NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.0345 8.0932 114.8241 58.0259 64.5709 173.8741 2 L 3.9355 8.1264 119.2752 57.2841 41.0402 179.1793 3 F 3.9330 9.0870 119.2940 60.4888 39.3774 177.1000 4 E 4.0100 8.1027 117.6081 59.3425 29.2485 178.5018 5 L 4.1089 7.9770 120.3468 58.5478 42.1081 179.1884 6 G 3.6470 8.2041 105.1334 47.9393 0.0000 175.3803 7 K 3.9368 8.1802 122.0998 59.2427 32.1831 178.8763 8 M 3.7589 8.2931 119.5179 58.2847 31.8191 178.6730 9 I 3.5065 7.8120 120.1926 64.2131 37.1483 178.2401 10 L 4.1234 7.6118 122.3358 57.7705 41.6949 179.1111 11 Q 3.7453 7.6167 116.9183 58.6653 28.5017 178.3138 12 E 4.2393 8.3030 119.2030 59.4332 29.9122 178.7354 13 T 4.2297 8.3996 109.3869 63.1399 69.2723 176.4869 *15 G 4.1913 7.7367 107.4474 44.5634 0.0000 172.5993 16 K 4.3264 7.5713 119.8229 54.7382 33.8307 175.4648 17 N 4.3793 8.3719 119.0865 52.9551 39.6199 173.2888 18 P 4.3700 0.0000 0.0000 66.0375 31.5676 178.2599 19 A 3.9825 7.9307 118.5404 55.1764 18.1545 179.4356 20 K 3.8600 7.9722 116.4073 59.3679 32.5018 178.3042 21 S 5.0907 7.8757 114.2590 58.3742 63.4559 174.3348 22 Y 4.8565 8.0783 115.9798 57.1151 40.1867 176.6239 23 G 3.5927 8.5800 110.6297 47.8473 0.0000 173.3244 24 A 4.1504 7.5206 125.0104 49.8059 19.8274 173.4383 25 Y 4.9911 9.0677 121.9187 58.2200 43.3454 174.9839 26 G 3.8637 7.6484 116.5907 47.2721 0.0000 174.9328 27 C 4.9373 10.3146 121.5700 56.3510 41.6532 173.8699 28 N 4.7895 9.1075 114.8176 52.9557 40.5486 173.8307 29 C 4.6046 8.6959 116.7327 58.1915 39.7407 173.5760 30 G 4.5598 7.6833 113.1026 44.8384 0.0000 172.0521 31 V 4.3708 8.0662 116.3067 61.4037 31.7718 176.0964 32 L 4.5500 8.0891 117.9417 54.4193 41.9248 178.0536 33 G 3.7508 8.0689 109.0147 44.7092 0.0000 173.1798 34 R 4.6266 7.9221 115.5536 55.1240 31.8788 174.9959 35 G 3.9668 8.8445 106.0297 45.2063 0.0000 173.1164 36 K 4.1530 8.6069 122.1898 55.6567 32.4462 174.9515 37 P 4.2714 0.0000 0.0000 63.2960 31.8028 176.5294 38 K 3.8982 8.9959 122.9905 59.0402 32.3179 176.8549 39 D 4.4030 7.4549 115.8601 51.2288 42.7767 175.7045 40 A 3.9902 8.5711 120.9413 56.0125 17.4549 179.9901 41 T 3.8764 7.9697 113.5108 66.7361 68.6420 176.3007 42 D 4.4741 8.8921 120.4794 57.4542 41.2612 178.2247 43 R 3.9127 8.4050 119.5986 59.4486 29.9683 177.7749 44 C 4.2536 7.9634 116.5473 60.4334 39.3811 175.5769 45 C 4.1948 7.9208 116.9557 59.8530 36.3470 175.3925 46 Y 4.0377 8.0602 121.3060 60.9702 38.3706 178.5442 47 V 3.7674 8.2970 119.0568 66.1323 31.5477 177.4758 48 H 4.0257 8.2181 118.1084 59.2519 29.7408 177.5101 49 K 3.6868 8.1475 120.5238 59.4351 31.5517 178.8039 50 C 4.2718 7.6899 116.2812 59.8350 40.1464 174.8508 51 C 4.3270 8.1747 119.9947 59.7098 41.7001 175.0969 52 Y 4.4088 7.9268 118.3489 61.1052 37.3004 178.1621 53 K 3.8183 7.8031 118.3046 59.3419 32.3726 178.2254 *57 K 4.3130 7.8352 114.5811 56.3158 34.4428 176.1264 58 L 4.1420 8.1695 120.0108 54.9832 42.0025 176.8449 59 T 4.3720 8.2940 110.4297 62.9088 70.7421 172.5126 60 G 4.3570 9.3122 119.8888 45.8014 0.0000 172.1646 61 C 5.0203 7.7038 114.5307 53.4624 43.3413 172.2287 *67 D 4.6726 8.6360 119.9776 53.4077 41.1363 174.2884 68 P 3.9800 0.0000 0.0000 64.9963 31.6176 178.5345 69 K 4.0567 8.4281 120.7503 58.1111 32.3828 178.1612 70 K 4.4367 7.9263 115.3866 56.7225 34.5474 176.3251 71 D 4.3943 8.3220 120.1434 54.7066 41.0294 175.5393 72 R 4.8657 8.7122 122.9627 54.0817 31.6912 175.0499 73 Y 4.9915 7.8989 117.8433 55.4275 41.5323 173.8886 74 S 5.2148 8.5490 115.4183 57.3962 65.8123 173.2458 75 Y 5.2931 8.0922 117.7199 56.5465 40.3140 173.4081 76 S 4.7321 9.6361 116.9724 56.3833 65.5023 173.9478 77 W 5.4188 8.4612 132.4259 56.8740 30.8289 174.9389 78 K 3.9521 7.8315 118.3559 57.7575 31.8523 176.4256 79 D 4.0007 8.7939 123.6327 55.3601 38.5426 173.6193 80 K 2.0000 6.8455 114.0219 56.3039 30.1538 175.4196 81 T 4.6747 6.5103 105.2807 59.9760 72.2228 174.4239 82 I 4.5885 8.8624 126.0186 61.4021 38.0834 175.4899 83 V 4.3337 9.2926 128.7080 60.9846 33.0749 174.1126 84 C 4.7751 8.9462 126.4522 56.8636 40.4609 174.4656 85 G 3.8566 8.9842 111.7302 46.3012 0.0000 172.9640 86 E 4.1203 9.2254 121.5744 59.0986 30.5049 178.6903 87 N 3.8741 8.0207 116.4860 54.3725 37.3365 173.3547 88 N 4.9440 8.1201 121.6074 51.8298 40.9637 173.4880 *90 P 4.3541 0.0000 0.0000 62.9023 33.3876 179.6367 91 C 4.1727 8.1526 116.6914 59.8678 41.3217 175.3136 92 L 3.7835 9.1517 121.3699 57.7975 41.1795 179.6176 93 K 3.8445 8.7640 119.9831 59.4817 32.1734 178.5490 94 E 3.8725 8.4583 119.9948 58.8653 29.5006 178.5516 95 L 3.8697 8.3972 121.3089 58.2166 42.2188 178.0175 96 C 3.3820 7.7311 120.0465 58.9175 41.4845 175.4508 97 E 3.9414 8.2305 120.1103 59.3677 28.9424 178.7270 98 C 4.3134 8.1349 116.6610 60.2410 40.2764 175.9646 99 D 4.2623 8.1985 120.4083 57.0415 40.3889 178.5957 100 K 3.7403 8.4962 120.3008 59.5538 32.1995 178.4344 101 A 3.9690 8.3073 121.5533 55.3291 18.2707 180.0108 102 V 3.4851 7.6782 117.2612 64.4749 31.4893 178.4593 103 A 3.7216 8.0665 121.6869 54.9281 18.2329 179.5592 104 I 3.7464 7.7615 118.2029 64.7231 37.3702 177.6453 105 C 4.1238 8.1606 119.1268 59.7439 43.1805 175.4134 106 L 3.8326 7.8920 119.3769 57.8721 41.4150 179.1717 107 R 4.0070 8.0228 118.3715 59.7745 29.8670 178.3168 108 E 4.0052 8.5368 116.9004 58.7089 29.6623 178.2285 109 N 4.9344 7.6557 114.3806 53.0107 39.0718 176.4011 110 L 4.2607 8.2032 124.0795 57.8139 41.3680 179.5643 111 G 3.7331 8.2623 107.1759 48.1657 0.0000 174.0316 112 T 4.4831 7.7394 107.0339 60.8709 69.4846 173.9601 113 Y 4.0267 7.8914 124.7063 58.4673 39.2390 174.6278 114 N 5.0365 9.4028 125.4281 51.4084 40.4356 174.6027 115 K 4.0278 8.8349 126.6548 59.4987 32.3125 179.4245 116 K 3.8243 7.9453 116.9929 58.7646 32.0114 177.1507 117 Y 4.3181 7.6541 116.1614 57.8699 38.1133 175.6665 118 R 4.4281 7.6517 120.5546 56.1145 30.7514 175.2874 119 Y 4.8013 7.5641 118.5027 55.7175 41.3389 175.0120 120 H 4.6159 8.1973 115.6933 57.1839 29.4782 175.2477 121 L 4.8837 7.5160 119.6936 52.1178 42.8083 175.9922 122 K 2.0000 8.3472 122.8603 55.3833 32.4138 174.4995 123 P 4.1439 0.0000 0.0000 62.3282 31.9221 175.6236 *125 F 4.4871 8.3265 123.9970 58.2192 40.2614 174.3880 126 C 4.6882 7.4019 123.0150 54.3374 40.7538 173.6847 127 K 3.9742 7.9961 122.3761 56.3265 33.2403 175.6275 *129 K 4.4219 8.3797 121.9471 56.7899 33.8205 174.6767 130 A 4.8347 8.3480 123.7727 50.0331 21.0009 176.5217 131 D 4.3828 9.0283 121.8478 53.9799 41.3605 174.9592 132 P 4.1164 0.0000 0.0000 63.3181 31.2622 176.7481 133 C 4.3793 9.0160 119.3410 57.5130 41.1130 173.7756 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 8.09 5.03 0.00 4.35 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 0.00 2 L 8.13 3.94 0.00 1.68 1.62 1.02 0.93 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 3 F 9.09 3.93 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 4 E 8.10 4.01 0.00 1.77 1.70 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 1.47 2.19 0.00 5 L 7.98 4.11 0.00 2.07 1.75 0.86 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.20 3.65 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 0.00 0.00 0.00 7 K 8.18 3.94 0.00 1.99 2.00 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.40 7.81 8 M 8.29 3.76 0.00 1.85 2.07 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.00 0.00 9 I 7.81 3.51 1.88 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.29 0.73 0.00 0.00 10 L 7.61 4.12 0.00 1.71 1.74 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.62 3.75 0.00 1.37 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 1.68 2.19 0.00 12 E 8.30 4.24 0.00 1.88 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 2.41 2.42 0.00 13 T 8.40 4.23 4.26 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 0.00 0.00 0.00 1.09 0.00 0.00 *15 G 7.74 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 16 K 7.57 4.33 0.00 1.93 1.61 0.00 1.42 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.43 7.81 17 N 8.37 4.38 0.00 2.80 2.67 0.00 0.00 6.88 7.71 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 18 P 0.00 4.37 0.00 2.18 2.09 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 19 A 7.93 3.98 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 20 K 7.97 3.86 0.00 1.74 1.81 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.51 7.81 21 S 7.88 5.09 0.00 3.13 2.83 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 22 Y 8.08 4.86 0.00 2.94 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 23 G 8.58 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 24 A 7.52 4.15 0.35 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 25 Y 9.07 4.99 0.00 3.02 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 26 G 7.65 3.86 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 0.00 0.00 0.00 27 C 10.31 4.94 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 28 N 9.11 4.79 0.00 3.00 2.83 0.00 0.00 6.97 7.67 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 29 C 8.70 4.60 0.00 3.35 3.46 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 30 G 7.68 4.56 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 31 V 8.07 4.37 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 0.81 0.00 0.00 0.99 0.00 0.00 32 L 8.09 4.55 0.00 1.73 1.69 1.01 1.11 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 33 G 8.07 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 34 R 7.92 4.63 0.00 1.70 1.71 0.00 3.14 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 0.00 35 G 8.84 3.97 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 0.00 0.00 0.00 36 K 8.61 4.15 0.00 1.91 1.69 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.40 1.40 7.81 37 P 0.00 4.27 0.00 1.93 2.02 0.00 3.56 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 1.60 2.01 0.00 38 K 9.00 3.90 0.00 1.13 0.74 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.15 7.81 39 D 7.45 4.40 0.00 2.83 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 40 A 8.57 3.99 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 41 T 7.97 3.88 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 0.91 0.00 0.00 42 D 8.89 4.47 0.00 2.93 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 43 R 8.40 3.91 0.00 1.84 1.87 0.00 3.07 0.00 0.00 3.02 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 44 C 7.96 4.25 0.00 3.11 3.05 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 45 C 7.92 4.19 0.00 3.21 3.31 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 46 Y 8.06 4.04 0.00 3.03 3.04 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 47 V 8.30 3.77 2.27 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 1.05 0.00 0.00 1.10 0.00 0.00 48 H 8.22 4.03 0.00 3.21 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.15 3.69 0.00 1.74 1.68 0.00 1.75 0.00 0.00 1.57 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.30 7.81 50 C 7.69 4.27 0.00 3.08 3.11 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 0.00 0.00 0.00 51 C 8.17 4.33 0.00 3.10 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 52 Y 7.93 4.41 0.00 3.20 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 53 K 7.80 3.82 0.00 1.94 1.91 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.59 7.81 *57 K 7.84 4.31 0.00 1.89 1.99 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.61 7.81 58 L 8.17 4.14 0.00 1.87 1.60 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.29 4.37 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 1.24 0.00 0.00 60 G 9.31 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 0.00 0.00 0.00 0.00 61 C 7.70 5.02 0.00 3.37 3.20 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 0.00 *67 D 8.64 4.67 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.98 0.00 0.73 1.36 0.00 3.61 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 1.81 1.59 0.00 69 K 8.43 4.06 0.00 1.83 1.97 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.45 7.81 70 K 7.93 4.44 0.00 1.76 1.83 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.44 7.81 71 D 8.32 4.39 0.00 2.94 2.67 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 72 R 8.71 4.87 0.00 1.74 1.73 0.00 3.33 0.00 0.00 3.76 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.34 0.00 73 Y 7.90 4.99 0.00 3.33 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 74 S 8.55 5.21 0.00 3.83 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 75 Y 8.09 5.29 0.00 3.15 3.16 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 76 S 9.64 4.73 0.00 3.94 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 77 W 8.46 5.42 0.00 3.39 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 78 K 7.83 3.95 0.00 1.79 1.65 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.39 7.81 79 D 8.79 4.00 0.00 2.72 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 K 6.85 2.00 0.00 1.47 1.28 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.89 0.98 7.81 81 T 6.51 4.67 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 1.11 0.00 0.00 82 I 8.86 4.59 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.86 0.79 0.00 0.00 83 V 9.29 4.33 2.20 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 1.03 0.00 0.00 1.03 0.00 0.00 84 C 8.95 4.78 0.00 3.08 3.02 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 85 G 8.98 3.86 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 0.00 0.00 0.00 86 E 9.23 4.12 0.00 1.96 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 2.32 2.32 0.00 87 N 8.02 3.87 0.00 2.90 2.56 0.00 0.00 6.65 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 88 N 8.12 4.94 0.00 2.89 2.88 0.00 0.00 5.95 7.76 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 *90 P 0.00 4.35 0.00 2.22 2.16 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 2.00 2.07 0.00 91 C 8.15 4.17 0.00 2.97 3.17 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 92 L 9.15 3.78 0.00 1.96 1.74 0.98 -0.18 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 93 K 8.76 3.84 0.00 2.02 1.98 0.00 1.49 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 94 E 8.46 3.87 0.00 2.12 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 0.00 2.30 2.30 0.00 95 L 8.40 3.87 0.00 1.69 1.62 0.70 0.46 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 96 C 7.73 3.38 0.00 1.83 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 97 E 8.23 3.94 0.00 2.12 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 2.54 2.47 0.00 98 C 8.13 4.31 0.00 3.45 3.32 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 99 D 8.20 4.26 0.00 2.95 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 0.00 100 K 8.50 3.74 0.00 1.72 1.98 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.47 7.81 101 A 8.31 3.97 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 0.00 102 V 7.68 3.49 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 0.50 0.00 0.00 0.74 0.00 0.00 103 A 8.07 3.72 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 0.00 104 I 7.76 3.75 1.99 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 1.60 0.77 0.91 0.00 0.00 105 C 8.16 4.12 0.00 3.05 3.20 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 0.00 106 L 7.89 3.83 0.00 1.59 1.29 0.75 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.02 4.01 0.00 1.83 2.13 0.00 3.15 0.00 0.00 3.46 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 108 E 8.54 4.01 0.00 2.06 2.03 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 2.36 2.52 0.00 109 N 7.66 4.93 0.00 2.87 2.85 0.00 0.00 6.83 6.06 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 0.00 110 L 8.20 4.26 0.00 1.78 1.75 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.26 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 0.00 0.00 0.00 112 T 7.74 4.48 4.32 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 1.26 0.00 0.00 113 Y 7.89 4.03 0.00 3.18 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 0.00 114 N 9.40 5.04 0.00 2.82 2.81 0.00 0.00 6.83 7.41 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 0.00 115 K 8.83 4.03 0.00 1.89 1.92 0.00 1.80 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.82 1.75 7.81 116 K 7.95 3.82 0.00 1.50 1.51 0.00 1.52 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.28 7.81 117 Y 7.65 4.32 0.00 1.89 2.27 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 0.00 118 R 7.65 4.43 0.00 1.86 1.82 0.00 3.27 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 119 Y 7.56 4.80 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.20 4.62 0.00 3.37 3.52 0.00 5.47 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.52 4.88 0.00 1.72 1.70 1.03 0.46 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 0.00 122 K 8.35 2.00 0.00 1.08 1.46 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.09 0.87 7.81 123 P 0.00 4.14 0.00 2.01 1.95 0.00 3.20 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 *125 F 8.33 4.49 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.40 4.69 0.00 2.58 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 0.00 127 K 8.00 3.97 0.00 1.77 1.58 0.00 1.65 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.56 7.81 *129 K 8.38 4.42 0.00 1.82 1.86 0.00 1.49 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.54 7.81 130 A 8.35 4.83 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 0.00 131 D 9.03 4.38 0.00 2.80 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 0.00 132 P 0.00 4.12 0.00 2.18 2.14 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 133 C 9.02 4.38 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.