NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9628 8.3549 109.7339 45.9259 0.0000 173.4658 2 S 4.5086 8.4292 113.8643 56.3858 63.2925 173.0585 3 S 4.6091 7.9329 115.4870 56.7009 65.8195 172.6881 4 M 4.0646 8.0887 119.8566 55.6840 33.1296 174.7409 5 K 4.9879 7.9281 121.0220 54.5900 36.8701 174.8687 6 I 4.9142 8.2760 120.9224 59.2047 41.7330 174.5611 7 S 4.5804 8.6770 123.8343 58.0674 63.9017 175.3845 8 R 3.9177 8.6786 122.1216 59.5689 29.7845 179.3508 9 G 3.5499 7.9827 105.1602 47.4630 0.0000 175.3019 10 L 3.9792 7.7299 122.6044 57.7921 42.0660 178.9286 11 L 3.6979 7.6517 118.9649 57.4793 41.4614 179.2853 12 K 3.8573 8.1198 119.6454 59.8777 32.0319 178.9287 13 T 3.8236 7.7509 115.8723 66.5926 68.3478 176.7247 14 I 3.6131 7.9384 121.8876 64.3938 37.1562 178.4635 15 L 3.9715 8.1732 120.1319 57.8591 41.3864 179.5207 16 E 3.8405 8.2958 118.3081 59.2712 29.4739 179.1821 17 A 3.5676 7.9060 120.7358 54.8345 18.1738 179.5771 18 A 3.6848 7.6114 119.0950 55.1293 18.1765 179.9328 19 K 3.7252 7.3531 115.6347 59.7350 32.2220 179.3144 20 S 4.1833 8.0370 111.7860 60.4880 62.5921 175.1701 21 A 4.3441 7.6491 122.3698 52.4725 19.1856 176.5742 22 H 4.3257 7.7297 116.7381 56.5641 30.1919 173.0180 23 P 4.2432 0.0000 0.0000 63.1871 31.7182 176.0995 24 D 4.5847 7.8930 119.3371 54.5399 41.4630 175.1839 25 E 4.7121 8.5434 120.7066 55.1421 31.3568 175.4581 26 F 4.6769 9.1587 127.7109 58.1217 40.9899 174.0378 27 I 4.8603 7.2349 123.3146 59.6534 41.2384 173.3163 28 A 4.5667 8.6754 129.0704 51.0829 23.5413 174.3799 29 L 5.1206 8.5376 118.6896 53.4028 44.1409 176.4797 30 L 4.8160 8.8739 123.9033 54.5138 43.6112 176.2894 31 S 4.9275 8.5828 116.9482 57.9267 67.0152 173.0374 32 G 4.1347 7.4093 104.7532 45.2316 0.0000 171.0485 33 S 4.8970 7.9353 113.8870 56.2455 66.6291 175.9353 34 K 3.6415 8.2608 122.2712 58.1867 30.8672 175.9737 35 D 5.0883 8.5069 121.4248 54.0858 40.3332 175.6579 36 V 4.4539 7.6685 117.4105 62.4344 35.1768 174.4637 37 M 4.6452 8.5800 127.7236 54.0780 32.7766 175.8465 38 D 4.8038 8.6290 120.9167 52.7910 41.5798 174.7924 39 E 4.8264 8.5443 117.4943 55.1563 34.4109 174.1267 40 L 5.0290 8.2197 120.4889 53.0158 45.5904 176.3790 41 I 4.1344 8.3835 124.0133 59.5181 38.4865 175.2619 42 F 4.7389 8.3968 126.1211 57.4100 39.8896 176.1749 43 L 4.4215 8.6666 122.7812 53.0469 41.2094 176.7666 *62 G 3.8424 8.2277 110.3128 44.6195 0.0000 170.6355 63 M 4.1884 7.8589 120.2424 54.9613 33.0455 175.0775 64 K 4.5413 8.1291 124.3726 54.9444 36.3580 174.9241 65 V 4.3056 8.0078 121.8243 61.8612 32.1079 175.5280 66 F 4.5953 9.7768 127.6049 57.6213 40.2114 176.5636 67 G 4.5480 7.4875 105.8298 46.1007 0.0000 170.8114 68 T 5.3989 7.7730 112.5040 59.9189 72.9130 173.8451 69 V 5.2172 8.6935 121.2012 60.5940 34.9915 173.9411 70 H 6.1665 9.6029 118.7817 54.3521 32.4100 172.1519 71 S 5.5980 8.9175 113.2592 57.1314 66.0868 172.8112 72 H 5.7371 9.5612 118.0962 52.6854 31.0241 173.4762 73 P 4.9362 0.0000 0.0000 63.7849 31.7060 176.1916 74 S 4.7058 7.6620 113.2020 55.8084 65.0488 172.4558 75 P 5.0927 0.0000 0.0000 63.7981 31.1785 176.5715 76 S 4.5643 7.6103 113.4853 57.6403 62.9461 172.8300 77 C 4.8612 8.7437 123.7000 56.6516 40.4382 173.5820 78 R 4.3115 7.7767 121.0446 55.2521 30.2095 174.6501 79 P 4.4345 0.0000 0.0000 62.4348 32.1036 177.0519 80 S 4.5147 8.6103 118.0095 57.3030 65.8839 175.3592 81 E 3.8716 8.4486 120.9275 59.5948 29.0880 179.4861 82 E 3.9029 7.9910 118.1039 59.3463 29.4807 178.9248 83 D 3.9093 7.7664 118.9165 57.1954 40.3848 178.7540 84 L 3.5735 7.5078 119.5723 57.6786 41.3259 179.8227 85 S 4.0886 7.4546 113.0685 61.0496 63.2555 176.1432 86 L 4.0325 7.5354 124.0121 58.0712 41.6767 178.7899 87 F 3.8877 7.9765 117.1235 60.7352 38.8589 177.4068 88 T 4.1356 7.4989 107.5439 64.1016 68.8086 176.2599 89 R 4.1321 7.7957 121.0587 58.9949 30.3193 176.4329 90 F 4.6256 7.6634 108.7761 57.1227 39.8892 173.9061 91 G 4.1985 9.1140 106.9643 46.1198 0.0000 173.4884 92 K 4.2390 8.3209 118.0152 56.5691 34.2802 175.8368 93 Y 5.0237 8.0618 117.4479 56.3701 42.2278 174.4906 94 H 5.0758 9.1286 119.6968 54.3712 32.8489 172.3826 95 I 5.0566 8.8810 124.9461 59.9151 39.7278 174.9211 96 I 5.1345 9.0340 126.1359 59.7171 40.5185 174.9011 97 V 5.2651 8.8289 120.0787 59.8039 34.7755 172.4094 98 C 5.7140 9.1445 117.3148 53.3703 41.0707 172.6408 99 Y 3.0186 8.1443 120.9165 56.9891 39.3291 174.7607 100 P 2.9700 0.0000 0.0000 62.1880 31.5036 175.2728 101 Y 3.7347 7.6145 115.6407 59.5921 35.4584 169.6024 102 D 4.9386 7.8131 118.8280 52.3454 40.8182 176.3805 103 E 3.9727 8.8088 118.3666 59.3559 29.3150 178.2228 104 N 4.8722 8.0519 112.8410 53.2151 39.6273 175.7623 105 S 4.6048 8.2239 117.4137 56.6976 62.0118 173.2897 106 W 5.7967 7.0662 115.4976 55.4629 31.3923 174.4718 107 K 4.4276 9.1906 117.9130 55.1592 36.4857 174.6626 108 C 5.2376 8.4083 122.6953 57.9549 34.6430 172.0340 109 Y 5.3531 8.8765 121.7744 56.2991 42.4178 175.4530 110 N 5.4514 9.2167 119.4238 50.8772 39.4227 175.8215 111 R 4.2784 8.3825 113.4284 58.1611 29.4441 177.0447 112 K 4.3036 8.4668 117.4209 56.2392 32.6139 177.2461 113 G 4.1153 8.5203 107.7043 45.2990 0.0000 173.3988 114 E 4.4399 8.1957 119.6676 55.2017 30.5125 175.3196 115 E 4.3863 8.9011 124.7822 56.4634 30.1863 176.1224 116 V 4.6477 8.4156 119.5176 59.4642 35.5168 175.2390 117 E 4.4287 8.6768 121.4606 56.1356 30.8411 176.2232 118 L 4.7839 8.1896 120.4324 53.1271 45.6190 175.6346 119 E 4.2674 8.7997 125.8683 55.5289 30.8927 175.3582 120 V 4.3647 8.4698 127.5776 62.5527 32.8717 175.2546 121 V 4.2304 8.6232 122.0216 59.9032 33.2438 176.2807 122 E 4.2262 8.6677 124.3942 56.3892 29.7118 176.0040 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 G 8.35 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 2 S 8.43 4.51 0.00 3.92 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 3 S 7.93 4.61 0.00 3.95 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 0.00 4 M 8.09 4.06 0.00 1.25 1.20 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.42 0.00 5 K 7.93 4.99 0.00 1.68 1.61 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.42 7.81 6 I 8.28 4.91 1.58 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.64 0.60 0.00 0.00 7 S 8.68 4.58 0.00 3.90 3.91 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 8 R 8.68 3.92 0.00 1.95 1.93 0.00 3.13 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 9 G 7.98 3.55 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 0.00 0.00 0.00 10 L 7.73 3.98 0.00 1.72 1.67 0.88 0.60 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 11 L 7.65 3.70 0.00 1.72 1.44 0.43 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.12 3.86 0.00 1.88 1.96 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 13 T 7.75 3.82 4.40 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 1.32 0.00 0.00 14 I 7.94 3.61 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.82 0.99 0.00 0.00 15 L 8.17 3.97 0.00 1.77 1.87 0.97 1.06 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 16 E 8.30 3.84 0.00 2.10 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 2.38 2.42 0.00 17 A 7.91 3.57 0.17 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 0.00 0.00 0.00 0.00 0.00 18 A 7.61 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.35 3.73 0.00 1.81 1.88 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.64 1.57 7.81 20 S 8.04 4.18 0.00 3.77 3.77 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 0.00 0.00 0.00 21 A 7.65 4.34 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 22 H 7.73 4.33 0.00 3.42 3.53 0.00 5.95 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.24 0.00 2.13 1.92 0.00 3.82 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 24 D 7.89 4.58 0.00 2.96 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 25 E 8.54 4.71 0.00 2.02 2.16 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 2.48 2.38 0.00 26 F 9.16 4.68 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 27 I 7.23 4.86 1.81 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.09 0.83 0.00 0.00 28 A 8.68 4.57 1.15 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 0.00 0.00 29 L 8.54 5.12 0.00 1.60 1.62 0.87 0.78 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 30 L 8.87 4.82 0.00 1.74 1.72 0.99 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.58 4.93 0.00 3.84 3.89 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 32 G 7.41 4.13 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 0.00 33 S 7.94 4.90 0.00 3.83 3.72 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 34 K 8.26 3.64 0.00 1.93 1.43 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.43 7.81 35 D 8.51 5.09 0.00 2.66 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 36 V 7.67 4.45 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 0.70 0.00 0.00 0.87 0.00 0.00 37 M 8.58 4.65 0.00 1.89 1.73 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.11 0.00 38 D 8.63 4.80 0.00 2.57 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 39 E 8.54 4.83 0.00 1.92 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 2.21 2.29 0.00 40 L 8.22 5.03 0.00 0.74 0.94 1.07 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.38 4.13 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.80 0.88 0.00 0.00 42 F 8.40 4.74 0.00 3.04 3.02 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 0.00 0.00 0.00 43 L 8.67 4.42 0.00 1.62 1.63 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 *62 G 8.23 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 63 M 7.86 4.19 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 64 K 8.13 4.54 0.00 1.41 1.66 0.00 1.20 0.00 0.00 1.49 0.00 0.00 2.79 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.22 0.50 7.81 65 V 8.01 4.31 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 0.90 0.00 0.00 0.84 0.00 0.00 66 F 9.78 4.60 0.00 3.07 3.18 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 67 G 7.49 4.55 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 0.00 0.00 0.00 68 T 7.77 5.40 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 1.33 0.00 0.00 69 V 8.69 5.22 2.16 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 0.93 0.00 0.00 1.13 0.00 0.00 70 H 9.60 6.17 0.00 3.40 3.43 0.00 5.49 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.92 5.60 0.00 4.17 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 72 H 9.56 5.74 0.00 3.20 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.94 0.00 2.19 2.47 0.00 3.52 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 74 S 7.66 4.71 0.00 3.98 3.89 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 75 P 0.00 5.09 0.00 2.11 2.21 0.00 3.74 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.25 0.00 76 S 7.61 4.56 0.00 3.90 3.82 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 77 C 8.74 4.86 0.00 3.08 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 78 R 7.78 4.31 0.00 1.88 1.88 0.00 3.30 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 79 P 0.00 4.43 0.00 1.77 1.54 0.00 3.53 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.86 0.00 80 S 8.61 4.51 0.00 4.00 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 81 E 8.45 3.87 0.00 1.97 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 2.34 2.35 0.00 82 E 7.99 3.90 0.00 1.92 1.92 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 2.34 2.34 0.00 83 D 7.77 3.91 0.00 2.52 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 0.00 0.00 0.00 84 L 7.51 3.57 0.00 1.69 1.59 0.84 0.50 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 85 S 7.45 4.09 0.00 4.01 3.91 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 86 L 7.54 4.03 0.00 1.71 1.69 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 87 F 7.98 3.89 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 88 T 7.50 4.14 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 1.34 0.00 0.00 89 R 7.80 4.13 0.00 2.09 2.27 0.00 3.31 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 90 F 7.66 4.63 0.00 3.09 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 91 G 9.11 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 92 K 8.32 4.24 0.00 1.39 1.18 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.41 7.81 93 Y 8.06 5.02 0.00 2.85 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 94 H 9.13 5.08 0.00 1.75 2.13 0.00 5.60 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.88 5.06 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.64 1.10 0.00 0.00 96 I 9.03 5.13 2.16 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.21 0.73 0.00 0.00 97 V 8.83 5.27 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 0.95 0.00 0.00 1.20 0.00 0.00 98 C 9.14 5.71 0.00 3.22 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 99 Y 8.14 3.02 0.00 2.84 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 0.00 100 P 0.00 2.97 0.00 1.69 0.97 0.00 3.77 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 101 Y 7.61 3.73 0.00 3.21 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 0.00 102 D 7.81 4.94 0.00 2.83 2.79 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 0.00 103 E 8.81 3.97 0.00 2.03 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 2.36 2.39 0.00 104 N 8.05 4.87 0.00 2.62 2.70 0.00 0.00 7.05 8.52 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 0.00 105 S 8.22 4.60 0.00 4.16 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 0.00 106 W 7.07 5.80 0.00 3.52 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 0.00 107 K 9.19 4.43 0.00 1.70 1.21 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.69 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 1.27 7.81 108 C 8.41 5.24 0.00 3.18 2.97 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 0.00 109 Y 8.88 5.35 0.00 2.73 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 0.00 110 N 9.22 5.45 0.00 2.86 2.96 0.00 0.00 6.64 8.50 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 0.00 111 R 8.38 4.28 0.00 2.09 2.26 0.00 2.99 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 112 K 8.47 4.30 0.00 1.96 1.91 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.38 7.81 113 G 8.52 4.12 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 0.00 0.00 0.00 114 E 8.20 4.44 0.00 2.21 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 2.44 2.36 0.00 115 E 8.90 4.39 0.00 2.01 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 2.16 2.20 0.00 116 V 8.42 4.65 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 0.84 0.00 0.00 1.08 0.00 0.00 117 E 8.68 4.43 0.00 1.85 1.86 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 2.25 2.32 0.00 118 L 8.19 4.78 0.00 1.76 1.49 0.80 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.80 4.27 0.00 2.05 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 2.27 2.25 0.00 120 V 8.47 4.36 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 0.81 0.00 0.00 1.07 0.00 0.00 121 V 8.62 4.23 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 0.77 0.00 0.00 0.90 0.00 0.00 122 E 8.67 4.23 0.00 1.92 1.81 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 2.20 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.