NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7945 8.4093 119.2162 53.8925 40.8723 173.5753 3 Y 4.7843 7.3528 113.1684 54.9329 40.2840 171.7388 4 F 4.8105 9.0686 114.8695 56.0984 41.3103 174.5604 5 I 4.2968 8.3404 121.9947 59.5359 38.5494 175.7357 6 V 4.2585 8.1223 125.5392 61.4709 32.7126 174.7074 7 E 4.6601 8.4979 122.5383 54.2855 32.1498 175.2882 8 V 4.3103 8.1315 121.0547 60.7229 33.1543 175.9621 9 S 4.3619 9.5692 123.7461 58.4822 64.8858 174.2642 10 E 4.2232 8.5551 120.7245 57.7333 29.4429 177.6122 11 Q 4.1298 7.8992 117.0820 59.0833 29.1134 177.8180 12 E 3.9212 7.9441 120.6709 59.2758 29.4705 179.3730 13 V 3.5950 7.6924 117.9258 65.6689 31.5584 178.3464 14 K 3.9130 7.8681 117.9016 59.4011 31.8844 179.0661 15 R 3.8655 8.1155 119.1791 59.6958 29.9712 178.1453 16 E 3.9047 8.1508 118.8489 59.1495 29.7291 178.7708 17 K 4.0990 8.2550 118.2590 58.5122 31.8940 179.0037 18 E 4.1907 8.0471 119.1640 58.8452 29.8764 178.7907 19 K 3.9255 8.3279 118.3865 59.0780 31.8884 179.4058 20 A 3.8725 7.8067 120.9005 55.2943 18.2751 179.9360 21 R 3.8185 7.5756 114.9680 58.9312 29.7820 178.6629 22 E 4.1698 7.6451 118.5098 58.5150 29.8827 177.7948 23 L 4.1726 7.6252 119.7558 57.8138 42.1841 178.5480 24 R 3.5338 8.0729 118.6472 58.1723 31.2107 177.8119 25 R 4.5255 7.2996 118.3718 53.7636 27.7711 176.1888 26 S 4.8142 7.1688 113.2577 55.6803 67.1304 175.3124 27 Q 4.0166 9.1743 122.4211 59.3502 28.5668 179.1763 28 W 4.3163 8.5050 128.4365 60.5960 30.5442 177.6146 29 W 3.4307 8.3433 127.3782 60.1547 29.9771 178.3300 30 K 3.8449 8.5432 118.6612 58.9979 31.1312 178.9289 31 N 4.1659 8.0221 117.5591 56.4217 38.9908 176.6243 32 R 3.6281 6.9340 119.8871 59.0570 30.0867 178.2791 33 I 3.4827 6.7843 111.7248 62.7685 37.4533 177.8867 34 A 3.9209 7.0354 122.3504 55.1402 17.0536 179.4665 35 R 3.9643 7.6658 116.7853 57.1332 29.9382 178.6070 36 G 3.9232 7.6025 105.0578 45.8610 0.0000 172.5396 37 I 4.6559 6.9298 120.4454 59.8283 38.2691 175.0835 38 C 4.4303 8.8642 126.1844 58.6754 31.8367 173.5422 39 H 3.9168 8.8497 128.2921 59.4149 29.2329 175.5255 40 Y 4.5745 7.5000 116.0945 60.3578 38.3563 176.3116 41 C 4.1685 8.2406 113.9072 58.7674 30.5598 175.2263 42 G 3.9189 8.3741 108.1526 45.9411 0.0000 173.0957 43 E 4.3504 7.7257 121.7029 55.5944 31.5251 174.9198 44 I 5.1155 7.8095 122.2986 59.6575 39.2480 175.3605 45 F 4.9429 9.3682 124.3157 54.8048 43.9470 172.6085 46 P 4.5354 0.0000 0.0000 61.6155 31.6803 176.1833 47 P 4.3329 0.0000 0.0000 65.0325 31.2704 176.5073 48 E 4.4092 8.0073 117.7130 57.8460 30.6370 177.0806 49 E 4.4433 8.4438 116.0577 56.5316 29.2305 176.2243 50 L 5.0466 7.3799 119.0135 53.4889 45.6096 177.1867 51 T 4.7142 8.6468 117.9240 63.9403 71.0458 176.5777 *53 D 4.6583 8.9402 129.5132 55.4259 42.7627 171.7313 54 H 5.2871 8.5828 119.6718 54.2722 30.0213 174.5950 55 L 4.2029 9.1911 125.0489 57.6497 42.0717 177.7774 56 V 4.1007 7.6560 119.9430 60.3857 32.3169 173.4923 57 P 4.5165 0.0000 0.0000 62.5435 31.9331 177.7462 58 V 3.9793 8.1351 120.1776 65.4809 31.5924 177.7449 59 V 3.9113 7.6339 116.6276 63.9628 31.5330 175.9681 60 R 4.5156 8.1605 117.4915 56.5653 30.6304 176.7898 61 G 3.9717 8.0666 108.8806 45.0699 0.0000 175.2019 62 G 4.1797 7.7304 107.8963 45.2358 0.0000 172.6889 63 K 4.9004 7.8473 119.1207 54.6511 34.5342 177.6075 64 S 4.6222 8.7701 118.9828 57.3714 61.4641 173.8229 65 T 4.6817 7.4429 113.2540 59.0661 72.2969 175.8910 66 R 3.8204 8.6395 121.5713 59.5636 29.9996 178.8018 67 G 3.7013 8.0203 104.7538 47.7955 0.0000 173.5122 68 N 4.6685 7.7483 116.3849 53.4810 39.6862 174.0287 69 V 4.8278 7.5170 117.6725 62.3873 33.2446 175.2980 70 V 4.7678 8.2644 124.0798 60.0898 34.5277 171.1985 71 P 5.2403 0.0000 0.0000 62.5409 32.9116 174.6767 72 A 5.1763 9.2927 124.6945 50.1655 23.2335 175.3948 73 C 4.3159 8.3890 114.4063 56.7334 31.1713 174.2830 74 K 3.7621 8.4545 120.0123 60.1505 31.4311 178.0028 75 E 3.9831 8.2133 117.5726 59.9954 29.4662 179.3123 76 C 4.3963 8.1880 115.9401 62.6451 28.0087 175.6111 77 N 4.2506 8.1191 117.9795 56.7518 38.9474 176.5273 78 N 4.4432 8.0627 117.6787 56.5898 38.8903 177.6539 79 R 2.7944 7.7711 119.2361 58.7608 29.8061 178.7453 80 K 2.5682 7.1750 117.6177 57.6937 32.0074 178.0646 81 K 4.1217 7.7708 118.0396 57.4888 32.9053 176.6783 82 Y 4.5637 7.3069 114.1544 56.7608 39.0948 175.4343 83 L 4.6587 7.0034 120.6745 53.5976 43.2307 176.4229 84 L 4.4106 8.7421 121.6124 53.4709 42.9350 176.4423 85 P 4.2632 0.0000 0.0000 66.3073 31.0910 179.0840 86 V 3.8846 7.8164 110.1246 63.8095 31.7677 178.1348 87 E 4.1409 8.4590 118.5235 58.4300 29.2727 178.9444 88 W 4.2298 8.0826 128.4087 60.4605 30.9501 177.3427 89 E 3.8341 8.3005 118.5384 59.8839 28.8181 179.5295 90 E 3.8935 7.7260 116.6865 59.4316 29.5101 178.6608 91 Y 4.1188 7.5159 118.7268 60.8432 39.1405 177.6378 92 L 3.5679 7.7418 120.3613 57.4952 41.4485 178.9972 93 D 4.4973 8.3712 115.2567 55.2598 40.4615 177.0037 94 S 4.6155 8.0807 113.4756 58.0633 63.5033 175.3563 95 L 3.7815 7.7665 119.5836 55.6299 41.3796 178.1707 96 E 3.7218 7.9669 117.4376 56.0010 27.9458 174.7613 97 S 3.5989 7.6711 112.1604 58.8265 61.3400 171.9876 98 E 4.0474 7.5850 124.4924 56.8389 29.2421 176.5219 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 N 8.41 4.79 0.00 2.85 3.30 0.00 0.00 6.83 6.66 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 3 Y 7.35 4.78 0.00 3.19 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 4 F 9.07 4.81 0.00 3.16 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 5 I 8.34 4.30 1.93 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 1.33 0.77 0.93 0.00 0.00 6 V 8.12 4.26 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 0.86 0.00 0.00 0.96 0.00 0.00 7 E 8.50 4.66 0.00 2.06 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 2.17 2.26 0.00 8 V 8.13 4.31 2.06 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 0.91 0.00 0.00 1.00 0.00 0.00 9 S 9.57 4.36 0.00 4.04 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 10 E 8.56 4.22 0.00 2.04 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 2.34 2.34 0.00 11 Q 7.90 4.13 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 12 E 7.94 3.92 0.00 2.17 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 2.32 2.30 0.00 13 V 7.69 3.60 2.06 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 1.07 0.00 0.00 0.98 0.00 0.00 14 K 7.87 3.91 0.00 2.08 1.82 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.43 7.81 15 R 8.12 3.87 0.00 1.91 1.92 0.00 3.08 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 16 E 8.15 3.90 0.00 2.33 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 2.42 2.42 0.00 17 K 8.26 4.10 0.00 2.06 1.82 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.57 7.81 18 E 8.05 4.19 0.00 2.17 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 2.28 2.46 0.00 19 K 8.33 3.93 0.00 1.76 1.84 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.79 7.81 20 A 7.81 3.87 1.36 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 21 R 7.58 3.82 0.00 2.04 1.98 0.00 3.10 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 22 E 7.65 4.17 0.00 1.90 2.12 0.00 0.00 0.00 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 2.36 0.00 23 L 7.63 4.17 0.00 1.85 1.76 0.95 1.02 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 24 R 8.07 3.53 0.00 1.69 1.99 0.00 3.25 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.36 0.00 25 R 7.30 4.53 0.00 2.03 1.93 0.00 3.21 0.00 0.00 3.29 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 26 S 7.17 4.81 0.00 4.11 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 0.00 27 Q 9.17 4.02 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 28 W 8.51 4.32 0.00 3.46 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 29 W 8.34 3.43 0.00 3.63 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 30 K 8.54 3.84 0.00 2.07 1.80 0.00 1.90 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.53 7.81 31 N 8.02 4.17 0.00 2.84 2.65 0.00 0.00 7.13 7.54 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 32 R 6.93 3.63 0.00 1.02 0.85 0.00 2.97 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.24 0.00 33 I 6.78 3.48 1.61 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.27 0.25 0.00 0.00 34 A 7.04 3.92 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 35 R 7.67 3.96 0.00 1.86 1.91 0.00 3.08 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 36 G 7.60 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 37 I 6.93 4.66 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.87 0.93 0.00 0.00 38 C 8.86 4.43 0.00 2.89 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 39 H 8.85 3.92 0.00 2.96 2.88 0.00 5.99 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.50 4.57 0.00 3.26 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.24 4.17 0.00 3.14 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 42 G 8.37 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 43 E 7.73 4.35 0.00 2.13 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 1.82 2.13 0.00 44 I 7.81 5.12 1.75 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 1.33 0.70 0.94 0.00 0.00 45 F 9.37 4.94 0.00 2.91 2.95 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 46 P 0.00 4.54 0.00 2.23 1.99 0.00 3.93 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 47 P 0.00 4.33 0.00 2.12 2.25 0.00 3.75 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 1.99 2.00 0.00 48 E 8.01 4.41 0.00 2.11 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 2.39 0.00 49 E 8.44 4.44 0.00 2.10 2.06 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 2.41 2.35 0.00 50 L 7.38 5.05 0.00 1.54 1.53 0.82 0.46 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 51 T 8.65 4.71 4.30 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 1.25 0.00 0.00 *53 D 8.94 4.66 0.00 3.13 2.76 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 54 H 8.58 5.29 0.00 3.04 3.39 0.00 5.77 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 9.19 4.20 0.00 1.54 1.80 0.96 0.96 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 56 V 7.66 4.10 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 1.03 0.00 0.00 0.95 0.00 0.00 57 P 0.00 4.52 0.00 2.17 1.91 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 58 V 8.14 3.98 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 1.25 0.00 0.00 0.64 0.00 0.00 59 V 7.63 3.91 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 0.82 0.00 0.00 0.90 0.00 0.00 60 R 8.16 4.52 0.00 1.88 1.83 0.00 3.33 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 61 G 8.07 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 62 G 7.73 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 0.00 0.00 0.00 0.00 63 K 7.85 4.90 0.00 1.80 1.81 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.21 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.51 7.81 64 S 8.77 4.62 0.00 3.84 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 0.00 65 T 7.44 4.68 4.16 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 1.18 0.00 0.00 66 R 8.64 3.82 0.00 1.47 1.72 0.00 2.21 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.73 0.00 67 G 8.02 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 0.00 0.00 0.00 68 N 7.75 4.67 0.00 2.92 2.96 0.00 0.00 6.62 7.59 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 69 V 7.52 4.83 2.41 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 0.96 0.00 0.00 0.71 0.00 0.00 70 V 8.26 4.77 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 0.49 0.00 0.00 0.57 0.00 0.00 71 P 0.00 5.24 0.00 1.97 1.70 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.64 0.00 72 A 9.29 5.18 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 73 C 8.39 4.32 0.00 2.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.45 3.76 0.00 1.85 1.90 0.00 1.79 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.59 7.81 75 E 8.21 3.98 0.00 2.22 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 0.00 2.53 2.56 0.00 76 C 8.19 4.40 0.00 3.20 3.34 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 77 N 8.12 4.25 0.00 2.91 2.98 0.00 0.00 7.27 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 78 N 8.06 4.44 0.00 2.85 3.01 0.00 0.00 7.10 7.82 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 79 R 7.77 2.79 0.00 1.66 1.49 0.00 2.21 0.00 0.00 2.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.70 0.00 80 K 7.17 2.57 0.00 0.79 1.30 0.00 0.65 0.00 0.00 1.41 0.00 0.00 3.09 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.61 0.21 7.81 81 K 7.77 4.12 0.00 1.78 1.78 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.42 7.81 82 Y 7.31 4.56 0.00 2.93 3.03 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 83 L 7.00 4.66 0.00 1.70 1.67 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.74 4.41 0.00 1.72 1.60 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.26 0.00 2.18 2.18 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 86 V 7.82 3.88 2.12 0.00 0.00 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 0.97 0.00 0.00 87 E 8.46 4.14 0.00 2.21 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 2.38 2.36 0.00 88 W 8.08 4.23 0.00 3.30 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 89 E 8.30 3.83 0.00 2.15 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 2.39 2.47 0.00 90 E 7.73 3.89 0.00 2.05 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 2.35 2.45 0.00 91 Y 7.52 4.12 0.00 2.95 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 92 L 7.74 3.57 0.00 1.54 1.40 0.84 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.37 4.50 0.00 2.56 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 94 S 8.08 4.62 0.00 3.82 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 95 L 7.77 3.78 0.00 1.56 1.58 0.70 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.97 3.72 0.00 2.00 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 2.16 2.37 0.00 97 S 7.67 3.60 0.00 3.95 3.87 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 98 E 7.59 4.05 0.00 1.90 1.82 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 2.30 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.