NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4585 8.3344 115.4127 57.7925 63.4190 173.5687 2 K 4.3374 7.8425 121.5596 57.4801 33.8814 173.3204 3 Q 4.5900 7.5091 115.1711 53.8837 33.4165 171.8855 4 P 4.5998 0.0000 0.0000 62.2665 30.0789 175.6101 5 D 5.6804 8.2916 135.0000 55.8342 40.3896 178.9621 6 K 3.9805 7.2418 117.9635 59.0513 31.7773 178.8787 7 Q 3.9890 8.1819 118.4420 59.0812 28.5842 178.6496 8 R 3.9166 8.0220 117.9841 60.3532 30.3003 178.4611 9 K 3.7410 8.3808 115.9138 60.6882 31.9514 178.9418 10 S 4.0762 8.9021 114.0634 61.9629 63.1318 176.1231 11 Q 3.9037 7.7049 122.6450 58.4073 28.8593 178.5073 12 R 4.5092 8.1628 114.0910 56.4702 30.8270 177.4586 13 R 4.1836 8.0735 117.9860 59.3305 30.9131 176.4948 14 A 4.6049 8.0910 123.7911 50.3665 19.1886 174.4269 15 P 4.2009 0.0000 0.0000 63.3978 31.6459 176.7333 16 L 4.6440 8.8520 124.2997 58.2985 42.0121 179.4968 17 H 4.0896 8.5295 115.2418 58.7344 28.3691 177.3289 18 E 3.9467 9.6372 120.6531 59.5806 29.3877 179.2562 19 R 3.7938 8.0469 118.0438 59.7396 30.1475 178.0676 20 H 4.1045 8.3897 117.9753 59.2985 29.7068 177.0004 21 K 3.7713 8.5751 121.2559 60.1054 31.9120 178.2561 22 Q 3.9519 8.3400 118.4061 59.0751 28.9300 178.9788 23 V 3.6117 8.3625 116.3234 66.3364 31.9239 176.1586 24 R 3.9200 7.0601 117.0720 54.7347 32.2421 176.1755 25 A 4.3334 7.2253 128.2521 52.1777 23.4231 179.4350 26 T 4.0188 7.8524 114.3318 64.9397 71.0881 170.6908 27 L 5.3702 8.2737 119.1992 56.9128 43.4971 175.4395 28 S 4.1928 7.5036 107.2894 56.8584 67.5039 172.4989 29 A 4.3065 8.3801 119.2655 51.5903 21.3155 180.3739 30 D 4.3040 8.6568 106.8507 54.3139 41.6379 180.0047 31 L 4.1854 4.0000 114.4106 57.8157 42.4706 177.4843 32 R 3.8440 7.9419 116.8597 60.2823 30.3211 178.3895 33 E 3.8643 8.6140 116.6223 59.7323 29.5514 178.9457 34 E 3.5717 7.5571 120.2170 58.3832 29.5696 175.5189 35 Y 4.5837 6.9189 119.4322 56.4298 43.1336 175.0005 36 G 4.5962 8.5082 104.0768 45.6880 0.0000 172.0610 *40 V 4.1998 7.7080 117.3082 63.4288 32.6421 172.7200 41 R 4.3159 8.7728 128.1739 56.2969 30.2288 176.1443 42 V 4.3470 7.8605 121.6678 62.3495 32.8760 175.8367 43 N 4.7461 8.6966 111.9992 52.5624 41.7690 175.5574 44 A 3.6202 7.7004 119.7386 52.8780 18.2414 177.6088 45 G 3.9561 7.6029 110.6729 45.1235 0.0000 171.0454 46 D 5.8500 8.0884 125.6137 52.5050 45.6345 173.4899 47 T 4.7169 10.1112 114.1955 61.7425 69.1611 173.6434 48 V 5.0529 8.5137 125.1467 62.1211 36.0667 172.2825 49 E 5.1100 9.2155 123.3015 54.2964 33.4592 174.1017 50 V 4.5793 8.6899 126.1990 61.5940 32.9889 175.7642 51 L 4.8779 8.5356 127.8302 55.6484 41.5295 176.0911 52 R 4.3544 7.8109 118.2385 56.6558 33.8019 174.5538 53 G 4.2030 8.5286 107.4208 44.9505 0.0000 174.2713 54 D 4.2820 8.4253 118.4365 57.6121 40.5950 178.9146 55 F 4.6212 7.3213 112.5257 58.3122 38.8246 175.1448 56 A 4.5111 8.6439 123.7886 52.8775 18.8696 177.9083 57 G 3.9955 8.6316 108.5043 47.1202 0.0000 173.3449 58 E 4.8358 7.6838 118.2345 53.6305 33.2949 175.0399 59 E 4.4016 8.9124 125.3575 56.3549 30.4946 176.0725 60 G 4.2315 8.9800 110.4356 45.2270 0.0000 171.0385 61 E 5.0847 8.5148 119.0564 54.1020 32.7005 175.7192 62 V 3.9639 8.4193 124.5434 63.3314 31.7426 174.2672 63 I 4.3112 8.9457 127.5970 62.4201 39.0718 175.5895 64 N 4.8034 7.8549 122.8311 51.2962 40.5059 173.9482 65 V 3.8978 8.4234 125.2335 62.3565 32.0646 176.1861 66 D 5.0311 8.1159 129.6800 52.7782 39.8102 177.3566 67 L 3.9618 7.9468 120.6408 57.4093 42.7357 178.9354 68 D 4.1635 8.0358 114.1155 58.3633 40.7421 177.4194 69 K 3.9485 8.4375 118.3516 57.2747 33.0334 176.2944 70 A 4.1331 8.8914 120.2169 52.8911 15.9753 177.2931 71 V 4.3413 7.7524 120.2300 63.0617 36.5354 171.5916 72 I 5.8343 8.1990 119.9336 61.0424 42.5071 173.5593 73 H 5.1710 9.3232 120.0182 54.0994 31.6462 173.5483 74 V 4.8307 8.1865 122.1657 60.9410 33.6810 174.7626 75 E 3.9840 8.9609 126.4877 59.6368 28.6154 177.7038 76 D 4.1253 7.3583 117.6747 55.6315 41.9775 174.2102 77 V 3.4309 7.3884 121.8584 62.8418 31.7098 174.5386 78 T 5.0672 7.3369 112.7319 59.3282 72.6708 173.1116 79 L 4.8491 8.8074 122.8476 53.6483 46.1234 174.9619 80 E 4.8245 8.5877 121.9501 54.4115 31.7025 177.9572 81 K 4.3398 8.4559 123.0960 56.6510 33.4667 175.7311 82 T 4.4689 8.3439 111.2903 65.3377 70.5221 175.3316 83 D 4.5426 8.3556 120.0121 55.2540 42.4281 177.4291 84 G 4.1819 9.4355 109.4739 45.5276 0.0000 173.9918 85 E 3.4490 7.6403 119.1404 53.5625 32.0778 174.4305 86 E 4.7330 8.3760 123.7145 55.7436 31.2118 175.5005 87 V 4.6077 8.4309 120.5714 60.7276 35.6476 171.2530 88 P 4.5086 0.0000 0.0000 63.5182 31.3690 176.1932 89 R 4.4105 8.4077 122.7260 54.8318 31.4568 174.5999 90 P 4.5564 0.0000 0.0000 62.7996 32.1484 175.5483 91 L 4.4421 8.4437 126.1816 52.9805 43.4976 176.0599 92 D 4.6977 9.3493 125.1016 54.9367 40.1337 178.9238 93 T 3.5029 8.3317 113.4666 64.3978 71.4881 176.9673 94 S 3.9163 7.2850 115.9791 57.9118 63.5891 174.4791 95 N 5.0670 8.3596 117.4175 52.7820 40.0281 174.6366 96 V 4.1442 8.2109 120.6480 62.7381 32.0275 175.2842 97 R 4.6376 8.8379 128.2334 54.5497 32.2531 176.3087 98 V 4.1630 8.6189 124.1947 63.3662 33.2013 174.3460 99 T 4.8773 8.9057 119.5354 64.5615 74.7356 173.5844 100 D 4.3388 8.2970 135.0000 55.0397 41.4144 176.2804 101 L 4.5867 8.4973 125.9739 54.2570 41.6388 174.2987 102 D 4.4439 10.4314 126.0985 54.6405 41.0404 177.9428 103 L 4.8325 8.4824 120.0693 54.3370 45.9855 178.1478 104 E 3.8559 8.4586 117.7850 59.0862 29.6979 176.8959 105 D 4.5591 8.1527 118.6215 53.8198 40.3840 176.8763 106 E 3.8875 8.8716 125.3726 59.5579 29.4707 179.9041 107 K 3.9953 8.0368 117.8229 59.2631 32.1298 179.3486 108 R 4.0394 8.2940 120.1834 58.8687 29.9624 178.1337 109 E 4.0513 8.6453 119.3073 58.5722 29.2925 178.3519 110 A 3.9379 8.1900 120.8944 55.3445 18.6246 179.4214 111 R 4.0115 8.0762 115.8369 58.8019 30.3496 177.2836 112 L 4.4929 8.1219 114.2892 53.8461 41.4093 175.9016 113 E 4.7682 8.3065 126.9116 57.5773 31.4284 176.3298 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 S 8.33 4.46 0.00 3.99 3.98 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 0.00 0.00 0.00 2 K 7.84 4.34 0.00 1.77 1.75 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.47 7.81 3 Q 7.51 4.59 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 4 P 0.00 4.60 0.00 2.18 2.10 0.00 3.92 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 1.98 1.95 0.00 5 D 8.29 5.68 0.00 2.89 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 6 K 7.24 3.98 0.00 1.99 1.85 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.21 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.49 7.81 7 Q 8.18 3.99 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 8 R 8.02 3.92 0.00 1.85 1.99 0.00 3.25 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 9 K 8.38 3.74 0.00 1.94 1.78 0.00 1.56 0.00 0.00 1.94 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.54 7.81 10 S 8.90 4.08 0.00 4.03 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 11 Q 7.70 3.90 0.00 2.05 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 12 R 8.16 4.51 0.00 1.97 2.01 0.00 3.11 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 13 R 8.07 4.18 0.00 1.99 2.02 0.00 3.15 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 14 A 8.09 4.60 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 15 P 0.00 4.20 0.00 2.50 2.09 0.00 3.95 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 16 L 8.85 4.64 0.00 1.81 1.75 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.53 4.09 0.00 3.24 3.43 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 9.64 3.95 0.00 2.39 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 2.34 2.37 0.00 19 R 8.05 3.79 0.00 2.04 2.03 0.00 3.40 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 20 H 8.39 4.10 0.00 3.14 3.60 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.58 3.77 0.00 1.93 2.03 0.00 1.38 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.52 7.81 22 Q 8.34 3.95 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 23 V 8.36 3.61 2.42 0.00 0.00 0.00 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 0.96 0.00 0.00 24 R 7.06 3.92 0.00 2.02 1.83 0.00 3.25 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 25 A 7.23 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.85 4.02 4.26 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 1.24 0.00 0.00 27 L 8.27 5.37 0.00 1.84 1.84 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.50 4.19 0.00 4.08 3.74 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 29 A 8.38 4.31 1.21 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 0.00 0.00 30 D 8.66 4.30 0.00 3.05 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 4.00 4.19 0.00 1.71 1.87 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.94 3.84 0.00 2.10 1.98 0.00 3.23 0.00 0.00 3.21 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 33 E 8.61 3.86 0.00 2.13 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 0.00 2.15 2.43 0.00 34 E 7.56 3.57 0.00 1.16 1.12 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 2.07 2.25 0.00 35 Y 6.92 4.58 0.00 2.96 2.52 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 36 G 8.51 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.71 4.20 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 1.17 0.00 0.00 0.99 0.00 0.00 41 R 8.77 4.32 0.00 1.96 1.88 0.00 3.30 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 42 V 7.86 4.35 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 0.86 0.00 0.00 0.96 0.00 0.00 43 N 8.70 4.75 0.00 2.74 2.86 0.00 0.00 6.86 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 44 A 7.70 3.62 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 45 G 7.60 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 46 D 8.09 5.85 0.00 2.68 2.50 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 47 T 10.11 4.72 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 1.26 0.00 0.00 48 V 8.51 5.05 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 0.89 0.00 0.00 0.98 0.00 0.00 49 E 9.22 5.11 0.00 1.99 1.71 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 2.21 2.38 0.00 50 V 8.69 4.58 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 1.13 0.00 0.00 0.97 0.00 0.00 51 L 8.54 4.88 0.00 1.70 1.74 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.81 4.35 0.00 1.86 1.85 0.00 3.62 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 53 G 8.53 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 54 D 8.43 4.28 0.00 2.04 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 0.00 0.00 0.00 0.00 55 F 7.32 4.62 0.00 3.04 3.20 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 56 A 8.64 4.51 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 57 G 8.63 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 0.00 0.00 0.00 58 E 7.68 4.84 0.00 2.27 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 2.50 2.28 0.00 59 E 8.91 4.40 0.00 2.01 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 2.27 2.30 0.00 60 G 8.98 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 0.00 0.00 0.00 61 E 8.51 5.08 0.00 2.09 1.83 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 0.00 2.28 2.32 0.00 62 V 8.42 3.96 2.39 0.00 0.00 0.00 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 0.93 0.00 0.00 63 I 8.95 4.31 1.88 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 1.31 0.99 0.91 0.00 0.00 64 N 7.85 4.80 0.00 2.90 2.73 0.00 0.00 6.61 7.68 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 65 V 8.42 3.90 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 0.76 0.00 0.00 0.95 0.00 0.00 66 D 8.12 5.03 0.00 2.67 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 67 L 7.95 3.96 0.00 1.69 1.73 0.90 1.00 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 68 D 8.04 4.16 0.00 2.74 2.48 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 69 K 8.44 3.95 0.00 1.79 1.86 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.44 7.81 70 A 8.89 4.13 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 71 V 7.75 4.34 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 0.83 0.00 0.00 1.08 0.00 0.00 72 I 8.20 5.83 1.89 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 1.43 1.06 1.04 0.00 0.00 73 H 9.32 5.17 0.00 3.17 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.19 4.83 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 0.83 0.00 0.00 0.98 0.00 0.00 75 E 8.96 3.98 0.00 2.09 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 2.48 2.41 0.00 76 D 7.36 4.13 0.00 2.73 2.52 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 77 V 7.39 3.43 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 0.88 0.00 0.00 0.87 0.00 0.00 78 T 7.34 5.07 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 1.22 0.00 0.00 79 L 8.81 4.85 0.00 1.78 1.49 1.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.59 4.82 0.00 2.00 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 2.23 2.27 0.00 81 K 8.46 4.34 0.00 1.80 1.88 0.00 2.09 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.42 7.81 82 T 8.34 4.47 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 1.22 0.00 0.00 83 D 8.36 4.54 0.00 2.65 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 84 G 9.44 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 85 E 7.64 3.45 0.00 2.06 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 2.35 2.38 0.00 86 E 8.38 4.73 0.00 1.98 1.84 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 2.45 2.28 0.00 87 V 8.43 4.61 2.09 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 0.98 0.00 0.00 0.93 0.00 0.00 88 P 0.00 4.51 0.00 2.35 2.10 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 89 R 8.41 4.41 0.00 1.74 1.89 0.00 2.92 0.00 0.00 3.43 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.46 0.00 90 P 0.00 4.56 0.00 2.12 2.15 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 91 L 8.44 4.44 0.00 1.81 1.64 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 92 D 9.35 4.70 0.00 2.83 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.33 3.50 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 1.27 0.00 0.00 94 S 7.29 3.92 0.00 3.89 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 0.00 95 N 8.36 5.07 0.00 2.68 2.76 0.00 0.00 6.67 7.03 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 96 V 8.21 4.14 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 0.75 0.00 0.00 0.97 0.00 0.00 97 R 8.84 4.64 0.00 1.80 1.82 0.00 3.18 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.89 0.00 98 V 8.62 4.16 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 1.07 0.00 0.00 0.95 0.00 0.00 99 T 8.91 4.88 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 1.22 0.00 0.00 100 D 8.30 4.34 0.00 2.56 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 0.00 101 L 8.50 4.59 0.00 1.84 1.73 1.20 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 102 D 10.43 4.44 0.00 2.83 2.67 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 0.00 103 L 8.48 4.83 0.00 1.70 1.62 1.06 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.46 3.86 0.00 1.93 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 2.33 2.44 0.00 105 D 8.15 4.56 0.00 2.82 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 0.00 106 E 8.87 3.89 0.00 2.00 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 2.41 2.45 0.00 107 K 8.04 4.00 0.00 1.79 1.84 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.52 7.81 108 R 8.29 4.04 0.00 2.02 2.22 0.00 3.44 0.00 0.00 3.42 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.50 0.00 109 E 8.65 4.05 0.00 2.03 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 0.00 2.38 2.37 0.00 110 A 8.19 3.94 1.37 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 0.00 111 R 8.08 4.01 0.00 1.77 1.93 0.00 3.39 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 1.59 1.60 0.00 112 L 8.12 4.49 0.00 1.75 1.61 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.31 4.77 0.00 2.21 1.90 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 2.16 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.