NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 S 4.4657 8.3193 115.4167 58.0842 64.3633 172.6991 29 L 4.6171 8.0604 122.0330 51.0735 42.3645 173.7596 30 P 4.5900 0.0000 0.0000 63.5484 32.9824 176.2679 31 K 4.7787 8.3539 119.8044 56.5669 35.0226 173.9026 32 F 5.1090 8.5378 115.6461 55.3139 41.3427 173.4505 33 E 4.4833 8.7310 119.2345 54.4311 33.6468 175.0511 34 I 4.1319 7.4155 120.0224 60.2018 40.4409 176.2502 35 H 4.4934 8.5777 125.5446 54.0950 27.7421 173.1078 36 D 4.5362 8.4300 121.0524 53.5400 39.7283 174.6244 37 V 4.9054 7.9669 123.8906 60.8725 33.3440 174.9354 38 R 4.8111 8.9191 123.5550 54.4714 34.3419 176.1084 39 D 4.3684 8.7138 118.9899 57.0211 41.0919 176.6175 40 D 4.6521 7.3860 116.5244 51.5848 40.0433 174.3051 41 P 4.2631 0.0000 0.0000 65.0896 31.7319 178.4365 42 A 4.0180 7.2334 117.9055 54.5979 18.1758 177.5430 43 E 4.6253 8.7722 113.1322 55.5270 30.9905 176.1533 44 G 3.9485 8.0785 107.3434 47.0579 0.0000 173.1208 45 T 4.5761 9.0173 113.0419 62.2141 72.1974 172.0713 *47 T 4.0748 8.5128 111.7630 63.3800 68.7815 173.6044 48 R 3.7107 7.4345 125.4316 56.1633 32.1943 175.3435 49 V 4.0438 8.0870 123.6722 61.3282 34.4946 173.7215 50 A 5.3166 8.2441 129.1454 49.8937 23.1292 175.0721 51 V 4.4789 8.2906 117.1555 60.1524 33.8146 175.0999 52 D 4.6357 8.9143 126.8480 53.0454 43.0222 178.0931 53 G 4.0268 9.3197 118.8250 46.4974 0.0000 173.6512 54 K 4.7707 9.1108 120.3459 55.6213 35.0216 176.0236 55 L 5.0762 8.1650 121.5828 53.7770 43.5297 176.6281 56 L 4.8827 8.5526 122.9729 54.7190 43.3679 176.3603 57 L 5.5302 8.2305 119.7136 54.1537 41.7068 173.2325 58 I 4.0164 7.9680 126.3477 62.3944 38.0152 174.7987 59 S 5.6534 8.2548 122.8048 56.0903 67.2542 173.4248 60 Q 4.3385 8.1450 119.0044 55.7074 32.2669 171.9718 61 Y 5.3809 8.3555 124.7289 55.4566 40.4466 173.6577 62 P 4.4942 0.0000 0.0000 62.7595 32.9008 173.9634 63 Q 3.9130 8.7051 127.4294 55.1192 28.8929 176.0381 64 L 4.2234 8.3551 129.0835 54.9950 43.0273 176.0630 65 G 4.0367 8.8155 114.3306 44.3671 0.0000 172.3779 66 P 4.4753 0.0000 0.0000 62.0905 32.0335 177.1906 67 R 4.1893 8.4605 118.0026 57.7696 29.0628 177.0835 68 K 3.9969 7.3936 117.6787 56.0271 32.1304 174.6669 69 V 4.0906 9.5543 126.6130 60.2855 33.0673 172.6101 70 D 4.5080 8.6337 126.9027 52.3314 42.7285 175.1709 71 P 4.2890 0.0000 0.0000 65.6871 31.5528 177.3384 72 N 4.2540 8.2971 116.2900 55.9695 38.9296 173.8629 73 D 4.4075 7.6059 116.8333 54.6299 40.0089 175.9386 74 L 4.3421 8.3475 123.7688 54.9308 42.0411 177.8810 75 S 4.4083 7.6426 113.9294 57.0267 63.8639 172.1630 76 P 4.4993 0.0000 0.0000 62.9865 32.1005 175.8456 77 Q 4.3240 8.5979 119.8192 55.5698 29.3247 174.4657 78 F 5.2996 7.6317 114.0467 55.8328 42.7513 175.5041 79 D 4.5243 8.6643 124.8503 53.6430 38.5688 176.3767 80 A 3.1888 7.7571 123.2521 52.9027 18.6304 178.3235 81 D 4.5452 7.9870 115.5098 55.2822 41.3703 177.3191 82 R 4.6290 8.0114 119.0603 55.4419 30.7689 175.6929 83 R 4.7284 7.7163 114.1635 55.5903 31.7217 175.0621 84 I 4.1914 8.3126 123.0516 60.3488 39.2972 175.4946 85 S 4.7318 8.2489 122.0915 57.4605 65.5084 173.0246 86 V 3.8877 8.4823 125.7042 61.0319 32.1894 174.8250 87 R 4.5504 8.3746 127.5648 55.9599 30.7500 176.2040 88 L 4.9008 8.1692 122.6569 52.5963 43.7458 176.3989 89 R 4.2350 8.5538 119.6856 56.3513 31.1523 177.7833 90 H 4.9104 9.0782 117.4541 58.8425 30.3402 177.3511 91 V 3.5314 7.9917 119.2073 64.9866 30.6901 177.4891 92 D 4.5316 7.6053 117.4064 57.4379 40.5458 178.4961 93 L 3.8347 7.4092 118.6631 59.1415 42.1549 178.1055 94 A 3.8115 8.0756 119.5517 54.9551 17.9466 178.8829 95 Y 4.2614 7.6192 112.1800 61.1322 38.1706 179.0797 96 L 4.1887 8.5689 118.9279 58.2030 41.9379 179.8771 97 V 3.8696 8.6984 118.6755 65.9678 31.6900 178.1949 98 G 3.9212 8.1525 104.9829 47.9983 0.0000 175.4240 99 V 3.9369 7.9944 121.2515 65.5756 31.8288 177.3787 100 C 5.0792 8.3269 118.2705 62.3715 27.7980 176.6384 101 K 4.4145 7.9047 113.8652 56.0102 31.3474 176.3799 102 E 3.9964 8.0133 116.6636 57.3773 27.8584 176.6205 103 R 4.1699 8.0256 119.4109 58.0793 30.4380 177.7597 104 V 4.5084 7.5348 111.0900 58.4491 34.3796 174.2883 105 P 4.2129 0.0000 0.0000 65.8457 30.9550 175.6340 106 R 4.7739 7.4132 115.5725 55.2096 33.7915 173.3502 107 H 4.7817 9.1916 120.4243 54.5820 32.8488 172.7895 108 R 5.6711 8.2068 125.8556 54.3217 32.0906 174.8257 *110 E 3.9725 8.4438 119.7651 56.6605 30.3940 175.3266 111 T 4.1898 7.7772 110.6425 60.9725 71.6373 173.3720 112 K 4.0288 8.4565 119.6821 58.9552 32.9999 177.6213 113 A 4.4877 7.6366 120.0878 52.6665 19.6647 175.6448 114 Y 4.9696 6.7932 112.0752 56.8322 41.6727 173.7897 115 T 4.7907 9.3259 117.1248 62.3571 72.3613 173.1496 116 L 5.1270 8.7710 125.3614 53.1025 46.2718 175.9361 117 D 4.9970 9.3591 120.4558 52.8210 45.3318 174.3157 118 F 5.1531 9.5681 127.2606 56.7007 40.8229 173.9646 119 E 4.8775 8.4835 124.2669 53.9899 33.3523 175.0345 120 K 4.1250 8.2644 122.2329 55.2911 32.8399 176.5504 121 S 4.2926 8.7760 123.1338 57.3308 63.2426 174.6465 122 A 4.0046 8.2834 125.2155 54.4863 18.4369 178.6608 123 Q 4.3815 7.9819 113.6542 55.9353 30.7120 176.5003 124 G 4.5043 6.1140 106.6364 46.4038 0.0000 172.3373 125 Y 4.7681 9.1994 123.5160 56.6292 41.1409 174.5324 126 H 4.9285 9.0335 121.3288 55.1246 33.1872 171.6644 127 L 5.0502 8.6647 129.6908 53.9200 43.5767 174.9755 128 H 5.2337 9.6315 121.0329 52.4630 32.7342 175.0703 129 G 4.5186 7.7944 108.1166 46.1878 0.0000 174.0250 130 K 5.3486 9.9866 125.5758 54.1087 36.1109 175.1241 131 V 4.9430 8.4832 116.7806 60.3020 35.9814 173.3663 132 H 4.9707 8.3547 116.6010 54.1664 31.6064 174.2960 133 R 4.4770 8.0566 117.5263 54.6128 32.2941 175.9160 134 V 3.7221 8.6223 111.9870 62.9818 32.2615 177.0770 135 A 3.9278 6.8069 121.9939 52.0293 15.0517 176.0712 136 S 4.4609 7.6215 111.6130 57.1466 66.2909 176.0827 137 Q 4.3677 8.5427 127.6416 53.9986 28.8590 174.2415 138 R 4.2952 7.5929 122.6262 54.6341 32.9569 172.8021 *140 E 4.2407 8.4159 114.3788 56.6542 31.6719 173.9420 141 D 5.0722 8.5968 119.2808 53.0614 41.9114 176.2408 142 W 5.2443 8.9503 133.3202 55.9152 34.2673 173.9297 143 S 4.8913 7.8267 118.4404 57.0429 65.2565 173.6064 144 V 4.3014 8.4115 125.0670 60.1182 34.8169 173.5068 145 K 5.0008 8.7292 123.7893 54.9757 34.0594 176.2358 146 F 4.7235 9.9281 125.4376 56.0236 38.9496 174.4500 147 D 5.3710 8.5112 122.5825 52.1192 44.8111 176.8165 148 N 4.0988 9.2495 118.3646 54.2639 37.9554 177.3681 149 H 4.3450 8.6688 118.3682 59.4051 28.6979 177.5514 150 F 4.6846 8.2613 120.6705 59.6842 38.9322 177.2640 151 A 4.5705 8.7418 120.1475 54.5183 18.1349 179.4491 152 V 3.7858 7.8654 117.6469 66.0602 31.4579 177.7361 153 T 3.7703 7.9882 109.2505 64.7478 68.4291 175.8763 154 L 3.8772 8.0293 122.8386 58.1088 42.2030 178.3372 155 E 3.8489 7.7527 116.9363 60.3004 29.1767 179.2403 156 H 4.1750 8.4955 115.7213 59.0021 28.6542 177.5265 157 F 3.9172 8.4793 122.9676 60.8131 39.3417 176.9179 158 L 4.1841 8.8445 118.7954 58.2831 41.4190 179.1556 159 E 3.9515 8.3604 117.6905 60.3425 29.5077 178.5076 160 S 4.1867 8.1290 114.8780 60.0119 62.7582 176.5867 161 A 4.0648 8.7118 123.6695 55.2987 18.4392 179.5558 162 L 3.8912 7.7663 116.9252 57.7182 42.1696 178.3650 163 D 4.7469 8.9144 119.6301 57.1248 41.1855 177.8625 164 E 4.3599 8.1739 118.2705 57.9638 29.5537 178.5327 165 S 4.5270 7.7590 115.9346 61.1086 62.8340 176.6679 166 F 4.2765 7.9931 119.3444 59.2846 38.9431 175.0749 167 G 4.0531 8.9106 114.6232 41.4673 0.0000 178.2278 168 F 3.5596 7.8325 111.2458 58.9683 40.7240 178.3913 169 R 4.0083 8.9578 121.5641 59.8356 30.1528 178.1755 170 Q 4.1461 8.2932 116.1493 59.7227 28.9961 178.9351 171 H 4.3385 8.2401 118.3615 59.3766 29.8565 177.6739 172 Y 4.1325 8.3751 114.0525 58.4708 37.7865 176.4104 173 A 4.3775 8.3354 129.5934 52.3276 19.3505 177.5710 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 28 S 8.32 4.47 0.00 4.02 3.96 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 0.00 0.00 0.00 29 L 8.06 4.62 0.00 1.86 1.71 0.95 0.44 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 30 P 0.00 4.59 0.00 2.25 2.28 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.04 0.00 31 K 8.35 4.78 0.00 1.76 1.81 0.00 1.44 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.33 7.81 32 F 8.54 5.11 0.00 3.13 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 33 E 8.73 4.48 0.00 1.60 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.04 0.00 34 I 7.42 4.13 1.35 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.01 0.33 0.00 0.00 35 H 8.58 4.49 0.00 3.17 3.33 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.43 4.54 0.00 2.67 2.74 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 37 V 7.97 4.91 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 0.97 0.00 0.00 1.22 0.00 0.00 38 R 8.92 4.81 0.00 1.88 1.77 0.00 3.22 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 39 D 8.71 4.37 0.00 2.67 2.74 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 40 D 7.39 4.65 0.00 2.73 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.21 2.36 0.00 3.68 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 42 A 7.23 4.02 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 43 E 8.77 4.63 0.00 2.10 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 2.24 0.00 44 G 8.08 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 45 T 9.02 4.58 4.33 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 0.00 0.00 0.00 1.25 0.00 0.00 *47 T 8.51 4.07 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 1.23 0.00 0.00 48 R 7.43 3.71 0.00 1.59 1.41 0.00 2.96 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 49 V 8.09 4.04 1.22 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 0.68 0.00 0.00 0.62 0.00 0.00 50 A 8.24 5.32 1.23 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 0.00 0.00 51 V 8.29 4.48 2.35 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 1.04 0.00 0.00 1.01 0.00 0.00 52 D 8.91 4.64 0.00 2.83 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 53 G 9.32 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 54 K 9.11 4.77 0.00 1.59 1.63 0.00 1.44 0.00 0.00 1.45 0.00 0.00 2.89 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.20 1.26 7.81 55 L 8.16 5.08 0.00 1.74 1.91 1.01 0.38 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 56 L 8.55 4.88 0.00 1.58 1.57 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.23 5.53 0.00 1.64 1.70 0.88 0.70 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 58 I 7.97 4.02 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.72 1.03 0.00 0.00 59 S 8.25 5.65 0.00 3.58 3.76 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 0.00 0.00 0.00 60 Q 8.14 4.34 0.00 2.15 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 61 Y 8.36 5.38 0.00 2.87 2.96 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 0.00 0.00 0.00 62 P 0.00 4.49 0.00 2.19 2.27 0.00 3.98 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 63 Q 8.71 3.91 0.00 2.33 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.07 0.00 64 L 8.36 4.22 0.00 1.75 1.43 0.95 0.83 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 65 G 8.82 4.04 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 0.00 0.00 0.00 66 P 0.00 4.48 0.00 2.02 2.03 0.00 3.64 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 67 R 8.46 4.19 0.00 1.76 1.90 0.00 3.27 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 68 K 7.39 4.00 0.00 1.71 1.66 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.39 7.81 69 V 9.55 4.09 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 0.84 0.00 0.00 1.02 0.00 0.00 70 D 8.63 4.51 0.00 2.88 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 71 P 0.00 4.29 0.00 2.22 2.17 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 72 N 8.30 4.25 0.00 2.72 3.20 0.00 0.00 6.99 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.61 4.41 0.00 2.93 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 74 L 8.35 4.34 0.00 1.64 1.71 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 75 S 7.64 4.41 0.00 3.96 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 76 P 0.00 4.50 0.00 2.45 2.16 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 77 Q 8.60 4.32 0.00 1.89 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 1.69 2.04 0.00 78 F 7.63 5.30 0.00 3.37 3.21 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 0.00 0.00 0.00 79 D 8.66 4.52 0.00 2.82 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 A 7.76 3.19 0.78 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 81 D 7.99 4.55 0.00 2.89 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 82 R 8.01 4.63 0.00 1.71 1.89 0.00 3.14 0.00 0.00 3.57 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 83 R 7.72 4.73 0.00 1.96 1.68 0.00 2.93 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.57 0.00 84 I 8.31 4.19 1.43 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.65 0.28 0.00 0.00 85 S 8.25 4.73 0.00 3.63 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 86 V 8.48 3.89 1.74 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 -0.15 0.00 0.00 0.57 0.00 0.00 87 R 8.37 4.55 0.00 1.73 1.84 0.00 3.21 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 88 L 8.17 4.90 0.00 1.49 1.57 0.82 0.86 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 89 R 8.55 4.23 0.00 2.33 1.94 0.00 3.18 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 90 H 9.08 4.91 0.00 3.15 3.28 0.00 5.93 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 91 V 7.99 3.53 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 0.91 0.00 0.00 0.94 0.00 0.00 92 D 7.61 4.53 0.00 2.98 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 93 L 7.41 3.83 0.00 1.61 1.66 0.95 1.40 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 94 A 8.08 3.81 1.14 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 0.00 0.00 95 Y 7.62 4.26 0.00 2.99 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 96 L 8.57 4.19 0.00 1.83 1.69 -0.40 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.70 3.87 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 1.09 0.00 0.00 0.97 0.00 0.00 98 G 8.15 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 0.00 0.00 0.00 99 V 7.99 3.94 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 1.00 0.00 0.00 1.15 0.00 0.00 100 C 8.33 5.08 0.00 3.26 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 0.00 101 K 7.90 4.41 0.00 1.88 1.85 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.55 7.81 102 E 8.01 4.00 0.00 2.07 1.99 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 2.27 2.45 0.00 103 R 8.03 4.17 0.00 2.03 2.01 0.00 3.11 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 1.67 1.79 0.00 104 V 7.53 4.51 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 1.02 0.00 0.00 1.13 0.00 0.00 105 P 0.00 4.21 0.00 2.17 2.20 0.00 3.82 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 106 R 7.41 4.77 0.00 1.79 1.82 0.00 3.24 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 107 H 9.19 4.78 0.00 3.32 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.21 5.67 0.00 1.82 1.71 0.00 3.09 0.00 0.00 4.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 *110 E 8.44 3.97 0.00 1.93 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 2.15 2.24 0.00 111 T 7.78 4.19 3.81 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 0.00 0.00 0.90 0.00 0.00 112 K 8.46 4.03 0.00 1.86 1.94 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.68 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.35 7.81 113 A 7.64 4.49 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 0.00 114 Y 6.79 4.97 0.00 2.89 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 0.00 115 T 9.33 4.79 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 1.21 0.00 0.00 116 L 8.77 5.13 0.00 1.66 1.63 0.93 1.36 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 0.00 117 D 9.36 5.00 0.00 2.33 2.54 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 0.00 118 F 9.57 5.15 0.00 2.97 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 0.00 119 E 8.48 4.88 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 2.24 2.20 0.00 120 K 8.26 4.13 0.00 1.59 1.59 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.56 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.01 0.44 7.81 121 S 8.78 4.29 0.00 3.80 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 0.00 122 A 8.28 4.00 1.24 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 0.00 0.00 123 Q 7.98 4.38 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 124 G 6.11 4.50 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 0.00 0.00 0.00 125 Y 9.20 4.77 0.00 3.00 2.84 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 0.00 0.00 0.00 126 H 9.03 4.93 0.00 3.17 3.07 0.00 5.76 0.00 0.00 0.00 0.00 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.66 5.05 0.00 1.75 1.32 1.04 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 0.00 128 H 9.63 5.23 0.00 3.28 3.13 0.00 5.48 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 0.00 129 G 7.79 4.52 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 0.00 0.00 0.00 130 K 9.99 5.35 0.00 1.74 1.72 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.31 7.81 131 V 8.48 4.94 1.85 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 0.72 0.00 0.00 0.47 0.00 0.00 132 H 8.35 4.97 0.00 3.03 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.06 4.48 0.00 1.79 1.99 0.00 3.24 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 134 V 8.62 3.72 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 0.81 0.00 0.00 0.92 0.00 0.00 135 A 6.81 3.93 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 0.00 136 S 7.62 4.46 0.00 3.70 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 0.00 137 Q 8.54 4.37 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.47 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 138 R 7.59 4.30 0.00 1.74 1.77 0.00 3.33 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 *140 E 8.42 4.24 0.00 2.16 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 0.00 2.48 2.41 0.00 141 D 8.60 5.07 0.00 2.66 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 0.00 142 W 8.95 5.24 0.00 3.34 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 0.00 143 S 7.83 4.89 0.00 3.86 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.41 4.30 1.17 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 0.49 0.00 0.00 0.90 0.00 0.00 145 K 8.73 5.00 0.00 1.67 2.00 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.69 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.43 7.81 146 F 9.93 4.72 0.00 3.26 3.28 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 0.00 147 D 8.51 5.37 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 9.25 4.10 0.00 2.71 2.45 0.00 0.00 7.04 8.07 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 0.00 149 H 8.67 4.34 0.00 3.22 3.48 0.00 5.65 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 0.00 150 F 8.26 4.68 0.00 3.29 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 0.00 151 A 8.74 4.57 1.63 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 0.00 0.00 152 V 7.87 3.79 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 1.14 0.00 0.00 0.99 0.00 0.00 153 T 7.99 3.77 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 1.17 0.00 0.00 154 L 8.03 3.88 0.00 2.43 1.96 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 155 E 7.75 3.85 0.00 2.50 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 2.35 2.51 0.00 156 H 8.50 4.17 0.00 3.27 3.35 0.00 5.61 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 0.00 157 F 8.48 3.92 0.00 3.07 3.15 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 0.00 0.00 0.00 0.00 158 L 8.84 4.18 0.00 1.71 1.77 0.85 0.78 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 0.00 159 E 8.36 3.95 0.00 1.95 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 2.31 2.41 0.00 160 S 8.13 4.19 0.00 3.73 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.71 4.06 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 7.77 3.89 0.00 1.67 1.74 0.93 1.40 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 0.00 163 D 8.91 4.75 0.00 2.88 2.75 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 0.00 164 E 8.17 4.36 0.00 2.05 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 2.38 2.47 0.00 165 S 7.76 4.53 0.00 3.87 4.07 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 0.00 166 F 7.99 4.28 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 0.00 167 G 8.91 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 0.00 0.00 0.00 168 F 7.83 3.56 0.00 3.29 3.21 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 0.00 0.00 0.00 169 R 8.96 4.01 0.00 1.84 2.05 0.00 3.35 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 170 Q 8.29 4.15 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.67 2.45 0.00 171 H 8.24 4.34 0.00 3.26 3.58 0.00 5.87 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 0.00 172 Y 8.38 4.13 0.00 3.08 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 0.00 173 A 8.34 4.38 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.