NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2056 8.2531 123.5827 52.0377 20.2792 174.8224 *2 G 3.8449 8.2531 102.9932 46.0504 0.0000 171.7057 3 I 4.3805 8.3730 123.1183 60.0758 38.2715 175.2285 4 K 4.4243 8.3863 122.1755 55.7930 34.8417 175.1715 5 H 4.8049 7.6070 119.1020 54.2477 33.2500 172.0511 6 L 4.6271 8.6217 126.2786 53.2754 45.3452 174.4202 7 N 5.1695 8.6941 125.1386 51.5789 39.8662 173.8473 8 L 4.5654 8.8706 130.8028 53.4959 43.5151 175.6415 9 T 4.2472 8.3330 124.7197 63.8596 68.9765 174.6779 10 V 4.9259 8.3567 117.5902 59.4735 35.9489 176.5926 11 A 3.9363 8.9453 125.6310 54.9364 18.6591 178.3792 12 D 4.4572 7.7654 115.1628 52.3704 43.3910 175.7222 13 V 3.6230 8.4435 127.7048 65.9784 31.7975 177.6305 14 V 3.6075 7.9898 117.3271 66.1647 31.4735 177.7280 15 A 4.0742 8.5844 120.1041 55.0749 18.2682 179.4526 16 A 4.2455 8.1403 119.3706 55.3144 18.4302 179.6887 17 R 3.9516 8.6138 117.8881 59.7612 30.1364 178.6238 18 E 4.1871 8.3174 117.3086 59.2851 29.5402 178.8255 19 F 4.2958 8.3821 121.2581 61.3056 39.6645 177.1980 20 L 4.1991 8.3869 118.6445 57.6745 40.8892 179.4160 21 E 4.1856 8.5028 120.2525 58.7392 29.2457 179.3010 22 K 3.6162 7.8205 118.1074 59.5034 32.3586 177.8192 23 Y 3.9112 7.2431 114.3644 58.1894 38.2892 176.3370 24 F 4.4631 7.4242 115.7905 56.1510 40.2997 176.0906 25 G 4.0605 7.8140 107.0577 46.1697 0.0000 174.3775 26 L 4.4391 7.3565 119.6025 54.6796 42.2680 175.9934 27 T 4.6734 8.3348 117.7961 61.8819 71.1861 173.2653 28 C 4.7044 8.8107 127.0942 58.9786 32.0895 173.0672 29 S 4.6720 9.3636 120.7383 57.5917 63.7795 174.2242 30 G 4.3734 7.2426 109.6991 46.7106 0.0000 171.9433 31 T 5.2713 8.4533 110.1807 59.8625 72.8271 173.4773 32 R 4.3751 9.0662 122.2376 53.9246 32.1422 175.8773 33 G 3.8074 8.8373 119.9314 47.1140 0.0000 172.4463 34 N 4.7806 8.8721 120.9382 52.3988 37.6453 175.4265 35 A 4.3734 7.9393 122.3158 54.1227 19.5218 177.6167 36 F 5.2532 7.7633 116.4066 57.3200 43.0622 172.8156 37 A 4.8881 8.2108 126.5562 50.3756 22.8393 175.5316 38 V 4.1268 8.6669 121.7390 61.2493 34.7210 174.6809 *40 R 4.7187 8.2156 121.1482 56.2604 31.9466 175.5637 41 D 5.1681 8.2910 121.8105 51.6110 41.7575 176.6852 42 N 4.3994 8.6913 116.4782 56.2970 38.9392 175.0654 43 D 4.6339 8.3769 115.5684 54.0035 41.2541 177.0654 44 G 3.9566 8.1177 107.5501 44.8962 0.0000 173.7383 45 F 4.1380 8.7188 123.2129 58.2533 40.9106 173.9810 46 I 4.5152 7.8912 126.7014 59.6775 39.0031 174.4605 47 L 5.2073 8.7149 130.5868 53.6391 43.1910 175.3189 48 T 4.4922 8.7941 117.9943 60.5891 71.0788 174.4511 49 L 5.1157 8.3163 124.6583 52.1260 45.1761 174.9443 *51 K 4.6232 8.3953 120.2500 56.7115 32.8459 174.7783 52 G 4.3528 9.0291 113.0361 44.6803 0.0000 171.5704 53 K 4.5103 8.6109 118.9874 55.7551 34.2477 176.5185 54 E 3.6491 8.6356 121.9046 57.1789 27.6966 175.2198 55 V 3.7589 7.4396 117.6207 62.4616 32.5659 174.6483 56 Q 4.5110 8.1229 127.2803 54.6089 32.0463 173.2411 57 Y 4.5750 8.3761 121.7314 55.1449 40.7781 173.8730 58 P 4.4635 0.0000 0.0000 62.5326 32.1183 177.7338 59 K 3.9722 8.8303 120.8300 60.0793 32.3888 177.7899 60 T 4.3044 7.7658 106.2906 61.0540 69.3358 174.4446 61 F 4.2720 8.0916 126.0109 58.8877 39.8729 173.5958 62 H 4.6036 7.1462 121.1437 54.5160 31.5550 172.4783 63 V 4.0390 8.3057 119.5871 60.9897 33.6130 174.4037 64 G 4.2040 8.3165 114.6555 44.5677 0.0000 173.2302 65 F 4.7277 8.8668 124.2054 54.2418 39.5863 173.2637 66 P 4.4811 0.0000 0.0000 62.7300 32.0592 175.8729 67 Q 4.7849 8.4069 119.4875 53.9460 31.8326 175.6665 68 E 4.1395 8.6963 120.2286 58.6179 30.1125 177.0096 69 S 4.6805 7.4961 112.0134 56.1924 67.1493 174.7897 70 E 4.1432 8.6788 121.8070 59.3454 29.1585 179.1474 71 E 3.9989 8.1607 119.2274 59.4056 29.8023 178.7616 72 Q 4.0640 8.1089 117.7865 58.6407 28.7458 178.7265 73 V 3.7358 7.7412 119.5636 66.2379 31.6146 177.7167 74 D 4.4074 8.3702 118.5856 57.2594 40.5879 178.8335 75 K 3.9055 8.1332 119.9253 59.6213 32.1819 178.9091 76 I 3.6388 7.6815 119.8671 64.2508 36.9906 177.6734 77 N 3.5727 8.1107 117.8549 56.6765 38.5513 176.4966 78 Q 3.8768 8.2788 120.9816 59.3730 29.1430 178.6088 79 R 3.9658 8.2265 119.1928 59.0660 30.0714 178.9903 80 L 3.8196 8.0990 119.1236 57.5462 41.6125 179.3125 81 K 4.1443 7.9731 120.7915 59.2170 31.9481 178.6866 82 E 4.0726 8.2610 117.2062 58.9145 29.3821 178.0919 83 D 4.8614 7.8771 116.6617 53.9896 41.2233 177.1231 84 G 3.8369 7.9944 108.1106 45.1321 0.0000 173.7310 85 F 4.3653 8.2601 118.8110 56.1806 39.9287 175.4688 86 L 4.5015 8.4185 124.8009 53.9507 40.9285 176.6162 87 V 4.5417 7.9619 116.3697 59.2405 35.2765 175.5178 88 E 4.5017 8.3978 120.4606 53.8842 31.4821 174.0789 89 P 4.3868 0.0000 0.0000 61.9481 31.9445 174.8350 90 P 4.5375 0.0000 0.0000 62.6693 31.9776 175.9400 91 K 4.6500 8.7009 121.5235 54.9530 35.9543 175.7033 92 H 4.9175 9.1149 120.5511 55.4686 27.7710 174.1908 93 A 4.3280 9.1156 126.0088 53.0777 20.8909 176.5543 *95 A 4.0674 7.4989 116.7519 51.9531 19.6675 174.8549 96 Y 4.8681 8.7010 121.3566 57.3380 38.6529 174.9584 97 T 4.8739 8.5183 124.1236 61.8020 73.2511 173.1825 98 F 5.1425 8.4339 118.9612 55.5909 42.0634 172.6548 99 Y 5.2059 8.7441 115.8452 56.2226 41.4001 175.7432 100 V 4.6185 8.6116 120.1970 60.2343 35.3301 174.0420 101 E 4.4230 8.9172 123.6496 55.9150 30.0037 176.0465 102 A 3.6116 8.5062 127.4787 49.3560 20.7989 174.8084 103 P 4.2518 0.0000 0.0000 64.6124 31.9345 177.1475 104 G 4.0854 8.7245 110.6828 44.9433 0.0000 173.9325 105 G 4.1645 8.7364 107.3727 45.6039 0.0000 173.0230 106 F 5.1502 7.5208 111.8512 55.2360 42.3075 173.1821 107 T 4.8717 8.6092 115.7899 62.3192 70.7182 173.7309 108 I 4.9341 8.6195 126.3233 59.5286 40.3370 174.0575 109 E 4.5443 9.1015 127.3459 54.4186 31.8690 174.6975 110 V 4.4691 7.5294 125.6506 60.9225 35.2416 175.0811 *112 C 4.3173 8.5395 125.3588 59.7349 31.6325 173.2184 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 0 A 8.25 4.21 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 *2 G 8.25 3.84 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 0.00 0.00 0.00 3 I 8.37 4.38 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 1.10 0.00 0.00 4 K 8.39 4.42 0.00 1.50 1.57 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.32 7.81 5 H 7.61 4.80 0.00 2.82 2.97 0.00 5.86 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 6 L 8.62 4.63 0.00 2.04 1.64 1.02 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.69 5.17 0.00 2.79 2.74 0.00 0.00 7.18 7.78 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 8 L 8.87 4.57 0.00 1.63 1.39 0.64 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.33 4.25 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 1.22 0.00 0.00 10 V 8.36 4.93 2.34 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 0.95 0.00 0.00 1.06 0.00 0.00 11 A 8.95 3.94 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 D 7.77 4.46 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 13 V 8.44 3.62 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 0.94 0.00 0.00 1.07 0.00 0.00 14 V 7.99 3.61 2.28 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 1.04 0.00 0.00 0.98 0.00 0.00 15 A 8.58 4.07 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 0.00 0.00 0.00 0.00 0.00 16 A 8.14 4.25 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 0.00 0.00 0.00 0.00 0.00 17 R 8.61 3.95 0.00 1.95 2.24 0.00 3.12 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 18 E 8.32 4.19 0.00 2.33 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 2.66 2.47 0.00 19 F 8.38 4.30 0.00 3.40 3.40 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 20 L 8.39 4.20 0.00 2.05 1.87 1.18 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.50 4.19 0.00 2.14 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 2.53 2.33 0.00 22 K 7.82 3.62 0.00 1.55 1.19 0.00 1.59 0.00 0.00 1.27 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 1.01 7.81 23 Y 7.24 3.91 0.00 1.91 1.79 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 24 F 7.42 4.46 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 25 G 7.81 4.06 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 0.00 0.00 0.00 26 L 7.36 4.44 0.00 1.83 1.70 1.14 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.33 4.67 4.27 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 1.23 0.00 0.00 28 C 8.81 4.70 0.00 3.11 2.85 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 29 S 9.36 4.67 0.00 3.86 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 30 G 7.24 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 0.00 0.00 0.00 0.00 31 T 8.45 5.27 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 1.23 0.00 0.00 32 R 9.07 4.38 0.00 2.00 1.96 0.00 3.20 0.00 0.00 3.08 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 33 G 8.84 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 0.00 0.00 0.00 34 N 8.87 4.78 0.00 2.85 2.96 0.00 0.00 5.81 7.26 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 35 A 7.94 4.37 1.38 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 0.00 0.00 36 F 7.76 5.25 0.00 3.11 2.91 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 0.00 0.00 0.00 37 A 8.21 4.89 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.67 4.13 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 0.93 0.00 0.00 0.85 0.00 0.00 *40 R 8.22 4.72 0.00 1.88 1.92 0.00 3.17 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 41 D 8.29 5.17 0.00 2.96 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 42 N 8.69 4.40 0.00 2.75 2.92 0.00 0.00 6.85 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 43 D 8.38 4.63 0.00 2.74 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 44 G 8.12 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 0.00 0.00 0.00 45 F 8.72 4.14 0.00 3.15 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 46 I 7.89 4.52 1.71 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 0.97 1.00 0.87 0.00 0.00 47 L 8.71 5.21 0.00 1.84 1.70 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.79 4.49 4.06 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 1.22 0.00 0.00 49 L 8.32 5.12 0.00 1.52 1.63 0.98 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *51 K 8.40 4.62 0.00 1.87 1.81 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.52 7.81 52 G 9.03 4.35 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 0.00 53 K 8.61 4.51 0.00 1.74 1.73 0.00 1.93 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.35 7.81 54 E 8.64 3.65 0.00 2.03 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 2.19 2.26 0.00 55 V 7.44 3.76 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 0.85 0.00 0.00 0.97 0.00 0.00 56 Q 8.12 4.51 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.57 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 57 Y 8.38 4.58 0.00 3.14 2.89 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 0.00 0.00 0.00 58 P 0.00 4.46 0.00 2.31 2.05 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 59 K 8.83 3.97 0.00 1.87 1.98 0.00 1.60 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.40 7.81 60 T 7.77 4.30 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 1.20 0.00 0.00 61 F 8.09 4.27 0.00 3.08 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 62 H 7.15 4.60 0.00 3.14 3.12 0.00 5.54 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 63 V 8.31 4.04 2.14 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 0.51 0.00 0.00 0.72 0.00 0.00 64 G 8.32 4.20 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 0.00 0.00 0.00 65 F 8.87 4.73 0.00 2.68 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 66 P 0.00 4.48 0.00 2.06 2.01 0.00 3.56 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 1.94 1.92 0.00 67 Q 8.41 4.78 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.15 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 68 E 8.70 4.14 0.00 1.92 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 2.30 2.36 0.00 69 S 7.50 4.68 0.00 4.04 3.90 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 70 E 8.68 4.14 0.00 1.86 1.56 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 2.36 2.28 0.00 71 E 8.16 4.00 0.00 2.03 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 2.39 2.42 0.00 72 Q 8.11 4.06 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 73 V 7.74 3.74 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 1.13 0.00 0.00 1.08 0.00 0.00 74 D 8.37 4.41 0.00 3.01 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 75 K 8.13 3.91 0.00 2.02 1.90 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.48 7.81 76 I 7.68 3.64 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.77 0.00 0.00 77 N 8.11 3.57 0.00 2.08 2.71 0.00 0.00 6.89 6.83 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 78 Q 8.28 3.88 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 79 R 8.23 3.97 0.00 1.95 2.10 0.00 3.17 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 1.67 1.82 0.00 80 L 8.10 3.82 0.00 1.75 1.66 0.97 -0.31 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 81 K 7.97 4.14 0.00 1.84 1.94 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.32 7.81 82 E 8.26 4.07 0.00 2.14 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 2.53 0.00 83 D 7.88 4.86 0.00 3.19 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 84 G 7.99 3.84 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 0.00 0.00 0.00 85 F 8.26 4.37 0.00 3.18 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 86 L 8.42 4.50 0.00 1.66 1.66 0.91 0.83 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 87 V 7.96 4.54 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 0.85 0.00 0.00 0.83 0.00 0.00 88 E 8.40 4.50 0.00 2.06 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 2.27 2.34 0.00 89 P 0.00 4.39 0.00 2.03 1.99 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 90 P 0.00 4.54 0.00 0.49 1.35 0.00 3.51 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.89 0.00 91 K 8.70 4.65 0.00 1.62 1.70 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.55 7.81 92 H 9.11 4.92 0.00 3.11 3.38 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 9.12 4.33 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 *95 A 7.50 4.07 1.30 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 0.00 0.00 0.00 96 Y 8.70 4.87 0.00 2.86 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 97 T 8.52 4.87 4.08 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 0.71 0.00 0.00 98 F 8.43 5.14 0.00 2.98 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.74 5.21 0.00 2.85 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 0.00 100 V 8.61 4.62 2.32 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 1.00 0.00 0.00 0.95 0.00 0.00 101 E 8.92 4.42 0.00 1.84 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 2.31 2.26 0.00 102 A 8.51 3.61 0.22 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 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.25 0.00 2.14 2.05 0.00 2.20 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.11 0.00 104 G 8.72 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 0.00 0.00 0.00 105 G 8.74 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 0.00 0.00 0.00 0.00 106 F 7.52 5.15 0.00 3.05 2.91 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 0.00 0.00 0.00 107 T 8.61 4.87 4.47 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 0.00 0.00 0.00 1.31 0.00 0.00 108 I 8.62 4.93 1.79 0.00 0.00 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 1.33 0.71 0.60 0.00 0.00 109 E 9.10 4.54 0.00 1.86 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 1.83 1.47 0.00 110 V 7.53 4.47 0.67 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 0.94 0.00 0.00 0.71 0.00 0.00 *112 C 8.54 4.32 0.00 3.10 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 * Residues marked with a * may have inaccurate shift predictions.