NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2899 0.0000 0.0000 62.5652 32.3063 175.1723 3 R 4.1862 8.5556 124.1665 54.0767 31.2810 175.1371 4 A 4.4554 8.1082 132.2002 49.7270 18.4487 175.7068 5 K 4.0288 7.7565 121.1387 56.4005 33.5804 178.2423 6 T 3.8124 8.5455 116.4545 67.0411 67.7989 174.3577 7 G 4.0337 8.6530 111.2002 45.2461 0.0000 173.7046 8 V 4.4680 7.3571 114.4135 62.0408 37.6335 177.3334 9 V 3.4887 7.8821 119.1200 65.9166 31.4141 177.7276 10 R 3.9013 7.8706 117.7275 59.1794 30.2652 178.1550 11 R 3.9890 7.9513 117.9110 59.2941 29.8089 178.5922 12 R 3.8891 8.0893 118.0674 59.2319 28.7883 178.9033 13 K 3.8449 7.8401 117.7264 59.5828 31.9931 178.9048 14 H 4.4036 7.8871 116.3782 58.3136 29.0950 177.3304 15 K 4.2239 8.0385 118.6479 58.0885 32.3448 178.7246 16 K 3.9007 7.7727 122.3683 59.8649 32.2285 178.7639 17 I 3.7454 7.2224 118.1100 64.3529 36.8700 178.1438 18 L 3.9417 7.7087 118.5906 57.9270 41.5826 179.7071 19 K 4.0670 8.0064 118.0821 59.3726 31.9231 179.1643 20 L 4.0454 7.7564 118.3165 56.6102 42.1307 176.6121 21 A 4.0850 7.5050 121.4595 51.6492 19.4716 176.2751 22 K 4.1072 7.3140 119.1174 57.8147 33.2072 177.9013 23 G 3.9979 8.6487 109.1016 45.7655 0.0000 173.3811 24 Y 4.8257 7.4258 116.2337 57.1010 40.3537 176.9453 25 W 4.9258 9.3966 131.6141 59.1428 30.7536 176.7147 26 G 3.0723 9.6101 108.0895 46.3645 0.0000 174.7985 27 L 4.3524 8.7046 123.4657 55.1994 43.1488 178.9281 28 R 4.1096 7.9857 118.9068 58.1843 30.1935 177.6955 29 S 4.8425 7.7866 109.6106 57.6344 63.7875 174.5019 30 K 4.3125 7.8029 119.1775 56.7448 34.4869 175.9387 31 S 4.3165 8.1505 117.0313 57.5877 62.1169 175.1283 *32 F 4.1818 8.6225 125.0105 57.9122 37.9972 172.1178 33 R 4.7509 8.9435 116.3474 56.6562 33.6186 177.7540 34 K 3.9098 9.3987 118.6880 59.2735 32.1652 178.5733 35 A 4.8033 7.9629 121.8556 54.7806 17.9058 179.1812 36 R 3.5841 7.9478 116.0120 59.9089 29.9850 178.2522 37 E 3.3643 7.7142 117.7776 59.4612 29.3264 179.5090 38 T 3.8211 7.9978 116.1273 66.3923 68.4978 176.9315 39 L 4.1349 7.7601 120.5177 57.7565 41.5649 179.3838 40 F 4.4849 7.6591 116.5978 60.2535 38.5425 177.5297 41 A 3.6206 7.2639 119.0106 55.1742 18.4339 179.0394 42 A 4.0997 8.2951 119.5410 55.3177 17.9742 179.7010 43 G 3.8766 8.3866 103.2749 48.3717 0.0000 175.1161 44 N 4.4841 8.0243 118.6117 57.1920 38.8784 175.7390 45 Y 4.4535 8.5085 119.1294 59.4992 37.7831 177.9394 46 A 3.9515 8.0119 121.1461 55.7865 19.1193 179.0898 47 Y 4.0142 7.9531 116.6667 60.8572 38.7851 177.7403 48 A 3.9962 7.8362 118.9776 54.3364 18.9478 178.5215 49 H 4.4498 8.8444 114.9203 57.7973 28.9243 177.9429 50 R 3.9775 7.8057 120.5543 59.0177 29.7582 178.8440 51 K 3.9443 7.2661 115.5080 58.3686 32.1764 179.2538 52 R 4.0394 7.3018 118.4760 58.9248 30.2116 178.4218 53 R 3.5898 8.0182 117.3022 60.2737 30.0985 177.2058 54 K 3.7925 8.3131 117.2635 59.6498 31.9908 178.4024 55 R 3.8648 7.8430 118.8045 59.3346 29.9135 178.4861 56 D 4.2788 8.0947 119.4657 56.1373 40.6849 177.7655 57 F 4.3629 7.5810 118.0217 58.9666 39.7405 177.9537 58 R 3.8147 7.5146 115.8522 58.4609 30.0803 177.9832 59 R 4.2592 7.0354 116.0294 58.0297 30.7759 177.9677 60 L 3.9418 7.0988 118.6392 58.9967 41.9774 178.0770 61 W 4.6466 8.4550 119.4482 57.9532 28.9433 178.6133 62 I 3.5525 7.6915 120.6232 64.8146 37.0495 177.6187 63 V 3.6365 8.0639 119.8508 65.2753 31.2248 177.9824 64 R 4.0519 7.8100 118.6360 60.3230 30.2914 177.9375 65 I 4.0619 8.0185 120.1013 62.7621 36.8659 177.0830 66 N 4.4842 8.3953 122.8770 55.8023 39.7792 175.1824 67 A 4.8623 8.1419 122.9176 50.7652 19.7254 175.4255 68 A 4.8277 7.8164 124.5536 53.9801 26.3000 178.2075 69 C 4.7956 8.9625 109.6044 58.6098 30.2772 174.9161 70 R 5.1516 7.8440 120.2052 57.1967 30.2111 177.5844 71 Q 4.2705 7.8168 115.0492 58.1457 28.8948 176.1345 72 H 4.9104 7.6026 114.1989 55.3439 28.8168 174.6174 73 G 3.8455 7.3234 111.2261 45.1493 0.0000 175.0968 74 L 4.0093 7.5809 117.2897 55.3404 41.4363 176.4304 75 N 5.3001 8.2884 116.7716 51.0518 41.0786 175.1471 76 Y 4.0393 10.0233 122.0735 61.1000 38.6278 177.9542 77 S 4.2307 8.5138 114.6328 62.5706 62.5043 175.7107 78 T 4.1864 8.2715 118.7074 65.0646 68.2669 177.1110 79 F 3.8158 8.8278 122.5254 61.4159 39.8668 178.3220 80 I 3.6867 7.6901 119.5500 64.5626 36.9755 177.8710 81 H 4.2940 7.7696 118.7281 58.9288 29.5118 177.6969 82 G 3.4371 8.3534 108.0497 47.7251 0.0000 175.7769 83 L 4.0061 7.6551 121.9921 57.1317 41.3918 179.6850 84 K 3.8715 7.9962 118.5104 59.4834 32.3589 178.2819 85 K 3.9325 7.8837 118.3113 60.1821 32.0373 177.6964 86 A 4.0775 8.3703 120.5787 53.2618 18.1952 176.3654 87 G 3.1939 7.4311 108.2772 44.8081 0.0000 174.1292 88 I 4.3258 7.4465 117.4765 58.7977 36.7929 174.8280 89 E 4.4685 8.2120 127.4776 57.3370 30.4883 178.8050 90 V 3.8841 7.2716 123.1183 64.0920 33.0527 174.8131 91 D 4.5238 9.2518 119.4689 56.0336 40.6992 176.5610 92 R 3.6322 8.5462 114.5941 56.7271 28.1099 178.9950 93 K 4.0014 8.3416 122.3370 58.2080 31.4102 177.6367 94 N 2.0000 9.6742 114.9730 55.3632 38.9805 175.3624 95 L 4.9475 8.6208 116.1266 54.1712 41.5039 176.6907 96 A 4.6992 7.5991 122.3628 51.6571 18.9819 179.1774 97 D 4.4200 7.6905 120.3507 56.1495 39.5607 177.5722 98 L 3.9501 7.8544 122.2490 57.4845 41.5156 178.9904 99 A 3.3638 7.3704 119.9478 54.8270 17.9896 179.4904 100 V 3.6234 7.0820 115.6571 64.4244 31.9502 176.0686 101 R 4.5069 7.8230 118.2361 55.4534 31.2373 175.1597 102 E 4.3188 8.9629 115.8114 55.2839 27.9991 173.3199 103 P 4.5735 0.0000 0.0000 66.7514 31.7714 178.2455 104 Q 4.0330 8.3184 117.4094 59.0655 28.6640 179.4389 105 V 3.6302 7.3932 119.1902 65.9347 31.5890 177.6432 106 F 4.1622 8.3220 119.5422 61.5485 39.2929 176.4155 107 A 4.1919 8.6209 120.6079 55.7424 18.0857 179.5228 108 E 3.9005 8.3097 116.6875 59.2550 29.4263 179.6367 109 L 3.7832 7.6591 118.7444 57.7232 41.6647 179.2749 110 V 2.6198 7.5122 118.5327 66.6831 30.7898 177.2019 111 E 3.8676 8.2490 117.9963 58.7084 28.9358 179.4284 112 R 3.9890 8.6664 120.3934 60.2924 30.6252 177.9914 113 A 3.9795 8.6430 121.7759 54.2098 18.1864 179.4268 114 K 3.7611 8.6035 116.4173 59.4759 32.5981 179.4185 115 A 4.0107 8.9283 121.8128 54.8046 18.3125 178.7089 116 A 4.2761 7.7807 115.9004 52.3849 19.5522 177.9580 117 Q 4.5019 8.0287 116.6131 54.7957 29.2902 175.8198 118 G 3.7374 7.8795 109.8506 45.8560 0.0000 171.9522 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 P 0.00 4.29 0.00 2.19 2.15 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 R 8.56 4.19 0.00 1.85 1.86 0.00 3.22 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 4 A 8.11 4.46 1.25 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 0.00 0.00 5 K 7.76 4.03 0.00 1.87 1.85 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.48 7.81 6 T 8.55 3.81 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 7 G 8.65 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 0.00 0.00 0.00 8 V 7.36 4.47 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 0.92 0.00 0.00 0.93 0.00 0.00 9 V 7.88 3.49 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 0.96 0.00 0.00 0.96 0.00 0.00 10 R 7.87 3.90 0.00 1.90 1.89 0.00 3.27 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 11 R 7.95 3.99 0.00 1.93 1.92 0.00 3.23 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 12 R 8.09 3.89 0.00 1.91 1.95 0.00 3.20 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 13 K 7.84 3.84 0.00 1.71 1.85 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.68 7.81 14 H 7.89 4.40 0.00 3.46 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.04 4.22 0.00 1.95 2.06 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.59 7.81 16 K 7.77 3.90 0.00 1.90 2.04 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.48 7.81 17 I 7.22 3.75 1.89 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 1.75 0.77 0.91 0.00 0.00 18 L 7.71 3.94 0.00 1.75 1.71 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.01 4.07 0.00 1.96 1.82 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.69 7.81 20 L 7.76 4.05 0.00 1.85 1.81 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.50 4.09 1.09 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 0.00 0.00 22 K 7.31 4.11 0.00 1.61 1.66 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.46 7.81 23 G 8.65 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.43 4.83 0.00 2.95 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 25 W 9.40 4.93 0.00 3.26 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 9.61 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 0.00 0.00 0.00 27 L 8.70 4.35 0.00 1.72 1.68 0.90 0.81 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 28 R 7.99 4.11 0.00 2.05 2.13 0.00 3.28 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 29 S 7.79 4.84 0.00 3.87 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.80 4.31 0.00 1.67 1.80 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.24 7.81 31 S 8.15 4.32 0.00 3.83 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 *32 F 8.62 4.18 0.00 2.34 2.19 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 33 R 8.94 4.75 0.00 1.83 2.12 0.00 2.74 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 34 K 9.40 3.91 0.00 1.93 1.90 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.59 7.81 35 A 7.96 4.80 1.42 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 0.00 0.00 0.00 36 R 7.95 3.58 0.00 1.82 2.02 0.00 3.30 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 37 E 7.71 3.36 0.00 2.11 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 2.17 2.56 0.00 38 T 8.00 3.82 4.41 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 0.84 0.00 0.00 39 L 7.76 4.13 0.00 1.82 1.82 0.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.66 4.48 0.00 3.14 2.93 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 0.00 0.00 0.00 41 A 7.26 3.62 1.16 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 42 A 8.30 4.10 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 43 G 8.39 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 44 N 8.02 4.48 0.00 2.93 2.73 0.00 0.00 7.21 8.89 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 45 Y 8.51 4.45 0.00 3.16 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 46 A 8.01 3.95 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 47 Y 7.95 4.01 0.00 3.15 3.24 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 48 A 7.84 4.00 1.48 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 49 H 8.84 4.45 0.00 3.32 3.32 0.00 5.81 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 50 R 7.81 3.98 0.00 1.88 1.93 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 51 K 7.27 3.94 0.00 1.80 1.75 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.16 1.17 7.81 52 R 7.30 4.04 0.00 1.91 1.96 0.00 3.19 0.00 0.00 2.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 53 R 8.02 3.59 0.00 1.77 1.95 0.00 3.36 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.47 0.00 54 K 8.31 3.79 0.00 1.89 1.69 0.00 1.78 0.00 0.00 1.91 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.44 7.81 55 R 7.84 3.86 0.00 1.94 2.13 0.00 2.90 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 56 D 8.09 4.28 0.00 2.39 2.29 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 57 F 7.58 4.36 0.00 2.82 1.45 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 0.00 58 R 7.51 3.81 0.00 1.68 2.03 0.00 3.15 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 59 R 7.04 4.26 0.00 1.87 1.83 0.00 3.04 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 60 L 7.10 3.94 0.00 1.86 1.62 1.07 1.11 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 61 W 8.45 4.65 0.00 3.52 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 62 I 7.69 3.55 1.82 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.25 0.02 0.00 0.00 63 V 8.06 3.64 2.22 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 1.05 0.00 0.00 0.88 0.00 0.00 64 R 7.81 4.05 0.00 1.99 2.02 0.00 3.33 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 65 I 8.02 4.06 2.18 0.00 0.00 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 1.52 0.88 0.92 0.00 0.00 66 N 8.40 4.48 0.00 2.87 2.96 0.00 0.00 7.14 7.26 0.00 0.00 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 A 8.14 4.86 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 68 A 7.82 4.83 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 69 C 8.96 4.80 0.00 3.51 3.92 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 70 R 7.84 5.15 0.00 2.27 2.02 0.00 3.27 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 71 Q 7.82 4.27 0.00 2.48 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.20 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 72 H 7.60 4.91 0.00 3.17 3.24 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.32 3.85 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 0.00 0.00 0.00 74 L 7.58 4.01 0.00 1.90 1.86 1.04 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.29 5.30 0.00 3.11 3.06 0.00 0.00 5.57 7.57 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 76 Y 10.02 4.04 0.00 3.15 3.10 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 77 S 8.51 4.23 0.00 4.15 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 0.00 78 T 8.27 4.19 4.63 0.00 0.00 0.00 0.00 0.00 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 79 F 8.83 3.82 0.00 3.14 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 80 I 7.69 3.69 1.39 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.08 0.83 0.00 0.00 81 H 7.77 4.29 0.00 3.38 3.42 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.35 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.66 4.01 0.00 1.89 1.89 1.10 1.44 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 84 K 8.00 3.87 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.50 7.81 85 K 7.88 3.93 0.00 1.70 1.72 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.43 7.81 86 A 8.37 4.08 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 87 G 7.43 3.19 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 88 I 7.45 4.33 1.86 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 1.61 0.70 0.89 0.00 0.00 89 E 8.21 4.47 0.00 2.10 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 2.26 2.29 0.00 90 V 7.27 3.88 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 0.73 0.00 0.00 0.92 0.00 0.00 91 D 9.25 4.52 0.00 2.92 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 92 R 8.55 3.63 0.00 1.92 1.90 0.00 3.32 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 93 K 8.34 4.00 0.00 2.20 2.19 0.00 1.66 0.00 0.00 1.92 0.00 0.00 3.31 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.67 1.59 7.81 94 N 9.67 2.00 0.00 1.44 2.18 0.00 0.00 7.22 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 95 L 8.62 4.95 0.00 1.70 1.55 0.83 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.60 4.70 1.59 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 97 D 7.69 4.42 0.00 2.83 2.88 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 98 L 7.85 3.95 0.00 1.93 1.88 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.37 3.36 -0.61 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 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.08 3.62 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 0.83 0.00 0.00 0.84 0.00 0.00 101 R 7.82 4.51 0.00 1.83 1.77 0.00 3.30 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 102 E 8.96 4.32 0.00 2.32 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 0.00 2.27 2.24 0.00 103 P 0.00 4.57 0.00 2.33 2.33 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 104 Q 8.32 4.03 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 105 V 7.39 3.63 2.28 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 1.04 0.00 0.00 0.99 0.00 0.00 106 F 8.32 4.16 0.00 3.16 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 0.00 107 A 8.62 4.19 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.31 3.90 0.00 2.22 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 2.32 2.53 0.00 109 L 7.66 3.78 0.00 1.66 1.61 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.51 2.62 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 0.92 0.00 0.00 0.58 0.00 0.00 111 E 8.25 3.87 0.00 2.09 1.81 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 0.00 2.49 2.43 0.00 112 R 8.67 3.99 0.00 1.77 1.95 0.00 3.29 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 113 A 8.64 3.98 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 0.00 114 K 8.60 3.76 0.00 1.91 2.00 0.00 1.22 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.69 1.38 7.81 115 A 8.93 4.01 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 0.00 116 A 7.78 4.28 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 0.00 117 Q 8.03 4.50 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 118 G 7.88 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.