NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5062 8.1749 117.3744 63.5578 70.0921 173.1173 2 S 4.5604 9.4093 121.1040 55.2282 66.5934 171.5976 3 I 5.3202 8.1704 118.0200 59.7206 41.2244 173.8892 4 M 4.8632 8.8336 119.3308 54.4746 34.8509 173.1695 5 A 5.1635 8.4611 120.9572 50.2852 22.4564 175.5879 6 V 4.5072 9.0840 122.1090 61.2033 34.6617 175.0405 7 T 4.7917 8.7431 118.3137 61.2411 70.1553 173.6135 8 F 4.9126 8.8574 117.7488 55.2952 41.2471 174.7344 9 K 3.7520 9.0561 121.1062 60.0177 31.5687 176.9377 10 D 4.6067 7.8590 114.1733 53.7152 42.5490 176.5485 11 G 4.3094 5.3800 111.8441 44.8247 0.0000 176.0824 12 V 5.1356 7.9097 120.7456 60.2322 33.8812 172.6764 13 I 4.6585 9.0046 122.6939 59.6080 40.5164 174.3622 14 L 5.1342 8.5397 125.5328 53.1626 43.9916 175.9896 15 G 4.3462 9.1317 108.6681 45.0975 0.0000 171.0716 16 A 5.1817 8.2019 120.7025 50.9460 22.1678 175.7193 17 D 4.7812 8.5910 120.6031 52.2108 41.7578 176.1036 18 S 4.9705 8.3091 110.4445 57.1656 64.0814 172.9823 19 R 5.0844 8.6976 121.2883 55.7154 31.8242 175.0828 20 T 4.7955 8.8389 116.4340 60.0267 71.4177 172.9792 21 T 5.0935 8.6488 115.3841 60.0574 72.0098 174.1701 22 T 4.4830 8.6776 113.1635 60.1312 69.8971 174.7969 23 G 4.1015 8.2573 122.1397 47.0443 0.0000 173.8016 24 A 4.3011 8.6285 126.7149 52.8912 19.4242 177.0444 25 Y 4.3208 7.6059 117.0308 56.9900 39.4654 174.6993 26 I 4.2997 7.2848 127.6626 59.6529 36.6479 175.4104 27 A 4.0754 8.1854 130.1836 54.4778 18.6711 177.6614 28 N 4.8461 7.8621 113.6529 52.4101 41.8857 174.6080 29 R 4.5867 8.6079 120.6272 56.2563 30.4006 176.2465 30 V 4.5903 8.1989 112.7016 61.4346 32.1227 176.2676 31 T 3.9859 8.4022 117.0562 63.9267 69.8239 173.7083 32 D 4.7198 8.6274 124.7908 52.7901 41.8818 175.5458 33 K 4.4004 8.6304 124.0143 56.5380 33.5727 176.0690 34 L 5.0088 8.0681 121.1514 53.7294 42.7344 175.9940 35 T 4.5904 8.8629 121.3196 61.5029 71.6012 173.7676 36 R 3.2012 7.8062 125.9893 55.0857 30.6158 176.2182 37 V 4.2191 7.5245 117.1605 61.3204 33.5432 174.7081 38 H 4.4776 7.6528 117.4252 55.1964 32.4695 173.8563 39 D 4.5439 8.4778 123.4391 57.2262 40.7160 179.6051 40 K 5.0167 8.1886 117.1276 56.1391 34.0450 175.6628 41 I 5.1712 8.4174 121.1780 59.8708 40.8240 174.8038 42 W 5.3059 9.7138 127.3165 54.9207 33.3879 174.1339 43 C 5.2876 9.4346 114.4853 57.2825 33.2311 172.6095 44 C 5.3109 9.3506 118.1025 58.1923 30.3096 173.0800 45 R 5.0900 8.5641 123.0406 54.5520 31.7894 175.7835 46 S 4.5731 8.8420 116.5381 56.7921 66.8351 173.6821 47 G 4.1384 8.9763 105.7897 44.4071 0.0000 175.2806 48 S 4.2497 9.7386 120.2904 57.5437 63.0471 174.7695 49 A 3.9866 8.8112 129.6089 55.1476 18.2537 179.4227 50 A 3.9318 7.9227 118.8000 55.3767 18.5006 179.4320 51 D 4.3070 8.5731 118.0192 57.8551 40.9346 179.2314 52 T 3.9523 8.2339 110.4699 64.7538 68.6539 176.6217 53 Q 3.9411 8.1992 120.6717 58.8398 28.8385 178.2732 54 A 4.0213 7.9750 121.7355 55.2754 18.2822 179.7184 55 I 3.5824 8.0798 118.0105 64.4521 37.2486 178.2685 56 A 3.9812 8.4072 121.8685 55.5162 18.2523 179.1688 57 D 4.3368 8.5994 117.4420 57.9070 40.8428 179.4670 58 I 3.8353 7.8036 120.0534 64.1348 37.0432 178.6741 59 V 3.3833 7.9453 119.5859 65.8769 31.2897 177.6821 60 Q 4.0713 8.3344 119.6974 59.4406 28.8444 177.6994 61 Y 4.1017 8.0182 120.2759 61.1842 38.7458 177.8990 62 H 3.7549 8.4549 117.1928 58.8748 28.7712 177.8702 63 L 4.0157 8.3657 120.8300 57.1739 41.3892 179.2249 64 E 3.9189 8.0776 119.8854 59.1665 29.2790 178.5348 65 L 3.8520 7.6530 120.3972 57.8076 41.9400 178.3093 66 Y 3.8916 8.0904 119.9199 60.9136 38.5903 177.9576 67 T 4.5246 7.9007 116.6341 66.4676 68.7113 176.2602 68 S 4.1545 7.7928 115.3399 61.2070 62.8138 176.1097 69 Q 4.0510 6.9456 118.4738 56.9402 29.4099 176.2712 70 Y 4.4185 7.3809 115.2780 57.8397 38.9388 175.4880 *72 G 4.1170 7.5043 108.9698 45.2146 0.0000 172.1638 73 T 4.1848 8.5631 115.3182 63.5793 68.7191 172.4528 74 P 4.5326 0.0000 0.0000 61.7302 32.8689 176.6247 75 S 4.3647 8.1126 115.1047 58.3951 65.1859 175.4398 76 T 3.8924 8.3951 119.8053 66.8242 68.1619 176.4987 77 E 3.9356 8.0591 120.8707 59.5504 29.8153 178.8295 78 T 3.7998 7.9367 115.6295 66.3754 68.4128 176.5594 79 A 3.9186 8.0429 122.5174 55.2008 18.4066 179.6214 80 A 4.1587 8.2125 119.1865 55.2161 18.2693 179.8388 81 S 4.0541 8.0238 112.1043 61.3993 62.4410 176.5271 82 V 3.5350 7.7034 121.0002 65.7551 31.1951 178.0359 83 F 3.9854 8.2409 117.6258 60.3626 38.7868 177.2658 84 K 3.9226 8.4019 119.3374 59.6752 31.9788 177.8674 85 E 3.9882 8.4405 119.7171 59.6537 29.0162 179.0368 86 L 4.0063 7.7758 118.0269 58.1745 41.5060 179.4277 87 C 4.2579 8.1689 115.4854 62.7105 28.3878 175.3995 88 Y 4.2635 8.8135 121.5478 60.8203 38.3612 177.3698 89 E 3.9421 8.1974 118.4377 58.0691 29.8718 176.7185 90 N 5.0301 7.6839 115.9841 52.3801 39.5546 176.4734 91 K 4.0352 7.7080 120.3760 60.2121 32.6664 177.9521 92 D 4.2868 7.9341 118.7427 57.0479 40.9133 177.4140 *94 N 5.1186 7.8861 113.1864 52.4693 40.2394 173.7280 95 L 5.0623 7.4810 116.3887 53.3327 44.9577 176.7819 96 T 4.6710 8.6047 117.0494 61.5076 70.2952 171.3122 97 A 4.9365 8.3638 125.1451 50.0335 22.5120 175.2810 98 G 4.0699 9.2736 111.1377 43.9939 0.0000 172.0373 99 I 5.0146 8.2833 126.8605 59.0053 40.2102 175.2716 100 I 4.3159 8.4085 127.2328 59.6082 39.2073 174.6016 101 V 4.5890 8.2687 127.0030 61.1820 33.1850 174.7746 102 A 4.7765 9.3327 129.2624 50.3714 22.2981 175.0606 103 G 4.6503 8.7166 107.9050 44.2470 0.0000 171.0705 104 Y 4.6572 9.0632 122.3080 55.5469 40.7068 175.2052 105 D 4.2586 7.8869 125.0703 54.1622 41.4600 175.4962 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 T 8.17 4.51 4.24 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 1.22 0.00 0.00 2 S 9.41 4.56 0.00 3.70 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 3 I 8.17 5.32 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 1.40 0.65 0.96 0.00 0.00 4 M 8.83 4.86 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 5 A 8.46 5.16 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 6 V 9.08 4.51 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 1.09 0.00 0.00 0.93 0.00 0.00 7 T 8.74 4.79 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 8 F 8.86 4.91 0.00 3.24 3.11 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 0.00 0.00 0.00 0.00 9 K 9.06 3.75 0.00 1.81 2.08 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.52 7.81 10 D 7.86 4.61 0.00 2.49 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 11 G 5.38 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.91 5.14 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 0.77 0.00 0.00 1.04 0.00 0.00 13 I 9.00 4.66 1.82 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.49 0.83 0.00 0.00 14 L 8.54 5.13 0.00 1.42 1.57 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.13 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 16 A 8.20 5.18 1.20 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 17 D 8.59 4.78 0.00 2.70 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 18 S 8.31 4.97 0.00 3.95 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 19 R 8.70 5.08 0.00 1.78 2.03 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 20 T 8.84 4.80 4.24 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 1.21 0.00 0.00 21 T 8.65 5.09 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 1.17 0.00 0.00 22 T 8.68 4.48 4.31 0.00 0.00 0.00 0.00 0.00 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 23 G 8.26 4.10 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 0.00 0.00 0.00 24 A 8.63 4.30 1.33 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 0.00 0.00 0.00 25 Y 7.61 4.32 0.00 3.07 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 26 I 7.28 4.30 1.55 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.55 0.79 0.00 0.00 27 A 8.19 4.08 1.33 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 0.00 0.00 0.00 28 N 7.86 4.85 0.00 2.77 2.59 0.00 0.00 6.77 7.53 0.00 0.00 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 R 8.61 4.59 0.00 1.90 1.93 0.00 3.00 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 30 V 8.20 4.59 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 0.70 0.00 0.00 1.01 0.00 0.00 31 T 8.40 3.99 4.31 0.00 0.00 0.00 0.00 0.00 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 D 8.63 4.72 0.00 2.70 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 33 K 8.63 4.40 0.00 1.78 1.98 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.49 7.81 34 L 8.07 5.01 0.00 1.85 1.86 0.92 0.88 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 35 T 8.86 4.59 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 1.17 0.00 0.00 36 R 7.81 3.20 0.00 0.67 1.08 0.00 3.05 0.00 0.00 2.92 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 37 V 7.52 4.22 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 0.85 0.00 0.00 1.11 0.00 0.00 38 H 7.65 4.48 0.00 3.15 3.14 0.00 5.91 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.48 4.54 0.00 2.73 2.83 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 0.00 0.00 0.00 40 K 8.19 5.02 0.00 1.85 1.98 0.00 1.80 0.00 0.00 2.14 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.58 7.81 41 I 8.42 5.17 2.00 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 1.31 0.96 1.04 0.00 0.00 42 W 9.71 5.31 0.00 3.19 3.29 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 43 C 9.43 5.29 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 44 C 9.35 5.31 0.00 2.83 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 45 R 8.56 5.09 0.00 1.73 1.86 0.00 3.19 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 46 S 8.84 4.57 0.00 3.84 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 47 G 8.98 4.14 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 0.00 48 S 9.74 4.25 0.00 3.83 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 49 A 8.81 3.99 1.34 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 0.00 0.00 50 A 7.92 3.93 1.33 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 0.00 0.00 0.00 51 D 8.57 4.31 0.00 2.68 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 52 T 8.23 3.95 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 53 Q 8.20 3.94 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 54 A 7.98 4.02 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.08 3.58 2.15 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.92 1.02 0.00 0.00 56 A 8.41 3.98 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 57 D 8.60 4.34 0.00 2.87 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 58 I 7.80 3.84 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.90 1.02 0.00 0.00 59 V 7.95 3.38 1.70 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 0.53 0.00 0.00 -0.14 0.00 0.00 60 Q 8.33 4.07 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 61 Y 8.02 4.10 0.00 3.09 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 62 H 8.45 3.75 0.00 3.39 3.28 0.00 5.67 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 63 L 8.37 4.02 0.00 1.63 1.65 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.08 3.92 0.00 2.13 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 2.26 2.30 0.00 65 L 7.65 3.85 0.00 1.35 1.47 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.09 3.89 0.00 3.29 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 67 T 7.90 4.52 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 68 S 7.79 4.15 0.00 3.87 3.83 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 0.00 0.00 0.00 69 Q 6.95 4.05 0.00 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 70 Y 7.38 4.42 0.00 2.32 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 *72 G 7.50 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 73 T 8.56 4.18 4.32 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 0.00 0.00 0.00 1.27 0.00 0.00 74 P 0.00 4.53 0.00 1.69 1.06 0.00 3.55 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 75 S 8.11 4.36 0.00 4.03 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 76 T 8.40 3.89 4.22 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 1.26 0.00 0.00 77 E 8.06 3.94 0.00 2.00 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 2.35 2.38 0.00 78 T 7.94 3.80 4.17 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 0.77 0.00 0.00 79 A 8.04 3.92 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 80 A 8.21 4.16 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.02 4.05 0.00 4.02 4.01 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 82 V 7.70 3.53 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 0.79 0.00 0.00 0.88 0.00 0.00 83 F 8.24 3.99 0.00 3.31 3.05 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 84 K 8.40 3.92 0.00 1.96 2.02 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.64 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.48 1.60 7.81 85 E 8.44 3.99 0.00 2.30 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 2.33 2.48 0.00 86 L 7.78 4.01 0.00 1.95 1.73 0.84 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.17 4.26 0.00 3.06 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 88 Y 8.81 4.26 0.00 2.93 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 89 E 8.20 3.94 0.00 2.36 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 2.36 2.40 0.00 90 N 7.68 5.03 0.00 2.93 2.73 0.00 0.00 6.56 7.34 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 91 K 7.71 4.04 0.00 1.85 2.10 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.35 7.81 92 D 7.93 4.29 0.00 2.73 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 *94 N 7.89 5.12 0.00 2.73 2.89 0.00 0.00 7.07 7.85 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 95 L 7.48 5.06 0.00 1.66 1.56 0.98 0.75 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 96 T 8.60 4.67 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 1.22 0.00 0.00 97 A 8.36 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 98 G 9.27 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 0.00 0.00 0.00 99 I 8.28 5.01 1.70 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.72 0.42 0.00 0.00 100 I 8.41 4.32 1.84 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 1.08 1.24 0.89 0.00 0.00 101 V 8.27 4.59 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 0.82 0.00 0.00 0.39 0.00 0.00 102 A 9.33 4.78 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 0.00 103 G 8.72 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 9.06 4.66 0.00 2.96 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 0.00 105 D 7.89 4.26 0.00 2.46 2.24 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 * Residues marked with a * may have inaccurate shift predictions.