031 8.3726 120.2382 54.2130 42.7959 178.2635 91 K 4.0287 8.0873 122.8378 59.8674 32.2949 178.9561 92 E 3.9436 8.4329 118.7280 60.0266 29.5538 179.2274 93 K 4.1363 8.1055 118.4060 57.1238 32.0842 179.3371 94 L 4.7370 8.2284 117.4563 55.4049 42.1988 178.7001 95 K 4.0088 7.7657 117.8757 59.3183 32.3894 178.4633 96 K 3.9204 7.8531 117.7133 58.6996 32.6960 176.6461 97 F 5.0113 7.9853 119.2956 56.2014 39.5860 175.0672 98 V 4.2553 8.4111 126.0166 61.0465 32.9316 174.3694 99 F 4.7343 7.5072 119.6778 56.1191 39.9236 172.8808 100 K 4.5898 8.8297 121.6016 54.9083 34.2027 175.2934 101 I 4.9860 8.2375 124.8498 59.8876 40.3337 174.7062 102 H 4.9889 9.2188 122.2208 54.3345 31.8208 172.5841 103 N 5.2702 8.9948 120.5146 52.2252 41.2014 175.3277 104 N 4.8785 9.0951 118.2905 52.2990 41.6076 173.2513 105 R 4.8990 8.6304 121.8363 53.4740 33.3039 175.6200 106 G 3.6612 6.6776 109.7281 45.8111 0.0000 172.2239 107 V 4.3380 7.8964 113.2784 60.9912 32.4267 176.7346 108 V 3.7743 8.5704 124.8623 62.6497 31.9496 176.1317 109 V 3.9574 8.4379 127.0169 64.7853 32.1090 175.8971 110 S 4.6826 7.5637 111.1647 56.6889 65.2981 172.3869 111 E 4.6681 8.6191 126.1205 54.3601 32.3730 174.0375 112 F 4.8942 8.8535 127.4886 56.3057 41.8216 174.3039 113 I 4.2589 6.9425 127.3417 59.3182 40.7609 175.2767 114 R 3.8241 8.2293 120.3334 56.2947 29.5659 176.2304 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 7 T 8.17 4.54 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 8 A 8.84 4.70 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.44 5.19 0.00 3.20 2.99 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 0.00 0.00 0.00 10 L 7.98 5.35 0.00 1.71 1.30 0.92 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 N 9.62 5.10 0.00 3.03 3.00 0.00 0.00 6.72 8.41 0.00 0.00 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 S 8.94 4.74 0.00 3.90 3.78 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 13 L 8.08 4.88 0.00 1.84 1.61 1.13 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.34 5.73 0.00 3.12 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 *16 D 8.55 4.94 0.00 2.66 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 17 F 9.42 5.25 0.00 2.89 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 18 T 8.82 4.34 4.30 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 1.28 0.00 0.00 19 S 7.60 4.49 0.00 3.85 3.71 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 20 E 8.42 3.97 0.00 2.07 1.88 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 2.37 2.44 0.00 21 N 8.15 4.38 0.00 2.77 2.86 0.00 0.00 7.29 7.66 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 22 E 7.97 4.12 0.00 1.97 1.96 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 2.24 2.18 0.00 23 L 7.40 2.52 0.00 1.37 1.66 1.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.21 3.93 0.00 2.13 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 2.53 2.46 0.00 25 L 8.07 3.99 0.00 1.75 2.03 1.00 0.76 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 26 F 8.16 3.71 0.00 2.55 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 27 L 7.82 3.98 0.00 1.91 1.70 0.93 0.75 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 28 K 8.16 4.22 0.00 1.86 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.63 7.81 29 S 7.74 4.66 0.00 3.81 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 30 L 7.39 3.80 0.00 1.63 1.80 0.90 0.90 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 31 D 8.08 4.31 0.00 2.70 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 32 E 8.20 4.13 0.00 2.15 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 2.32 0.00 33 V 7.43 3.98 1.89 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 0.19 0.00 0.00 0.78 0.00 0.00 34 W 8.43 4.36 0.00 3.49 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 35 S 7.66 4.66 0.00 4.09 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 36 E 8.70 4.18 0.00 2.16 2.06 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 2.45 2.44 0.00 37 D 8.05 4.31 0.00 2.85 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 38 L 8.00 3.86 0.00 1.64 1.69 0.61 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 7.97 4.52 0.00 3.19 2.99 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 0.00 0.00 0.00 40 S 8.00 4.20 0.00 4.02 4.05 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 0.00 0.00 0.00 0.00 41 R 7.97 3.94 0.00 2.08 1.95 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 42 L 8.43 4.08 0.00 1.87 1.93 1.17 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.88 4.44 0.00 4.05 4.12 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 0.00 0.00 0.00 44 A 7.85 4.06 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 45 A 8.02 4.26 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 46 G 7.54 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 0.00 0.00 0.00 47 L 8.51 4.46 0.00 2.09 1.73 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.81 4.29 1.96 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 1.27 0.78 0.91 0.00 0.00 49 R 7.51 4.67 0.00 1.63 1.65 0.00 3.04 0.00 0.00 3.44 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 50 H 8.40 4.94 0.00 2.96 3.01 0.00 5.69 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 51 V 8.26 4.16 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 0.72 0.00 0.00 0.79 0.00 0.00 52 I 8.09 4.50 1.70 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.13 0.88 0.00 0.00 53 S 8.96 4.75 0.00 3.72 3.70 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 54 K 8.56 4.63 0.00 1.80 1.79 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 55 V 8.37 3.96 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 0.85 0.00 0.00 1.09 0.00 0.00 56 W 8.93 4.41 0.00 3.42 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 57 N 7.57 4.15 0.00 2.62 2.51 0.00 0.00 7.25 6.72 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 58 K 8.45 3.88 0.00 1.82 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.03 7.81 59 E 8.55 4.38 0.00 1.92 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 2.24 2.19 0.00 60 Q 7.41 4.60 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 7.18 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 61 H 8.39 5.01 0.00 3.39 3.25 0.00 5.56 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.01 5.08 0.00 1.99 1.76 0.00 3.10 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.85 0.00 63 I 8.56 4.96 1.95 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 1.28 1.09 0.98 0.00 0.00 64 S 8.74 5.32 0.00 4.17 3.83 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 0.00 0.00 0.00 0.00 *66 V 8.04 4.21 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.84 0.00 0.00 67 F 9.26 5.15 0.00 3.14 2.55 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 68 E 8.79 5.15 0.00 1.82 1.80 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 2.20 2.19 0.00 69 Y 9.09 5.49 0.00 3.19 2.98 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 70 D 9.39 4.71 0.00 2.79 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 71 S 7.84 4.56 0.00 3.98 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 72 K 8.37 2.78 0.00 1.56 1.68 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.23 0.87 7.81 73 E 8.07 4.00 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 74 G 8.07 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 0.00 0.00 0.00 75 Y 7.49 2.61 0.00 2.06 2.31 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 76 Q 7.75 3.49 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 77 K 7.99 3.87 0.00 1.84 1.80 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.41 7.81 78 C 8.09 4.10 0.00 3.09 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 79 Q 7.84 3.77 0.00 1.32 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.11 2.38 0.00 80 E 7.87 4.00 0.00 2.18 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 0.00 2.33 2.25 0.00 81 I 7.39 3.59 1.91 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 1.45 0.58 0.78 0.00 0.00 82 I 7.92 3.10 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 0.86 0.00 0.00 83 D 8.47 4.35 0.00 2.66 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 84 K 7.78 3.87 0.00 1.77 1.81 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.38 7.81 85 E 7.89 3.70 0.00 1.76 1.12 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 1.61 2.10 0.00 86 F 7.54 4.77 0.00 3.07 2.95 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 87 G 8.23 3.78 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 0.00 0.00 0.00 88 I 7.43 4.39 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.03 0.90 0.00 0.00 89 T 8.27 3.90 4.38 0.00 0.00 0.00 0.00 0.00 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 90 L 8.37 4.80 0.00 2.00 1.72 0.95 0.82 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 91 K 8.09 4.03 0.00 1.92 1.84 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 92 E 8.43 3.94 0.00 2.01 2.00 0.00 0.00 0.00 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 2.26 0.00 93 K 8.11 4.14 0.00 1.77 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.04 7.81 94 L 8.23 4.74 0.00 1.89 1.97 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.77 4.01 0.00 1.84 2.11 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.36 7.81 96 K 7.85 3.92 0.00 1.61 1.80 0.00 1.02 0.00 0.00 1.45 0.00 0.00 2.70 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.12 0.21 7.81 97 F 7.99 5.01 0.00 3.54 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.41 4.26 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 0.82 0.00 0.00 0.97 0.00 0.00 99 F 7.51 4.73 0.00 2.34 1.88 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 0.00 100 K 8.83 4.59 0.00 1.72 1.68 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.32 7.81 101 I 8.24 4.99 1.95 0.00 0.00 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 1.54 1.07 1.02 0.00 0.00 102 H 9.22 4.99 0.00 3.31 3.30 0.00 5.59 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.99 5.27 0.00 2.67 2.94 0.00 0.00 6.94 8.00 0.00 0.00 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 N 9.10 4.88 0.00 2.84 2.73 0.00 0.00 7.07 6.95 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 0.00 105 R 8.63 4.90 0.00 1.82 1.63 0.00 3.44 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.00 106 G 6.68 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 0.00 0.00 0.00 107 V 7.90 4.34 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 0.82 0.00 0.00 0.93 0.00 0.00 108 V 8.57 3.77 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 0.98 0.00 0.00 109 V 8.44 3.96 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 0.84 0.00 0.00 0.92 0.00 0.00 110 S 7.56 4.68 0.00 3.83 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 0.00 111 E 8.62 4.67 0.00 1.92 1.76 0.00 0.00 0.00 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 2.29 0.00 112 F 8.85 4.89 0.00 2.98 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 0.00 113 I 6.94 4.26 1.64 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 1.36 0.64 0.77 0.00 0.00 114 R 8.23 3.82 0.00 1.95 1.98 0.00 3.10 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.