NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7853 8.1476 118.3417 55.4706 33.7724 173.2626 2 I 4.8904 8.7500 111.9571 59.0391 41.8943 172.3673 3 I 5.0323 9.0487 123.6828 59.4892 40.7011 176.1566 4 V 4.9473 9.1266 126.5469 61.2659 34.4189 173.3030 5 Y 5.3526 9.2292 129.5054 56.2767 41.1645 174.2540 6 T 5.1562 8.3945 119.8253 60.0570 71.7017 172.0428 7 T 4.8156 7.8232 113.3994 59.7213 71.9789 172.9917 8 F 4.6588 8.7032 120.7246 54.8444 42.7659 174.6490 9 P 4.2627 0.0000 0.0000 65.3387 31.8366 175.9036 10 D 4.4478 7.2399 117.5275 51.1716 43.5821 176.3410 11 W 3.9296 8.5242 118.9069 59.6539 29.0805 178.1465 12 E 3.9285 8.3546 119.1295 59.5539 29.0620 179.0365 13 S 3.9920 8.7620 114.2870 61.0551 63.1127 176.2793 14 A 2.0000 7.4044 123.9793 54.2840 18.0677 179.4467 15 E 3.8305 8.4088 117.4311 59.2740 29.6697 179.4366 16 K 3.8052 7.7105 119.3967 59.4812 32.2836 178.9615 17 V 3.4979 7.4105 118.1982 66.1821 31.4741 178.4134 18 V 3.6730 7.6050 112.1176 64.3739 31.2935 178.7647 19 K 3.9911 8.1826 118.2797 59.7212 31.7545 179.5808 20 T 3.8790 7.8153 115.7474 66.5737 68.3275 176.8611 21 L 4.0064 7.9970 120.9668 57.5814 41.5777 179.6043 22 L 4.0046 8.1451 119.2262 57.7138 41.3705 179.6246 23 K 4.0349 8.0304 117.5159 59.2767 32.0665 178.4256 24 E 4.2666 8.2240 115.8561 55.6147 29.6311 176.6776 25 R 3.8895 7.7564 117.5270 57.2530 28.3315 177.8852 26 L 4.2946 8.0069 118.1974 55.7921 42.2649 176.8842 27 I 4.8371 7.2535 110.1672 59.1778 40.2578 175.1538 28 A 4.0348 8.9907 124.8329 53.6797 19.2879 177.6141 *30 A 4.4477 7.8359 115.6504 51.9878 20.2207 175.9568 31 N 5.0381 9.1361 117.2019 51.5944 41.5965 173.5261 32 L 5.4206 8.6953 124.0312 53.0484 44.2042 176.2556 33 R 4.9418 8.5275 118.1685 54.9395 33.0052 174.5483 34 E 4.6618 9.0503 121.1490 57.2460 30.6506 175.3042 35 H 4.8410 8.6574 115.6979 55.2339 32.5432 172.3914 36 R 4.8524 8.7593 118.0244 54.5968 31.7087 175.6870 37 A 4.9077 8.9971 126.2626 50.4346 21.8481 175.6922 38 F 5.2815 8.8207 118.5638 55.9866 42.4140 173.7891 39 Y 4.9458 8.2057 120.7696 55.4420 41.7740 173.9413 40 W 4.9811 8.9625 120.5572 56.4112 30.5560 176.4554 41 W 4.6393 9.8533 133.9084 57.4978 32.8125 174.2587 42 E 3.3776 9.2457 128.5175 57.4907 26.2176 175.8224 43 G 4.0014 8.2249 102.4359 45.4597 0.0000 172.3665 44 K 4.7139 8.1128 120.6898 54.4515 35.8584 175.5257 45 I 3.9749 8.1433 127.8875 60.5033 37.1215 175.3331 46 E 4.0429 8.7266 128.0255 55.6323 30.9515 175.8730 47 E 4.6516 8.3775 123.1845 54.5398 32.0013 174.5704 48 D 4.8511 8.6690 126.0534 52.4733 45.7858 175.2180 49 K 4.6150 8.5944 121.0764 56.6047 33.3320 175.8552 50 E 4.7416 9.0200 121.9903 55.0044 35.1434 174.1024 51 V 3.9765 8.5612 120.4305 61.0339 33.8505 174.9241 52 G 4.2470 8.8639 115.8569 45.5649 0.0000 171.9284 53 A 5.3566 8.7854 123.7123 49.9773 22.4885 174.9922 54 I 4.8010 9.0181 124.2559 59.8974 39.2816 174.7406 55 L 5.0686 9.4158 127.9307 52.8729 44.5081 175.7049 56 K 5.1346 8.6258 121.8563 55.2339 35.0518 175.2409 57 T 4.6111 8.4734 118.5974 61.5427 71.4543 172.5666 58 R 4.6633 8.5334 119.7303 55.2035 31.7302 177.6071 59 E 4.0428 8.8438 120.5133 59.7264 29.5739 178.8630 60 D 4.6643 8.1255 115.1524 54.7165 39.7796 176.9578 61 L 4.5130 7.7680 119.6997 54.4649 42.1132 177.6531 62 W 4.6128 8.0672 129.6384 60.9350 30.7094 177.4787 63 E 3.4509 8.1409 117.5499 59.3063 28.9758 178.9517 64 E 3.8571 7.9791 118.7765 58.9507 29.6936 178.4387 65 L 3.8752 8.1297 120.7836 57.9155 42.2070 178.6756 66 K 3.5277 7.7243 119.9210 59.6210 31.9192 178.5610 67 E 3.8818 7.7649 118.4007 59.2931 29.4330 179.3808 68 R 3.8936 7.9991 118.8624 59.3930 30.0694 178.6410 69 I 3.7810 8.1026 120.1061 64.1821 36.8231 178.4500 70 K 3.9397 7.7690 118.5820 59.6827 31.9754 178.9366 71 E 4.1134 7.8453 117.2260 59.0522 29.4346 178.7705 72 L 4.2829 7.6751 117.5224 55.6896 42.3873 177.1506 73 H 4.2151 8.0652 119.6245 55.3104 30.2419 173.6091 74 P 4.3860 0.0000 0.0000 65.5402 31.5962 176.5650 75 Y 4.6140 7.7721 116.1993 57.6340 38.5153 175.4280 76 D 4.5465 8.7893 123.8119 56.6912 41.4037 176.9433 77 V 4.3455 7.2403 117.7893 60.1135 31.2322 172.7403 78 P 4.3472 0.0000 0.0000 61.5818 32.8202 176.2095 79 A 4.4160 8.0888 120.9283 51.1698 20.3255 176.3962 80 I 4.6296 8.4210 123.2725 59.4441 38.9850 173.3501 81 I 4.4405 8.8568 127.0783 59.5367 39.1452 174.3174 82 R 4.5709 8.3446 127.8023 54.6830 31.4287 175.2445 83 I 4.4209 8.6424 127.1527 59.3058 40.1439 174.7477 84 D 4.6770 8.6295 127.5513 54.1865 41.6236 176.1728 85 V 4.0000 8.0897 123.2312 62.1127 31.7446 175.9856 86 D 4.4881 8.8900 128.1378 57.2759 41.1640 175.8046 87 D 4.6387 7.6326 114.8091 53.7035 43.8792 174.1975 88 V 4.4884 7.8177 121.2940 59.0314 34.1969 173.8323 89 N 4.5076 8.5767 119.5569 52.7879 38.8769 175.4388 90 E 3.9921 8.9614 124.0062 60.1785 29.7090 179.5903 91 D 4.4211 8.1795 117.9131 57.4588 40.8184 178.1713 92 Y 4.0821 8.0451 119.7946 60.4921 38.8687 177.2110 93 L 4.0972 8.1681 121.2994 57.8791 42.1100 178.8272 94 K 3.9014 8.3509 119.8010 59.2465 32.0918 178.5424 95 W 4.0051 8.1848 128.5546 60.3557 30.4068 177.5834 96 L 3.3207 7.9599 119.3525 58.0870 41.7029 178.7467 97 I 3.7844 7.9438 119.9733 64.3390 36.8006 178.2180 98 E 3.9248 7.9560 118.5151 59.1429 29.2822 178.2859 99 E 4.2230 7.4506 116.4244 55.3452 29.7906 176.1014 100 T 4.6644 6.6195 108.1774 59.0603 71.8400 173.5620 101 K 3.6763 8.7699 121.7925 57.7160 32.1662 177.0196 102 K 4.1811 8.7202 122.1912 57.3169 34.0698 174.3354 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 M 8.15 4.79 0.00 2.21 2.51 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 2 I 8.75 4.89 1.77 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 1.42 0.87 0.85 0.00 0.00 3 I 9.05 5.03 1.98 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 1.14 0.91 0.97 0.00 0.00 4 V 9.13 4.95 2.25 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 1.22 0.00 0.00 1.21 0.00 0.00 5 Y 9.23 5.35 0.00 3.03 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 6 T 8.39 5.16 4.10 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 0.95 0.00 0.00 7 T 7.82 4.82 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 0.98 0.00 0.00 8 F 8.70 4.66 0.00 2.78 2.63 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 0.00 9 P 0.00 4.26 0.00 2.13 2.14 0.00 3.55 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 10 D 7.24 4.45 0.00 3.07 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 11 W 8.52 3.93 0.00 3.40 3.26 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 0.00 12 E 8.35 3.93 0.00 2.05 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 2.35 2.38 0.00 13 S 8.76 3.99 0.00 3.91 3.99 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 14 A 7.40 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.41 3.83 0.00 1.95 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 0.00 2.49 2.69 0.00 16 K 7.71 3.81 0.00 1.75 1.93 0.00 1.54 0.00 0.00 1.47 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.54 7.81 17 V 7.41 3.50 1.67 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 1.09 0.00 0.00 0.94 0.00 0.00 18 V 7.60 3.67 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 0.75 0.00 0.00 1.00 0.00 0.00 19 K 8.18 3.99 0.00 1.84 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 20 T 7.82 3.88 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 1.20 0.00 0.00 21 L 8.00 4.01 0.00 1.88 1.74 0.99 0.40 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 22 L 8.15 4.00 0.00 1.95 1.72 0.97 0.67 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 23 K 8.03 4.03 0.00 1.87 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.68 7.81 24 E 8.22 4.27 0.00 1.92 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 2.33 2.59 0.00 25 R 7.76 3.89 0.00 2.05 1.92 0.00 3.08 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 26 L 8.01 4.29 0.00 1.64 1.73 0.91 0.55 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 27 I 7.25 4.84 1.94 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 1.31 0.69 0.98 0.00 0.00 28 A 8.99 4.03 1.07 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 *30 A 7.84 4.45 1.34 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 0.00 0.00 0.00 31 N 9.14 5.04 0.00 2.70 2.80 0.00 0.00 6.99 7.22 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 32 L 8.70 5.42 0.00 1.76 1.46 0.97 0.93 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 33 R 8.53 4.94 0.00 1.97 2.10 0.00 3.04 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 34 E 9.05 4.66 0.00 2.01 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 2.42 2.88 0.00 35 H 8.66 4.84 0.00 3.24 3.43 0.00 5.25 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.76 4.85 0.00 1.87 1.76 0.00 3.30 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 37 A 9.00 4.91 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 38 F 8.82 5.28 0.00 2.82 2.87 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 Y 8.21 4.95 0.00 3.12 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 40 W 8.96 4.98 0.00 3.34 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 41 W 9.85 4.64 0.00 3.59 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 42 E 9.25 3.38 0.00 2.03 1.83 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 1.47 1.99 0.00 43 G 8.22 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 44 K 8.11 4.71 0.00 1.91 1.84 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.28 1.38 7.81 45 I 8.14 3.97 1.49 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.62 0.00 0.00 46 E 8.73 4.04 0.00 1.16 1.52 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 2.33 2.23 0.00 47 E 8.38 4.65 0.00 1.78 1.67 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 1.85 1.47 0.00 48 D 8.67 4.85 0.00 2.71 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 49 K 8.59 4.62 0.00 1.64 1.73 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 50 E 9.02 4.74 0.00 1.58 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 2.25 2.25 0.00 51 V 8.56 3.98 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 -0.33 0.00 0.00 52 G 8.86 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 0.00 0.00 0.00 0.00 53 A 8.79 5.36 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 54 I 9.02 4.80 1.99 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 1.43 0.91 1.01 0.00 0.00 55 L 9.42 5.07 0.00 1.66 1.66 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.63 5.13 0.00 1.91 1.93 0.00 2.03 0.00 0.00 1.92 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.55 7.81 57 T 8.47 4.61 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 1.34 0.00 0.00 58 R 8.53 4.66 0.00 1.94 1.97 0.00 3.19 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 59 E 8.84 4.04 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 2.39 2.32 0.00 60 D 8.13 4.66 0.00 2.82 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 61 L 7.77 4.51 0.00 1.98 1.77 0.98 0.65 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 62 W 8.07 4.61 0.00 3.42 3.23 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 63 E 8.14 3.45 0.00 1.96 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 0.00 2.45 2.32 0.00 64 E 7.98 3.86 0.00 1.99 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 2.34 2.32 0.00 65 L 8.13 3.88 0.00 1.86 1.89 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.72 3.53 0.00 0.79 1.20 0.00 1.56 0.00 0.00 1.15 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.17 7.81 67 E 7.76 3.88 0.00 2.08 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 2.35 2.37 0.00 68 R 8.00 3.89 0.00 2.01 2.02 0.00 3.22 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 69 I 8.10 3.78 1.99 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 1.58 0.68 0.95 0.00 0.00 70 K 7.77 3.94 0.00 1.92 1.86 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.65 7.81 71 E 7.85 4.11 0.00 2.02 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 2.33 2.61 0.00 72 L 7.68 4.28 0.00 1.68 1.72 0.92 0.88 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 73 H 8.07 4.22 0.00 3.37 3.19 0.00 5.76 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.39 0.00 2.08 2.09 0.00 3.50 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.83 0.00 75 Y 7.77 4.61 0.00 2.78 2.61 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 76 D 8.79 4.55 0.00 2.73 2.80 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 0.00 0.00 0.00 77 V 7.24 4.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.12 0.00 0.00 78 P 0.00 4.35 0.00 1.81 1.53 0.00 3.77 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 1.89 1.85 0.00 79 A 8.09 4.42 1.19 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 80 I 8.42 4.63 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 1.03 0.00 0.00 81 I 8.86 4.44 2.15 0.00 0.00 1.00 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 0.80 0.95 0.00 0.00 82 R 8.34 4.57 0.00 0.67 0.78 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.02 0.00 83 I 8.64 4.42 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.76 0.86 0.00 0.00 84 D 8.63 4.68 0.00 2.48 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 85 V 8.09 4.00 2.24 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 0.81 0.00 0.00 0.95 0.00 0.00 86 D 8.89 4.49 0.00 2.70 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 87 D 7.63 4.64 0.00 2.59 2.48 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 88 V 7.82 4.49 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 0.83 0.00 0.00 1.02 0.00 0.00 89 N 8.58 4.51 0.00 2.98 3.01 0.00 0.00 5.96 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 90 E 8.96 3.99 0.00 2.07 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 2.44 2.46 0.00 91 D 8.18 4.42 0.00 2.78 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 92 Y 8.05 4.08 0.00 3.05 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 93 L 8.17 4.10 0.00 1.97 1.91 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.35 3.90 0.00 2.03 2.07 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.47 7.81 95 W 8.18 4.01 0.00 3.37 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.32 0.00 1.54 1.79 1.12 0.97 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 97 I 7.94 3.78 1.95 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 1.50 1.37 0.87 0.00 0.00 98 E 7.96 3.92 0.00 1.88 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 0.00 2.58 2.43 0.00 99 E 7.45 4.22 0.00 1.16 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 1.47 1.47 0.00 100 T 6.62 4.66 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 101 K 8.77 3.68 0.00 1.74 1.83 0.00 1.98 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.55 7.81 102 K 8.72 4.18 0.00 1.89 1.81 0.00 1.48 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.