NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2833 8.4449 120.2243 56.0382 31.1852 175.3919 4 I 3.8918 7.8057 120.3198 59.2347 38.0888 173.8902 5 P 4.3073 0.0000 0.0000 62.5556 32.9589 176.9730 6 K 3.9191 8.7926 122.8212 59.6617 32.0361 178.8853 7 E 4.0619 8.1062 117.2916 59.1873 29.6173 178.6162 8 M 4.0345 8.0417 119.5782 58.3187 32.2202 178.1451 9 L 4.0996 7.7948 118.8156 57.6830 41.8176 179.1280 10 R 3.8201 8.0365 118.4556 59.4543 29.9381 178.4328 11 A 3.9808 7.8634 120.4108 55.2393 18.3417 179.6701 12 Q 3.8706 8.2777 116.7081 59.3075 28.7837 179.0008 13 T 3.8163 8.0551 116.8671 66.6821 68.4134 176.1746 14 N 4.3164 8.2585 118.3430 56.5749 38.7030 177.6121 15 V 3.5914 7.9775 119.4915 65.9024 31.5302 178.1834 16 I 3.6611 7.9050 119.5767 64.3879 37.0221 178.2851 17 L 4.0112 7.9701 119.7560 58.0192 41.4628 179.7593 18 L 4.0405 8.3110 119.0051 57.7265 41.2680 179.2336 19 N 4.3896 7.8721 115.5911 55.6006 38.6739 177.4651 20 V 3.7268 7.6825 120.1453 66.0787 31.5575 178.0683 21 L 4.2832 7.8339 120.0312 57.1166 41.1660 179.3949 22 K 3.9438 8.0181 118.9716 59.6643 32.1504 178.6230 23 Q 4.2399 7.9753 117.3830 56.2175 28.9867 176.8054 24 G 4.3211 6.8597 111.4291 44.8824 0.0000 171.5425 25 D 4.9185 8.4913 120.8316 55.0662 41.3189 175.4668 26 N 5.3355 9.2920 119.4644 52.8618 43.1873 172.9354 27 Y 4.7572 8.0471 121.5010 54.6694 40.9148 176.7112 28 V 3.4952 8.7473 118.6385 66.4514 31.4401 177.2778 29 Y 3.9525 8.1504 118.7366 60.4772 38.6243 177.8728 30 G 3.3659 6.8330 107.4187 47.1046 0.0000 175.5165 31 I 3.6206 7.5012 122.4063 63.9957 37.1523 178.5735 32 I 3.4948 7.5802 120.6443 64.1314 36.9148 178.3804 33 K 3.6857 7.8466 120.5426 59.4724 31.9922 178.5676 34 Q 3.9101 8.1434 119.9972 59.2341 28.9916 178.4315 35 V 3.5300 8.1143 119.7214 65.6563 31.4721 177.9624 36 K 4.1275 7.8894 120.7913 58.9170 31.9706 178.7199 37 E 3.8735 8.2093 118.5108 59.5520 29.2811 179.1304 38 A 3.9121 7.8958 120.6480 54.8890 18.7253 178.3137 39 S 4.4918 8.2557 108.6189 57.5909 63.4025 174.0672 40 N 4.0404 9.0097 117.3004 54.7201 36.1197 175.6035 41 G 3.9939 8.8293 107.1207 45.6010 0.0000 175.5570 42 E 3.9347 7.8611 118.6920 58.4786 29.4891 176.3741 43 M 4.3665 8.3747 118.6115 53.4283 32.6256 173.1671 44 E 4.5802 8.3089 126.5251 53.9319 29.9505 174.9558 45 L 4.2611 7.9458 125.3552 53.7040 43.2199 177.2771 46 N 4.6751 8.1291 119.7874 51.6136 40.3345 175.7435 47 E 3.4689 8.5295 121.6832 59.5563 29.5952 179.1075 48 A 4.1350 7.8069 120.0275 55.3868 18.5051 179.5352 49 T 3.7089 8.0591 114.2263 66.7536 68.5123 176.8055 50 L 3.3823 7.2688 120.3459 57.6723 41.3688 179.2010 51 Y 4.3051 7.2018 116.5665 61.3329 37.2823 178.6744 52 T 3.8969 7.8867 116.5684 66.8223 68.6063 176.6288 53 I 3.7432 7.6150 121.3891 64.6261 37.0975 178.6751 54 F 4.5319 8.7553 118.8400 60.1684 38.5532 177.7323 55 K 4.0258 8.5463 119.9320 59.5518 32.0247 178.8934 56 R 3.9203 7.8069 118.0995 59.4397 29.9896 178.4704 57 L 4.0488 8.0312 118.9197 57.6458 41.5124 179.1985 58 E 4.3221 8.6191 121.1166 58.7191 29.4408 178.5929 59 K 3.8910 8.1411 118.7144 59.5185 32.2702 177.4789 60 D 4.7102 8.0028 116.2689 53.9624 41.0045 177.0959 61 G 3.9371 7.9696 107.8253 46.1032 0.0000 174.6548 62 I 4.2488 8.2034 123.5474 62.5712 38.5364 175.7515 63 I 5.2409 7.5889 113.5696 59.2454 41.8460 174.1996 64 S 5.2091 9.1517 117.0424 57.1987 66.9189 172.4520 65 S 5.4618 8.5892 112.7934 56.3723 66.1194 172.4194 66 Y 4.6684 7.3362 117.0407 55.9948 41.1054 173.0001 67 W 4.7790 8.8483 120.2611 56.2981 30.0266 177.8932 68 G 4.2485 9.6126 115.3549 46.4633 0.0000 170.9625 69 D 4.8076 8.5678 120.6794 53.1068 44.6977 173.3572 70 E 4.3339 8.5208 127.5137 56.3144 28.2742 174.8330 *74 G 3.6547 7.4621 107.7696 44.9252 0.0000 172.6478 75 R 4.1469 8.4703 124.4024 56.5230 30.9193 176.2738 76 R 4.8059 8.5326 119.0529 54.5542 33.1982 174.6987 77 K 4.0731 8.1510 122.1564 55.1698 33.8471 174.5964 78 Y 4.5324 8.3605 125.5191 56.5909 40.3977 174.2216 79 Y 4.9665 8.9245 120.7676 56.3135 40.9892 174.7772 80 R 4.9832 9.1644 122.9079 54.2118 33.8537 174.0391 81 L 4.4545 8.6081 128.3794 55.2629 42.9601 176.6785 82 T 4.3188 8.7975 117.0570 61.0076 70.6133 175.6695 83 E 4.0291 8.8518 120.7090 59.6701 29.3807 179.6165 84 I 3.8527 7.8606 119.5134 64.1963 37.1763 178.4871 85 G 3.6186 8.3461 106.8931 48.2060 0.0000 175.3625 86 H 4.1530 8.5710 119.4859 58.4625 28.6720 177.5650 87 E 3.9460 8.3279 120.9692 59.3502 29.4309 178.4732 88 N 4.3606 8.3216 116.5489 56.7315 38.5726 177.2376 89 M 4.1088 8.1038 119.9464 58.3320 32.0252 178.7487 90 R 3.9866 8.1816 118.8801 59.5731 30.2222 178.6257 91 L 4.0453 8.4426 118.9175 57.6580 41.6439 179.2830 92 A 4.1025 8.3896 121.0192 55.2469 18.3854 179.4842 93 F 4.2253 8.7924 119.5572 61.3807 39.6055 176.8973 94 E 3.8742 8.8520 119.6604 59.3847 29.4817 179.0237 95 S 4.0469 8.3218 114.5186 61.2328 63.1863 176.4557 96 W 4.2180 8.2418 122.3711 59.2617 28.6325 178.7877 97 S 4.1836 7.9715 115.6459 61.3279 62.1168 176.5330 98 R 3.7988 7.8173 121.2991 59.2596 29.7438 178.5268 99 V 3.5298 7.7881 118.0736 66.3037 31.3981 177.6041 100 D 4.3988 8.2151 118.3288 57.5097 40.6326 179.1308 101 K 3.9812 8.2363 119.0447 59.4427 32.0116 179.5707 102 I 3.7117 8.1661 120.5598 64.2450 36.9175 178.4701 103 I 3.6643 7.9957 120.8242 64.3737 36.7755 177.6638 104 E 3.9029 8.0327 118.8127 59.7927 29.6639 178.4204 105 N 4.4608 8.3023 116.0286 56.4348 38.3762 177.2863 106 L 4.0445 7.7909 119.2501 57.6757 41.7679 178.5291 107 E 4.3659 8.1668 115.6067 56.3567 29.5326 176.5357 108 A 4.3303 7.6856 128.2980 52.2289 19.3034 177.0224 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 3 E 8.44 4.28 0.00 1.97 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 2.21 2.33 0.00 4 I 7.81 3.89 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.57 0.88 0.00 0.00 5 P 0.00 4.31 0.00 2.17 2.13 0.00 3.59 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 6 K 8.79 3.92 0.00 1.81 1.81 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 7 E 8.11 4.06 0.00 2.21 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 2.36 2.31 0.00 8 M 8.04 4.03 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 9 L 7.79 4.10 0.00 1.84 1.67 0.90 0.86 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 10 R 8.04 3.82 0.00 1.97 2.10 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 11 A 7.86 3.98 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.28 3.87 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 13 T 8.06 3.82 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 14 N 8.26 4.32 0.00 2.93 2.89 0.00 0.00 6.71 7.30 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 15 V 7.98 3.59 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 1.03 0.00 0.00 0.97 0.00 0.00 16 I 7.90 3.66 1.99 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 1.49 0.49 0.88 0.00 0.00 17 L 7.97 4.01 0.00 1.91 1.91 0.81 0.44 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 18 L 8.31 4.04 0.00 1.67 1.70 0.93 0.79 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 19 N 7.87 4.39 0.00 2.94 2.85 0.00 0.00 6.96 7.61 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 20 V 7.68 3.73 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 1.03 0.00 0.00 0.95 0.00 0.00 21 L 7.83 4.28 0.00 1.90 1.67 0.97 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.02 3.94 0.00 1.81 2.00 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 23 Q 7.98 4.24 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 24 G 6.86 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 0.00 0.00 0.00 0.00 25 D 8.49 4.92 0.00 2.72 2.90 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 0.00 0.00 0.00 0.00 26 N 9.29 5.34 0.00 3.03 2.64 0.00 0.00 6.77 7.65 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 27 Y 8.05 4.76 0.00 2.93 2.38 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 0.00 28 V 8.75 3.50 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 0.79 0.00 0.00 1.02 0.00 0.00 29 Y 8.15 3.95 0.00 3.23 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 30 G 6.83 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.50 3.62 1.89 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 1.54 0.67 0.87 0.00 0.00 32 I 7.58 3.49 1.74 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.66 0.73 0.00 0.00 33 K 7.85 3.69 0.00 1.44 1.87 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.38 7.81 34 Q 8.14 3.91 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 35 V 8.11 3.53 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 0.92 0.00 0.00 0.93 0.00 0.00 36 K 7.89 4.13 0.00 1.77 1.84 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.27 7.81 37 E 8.21 3.87 0.00 2.04 1.95 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 2.30 2.58 0.00 38 A 7.90 3.91 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 39 S 8.26 4.49 0.00 3.99 4.09 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 40 N 9.01 4.04 0.00 2.86 2.92 0.00 0.00 7.01 8.46 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 41 G 8.83 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 0.00 0.00 0.00 42 E 7.86 3.93 0.00 2.08 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 2.27 0.00 43 M 8.37 4.37 0.00 1.92 1.86 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 44 E 8.31 4.58 0.00 1.86 1.77 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 2.09 2.20 0.00 45 L 7.95 4.26 0.00 1.48 1.38 0.77 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.13 4.68 0.00 2.91 2.85 0.00 0.00 5.80 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 47 E 8.53 3.47 0.00 1.96 1.95 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 1.89 2.23 0.00 48 A 7.81 4.13 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 49 T 8.06 3.71 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 1.08 0.00 0.00 50 L 7.27 3.38 0.00 1.19 0.70 0.54 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.20 4.31 0.00 3.14 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 52 T 7.89 3.90 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 1.21 0.00 0.00 53 I 7.61 3.74 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.60 1.03 0.00 0.00 54 F 8.76 4.53 0.00 2.96 2.90 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 0.00 0.00 0.00 0.00 55 K 8.55 4.03 0.00 1.96 2.08 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.50 7.81 56 R 7.81 3.92 0.00 2.03 2.09 0.00 3.23 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 57 L 8.03 4.05 0.00 1.78 1.68 0.99 0.88 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 58 E 8.62 4.32 0.00 2.14 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 0.00 2.35 2.21 0.00 59 K 8.14 3.89 0.00 1.94 2.03 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.52 7.81 60 D 8.00 4.71 0.00 2.92 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 61 G 7.97 3.94 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 0.00 0.00 0.00 62 I 8.20 4.25 1.97 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 1.30 0.98 0.90 0.00 0.00 63 I 7.59 5.24 1.83 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.09 0.73 0.00 0.00 64 S 9.15 5.21 0.00 3.85 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 65 S 8.59 5.46 0.00 3.11 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 66 Y 7.34 4.67 0.00 3.03 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 67 W 8.85 4.78 0.00 3.31 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 68 G 9.61 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 69 D 8.57 4.81 0.00 2.65 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 70 E 8.52 4.33 0.00 1.96 2.36 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 2.13 2.28 0.00 *74 G 7.46 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 75 R 8.47 4.15 0.00 1.78 2.25 0.00 2.95 0.00 0.00 2.69 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 76 R 8.53 4.81 0.00 1.56 1.38 0.00 2.56 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 77 K 8.15 4.07 0.00 0.88 1.27 0.00 1.29 0.00 0.00 1.40 0.00 0.00 2.63 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.52 0.24 7.81 78 Y 8.36 4.53 0.00 1.65 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.92 4.97 0.00 2.93 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 R 9.16 4.98 0.00 2.06 1.81 0.00 3.06 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.24 0.00 81 L 8.61 4.45 0.00 1.60 1.43 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.80 4.32 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 1.19 0.00 0.00 83 E 8.85 4.03 0.00 2.04 2.05 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 2.39 2.40 0.00 84 I 7.86 3.85 1.88 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 1.58 0.90 0.93 0.00 0.00 85 G 8.35 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.57 4.15 0.00 3.40 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.33 3.95 0.00 2.23 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 2.42 0.00 88 N 8.32 4.36 0.00 2.95 2.90 0.00 0.00 7.08 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 89 M 8.10 4.11 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.57 0.00 90 R 8.18 3.99 0.00 2.03 2.15 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 91 L 8.44 4.05 0.00 1.75 1.73 0.94 0.69 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 92 A 8.39 4.10 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.79 4.23 0.00 3.25 3.38 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 0.00 94 E 8.85 3.87 0.00 2.44 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 2.34 2.38 0.00 95 S 8.32 4.05 0.00 3.83 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 96 W 8.24 4.22 0.00 3.47 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 97 S 7.97 4.18 0.00 3.76 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 98 R 7.82 3.80 0.00 1.89 2.01 0.00 3.12 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 99 V 7.79 3.53 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.62 0.00 0.00 100 D 8.22 4.40 0.00 2.88 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 0.00 101 K 8.24 3.98 0.00 1.91 1.84 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.73 7.81 102 I 8.17 3.71 1.99 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 1.50 0.73 0.90 0.00 0.00 103 I 8.00 3.66 2.04 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 1.43 0.87 0.93 0.00 0.00 104 E 8.03 3.90 0.00 2.04 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 0.00 2.34 2.39 0.00 105 N 8.30 4.46 0.00 2.98 2.85 0.00 0.00 7.11 6.26 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 0.00 106 L 7.79 4.04 0.00 1.87 1.74 0.92 0.81 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 0.00 107 E 8.17 4.37 0.00 2.05 1.97 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 2.33 2.47 0.00 108 A 7.69 4.33 1.26 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.