NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 H 4.7161 8.4449 117.3529 54.1445 29.7225 173.0690 5 Y 3.9680 8.5613 122.2888 56.1990 38.4633 169.9357 6 V 4.2502 9.0125 123.8885 61.0645 33.8671 174.8292 7 E 4.2508 8.7004 127.6992 54.8805 29.8906 174.8820 8 P 4.3731 0.0000 0.0000 62.2700 31.4249 176.4662 9 K 3.8392 8.2665 120.5062 56.1706 32.6284 178.3408 10 F 4.6550 7.7790 120.7361 59.7737 39.1446 175.5838 11 L 4.6535 7.0314 122.1098 51.9743 45.2243 175.6317 12 N 3.9925 8.9097 122.4335 53.7621 39.4963 175.4273 13 K 3.7707 8.7494 125.6752 59.9319 32.2047 178.3629 14 A 4.0590 7.8674 120.0580 55.2652 18.1427 179.5157 15 F 4.2737 7.6627 115.8148 60.4203 39.0796 177.4448 16 E 4.2328 8.4227 119.0416 59.4149 29.4926 178.9340 17 V 3.6189 8.2795 118.4169 66.0626 31.4497 177.6248 18 A 4.0703 8.1008 120.4311 55.1621 18.1716 179.3743 19 L 4.0242 8.1513 118.6146 58.4886 42.3362 179.4372 20 K 4.1245 8.3821 118.4677 59.3186 31.9557 179.5621 21 V 3.6191 8.0442 118.6239 66.2081 31.4918 178.2128 22 Q 4.0065 7.9183 117.6366 58.8938 28.4927 178.7425 23 I 3.3630 7.8407 120.8029 64.4680 37.1186 178.6650 24 I 3.6567 7.7528 120.3135 64.1560 36.8856 178.4300 25 A 4.1675 8.2814 121.9636 54.9687 18.2650 179.9432 26 G 3.6738 8.1004 105.5478 47.5412 0.0000 175.9278 27 F 4.4881 8.3846 120.9950 60.4703 38.8597 177.5712 28 D 4.4097 8.7723 118.9479 57.2031 40.7236 178.7090 29 R 4.0510 8.3382 119.4284 59.5256 30.1079 178.7967 30 G 3.7214 8.0603 104.9419 47.7562 0.0000 175.2750 31 L 3.9490 8.1365 122.8954 57.8662 42.0117 179.2376 32 V 3.6611 8.1282 118.3101 66.0387 30.0664 178.1057 33 K 4.0272 8.0806 117.9185 59.2954 31.8728 179.1804 34 W 4.3590 8.4549 128.6556 60.4934 30.6439 178.0932 35 L 3.9913 8.6816 119.2344 57.1019 40.8015 179.4341 36 R 3.9326 7.8846 115.6273 58.5295 29.3505 178.7745 37 V 3.6183 6.8351 116.3226 65.5250 32.1044 176.9077 38 H 4.5258 7.5584 113.7184 55.5690 29.2036 177.0497 39 G 3.7079 8.0198 109.2075 48.0706 0.0000 175.8122 40 R 4.1165 7.9271 118.3041 57.9081 30.1320 177.2891 41 T 4.4341 7.5961 107.5780 60.9729 69.2302 174.2791 42 L 4.8903 7.4992 121.7044 52.7359 44.8001 177.1676 43 S 4.4777 8.6904 117.7685 57.8133 65.3690 175.6402 44 T 3.8229 8.3455 118.4265 67.1858 68.1698 177.2245 45 V 3.4609 7.6740 113.3806 64.0556 31.6508 178.5726 46 Q 3.9747 7.9342 117.7216 58.7829 28.6287 178.7448 47 K 3.9921 8.1554 119.5564 59.4566 32.0583 179.5590 48 K 3.9797 7.9123 118.5214 59.3272 31.7914 179.2407 49 A 4.2299 7.7021 120.9983 55.2253 18.1343 179.7282 50 L 3.8704 7.7240 117.1567 57.9615 41.1620 179.1933 51 Y 3.8531 7.9806 116.6254 60.8493 37.7707 178.3443 52 F 4.2587 8.6964 121.7220 61.3594 39.4862 176.9850 53 V 3.5540 8.1498 117.9936 66.3477 31.1482 177.6405 54 N 4.4593 8.0231 115.5301 56.5750 38.4704 177.6518 55 R 3.9943 7.7138 118.6255 59.3618 30.1353 179.1540 56 R 4.0732 7.8795 120.2332 58.8310 29.9831 177.8882 57 Y 4.0013 8.5654 119.9627 60.8544 38.6946 177.7202 58 M 4.5075 8.5645 119.1677 59.0575 32.3937 178.2077 59 Q 4.0410 8.2819 118.4547 59.0875 28.7019 178.5677 60 T 4.1743 8.0946 109.1140 63.5506 69.4350 175.5143 61 H 4.4453 7.7141 118.0070 54.9614 28.9675 176.0545 62 W 4.2509 7.7720 132.4388 60.7430 30.4792 177.5949 63 A 3.9519 8.0756 119.9117 55.2177 17.6210 179.2122 64 N 4.2121 7.8608 114.3215 56.8159 38.7172 177.0919 65 Y 4.4512 7.6903 118.0179 61.4205 37.7640 178.7079 66 M 4.0194 8.0454 119.7873 58.0742 32.0999 178.4544 67 L 3.9886 7.8838 119.3031 57.7688 41.9005 179.5518 68 W 4.1272 8.0708 127.7949 60.4666 30.5965 177.8620 69 I 3.3139 8.3183 120.1591 64.6191 36.5941 178.1597 70 N 4.2623 8.4199 117.3803 55.9740 37.7982 177.2958 71 K 3.7792 7.7739 120.5378 59.6511 32.0831 179.0475 72 K 3.7607 7.3605 117.0179 59.1327 32.0263 179.2761 73 I 3.6824 7.7591 120.3760 64.3151 36.9854 178.0638 74 D 4.2535 8.2066 118.2860 56.9150 40.3708 177.3789 75 A 4.3568 7.5053 119.2393 52.3295 19.2079 179.0278 76 L 3.8920 7.8087 116.4360 55.7365 41.7452 178.3909 77 G 3.8693 8.5105 102.3366 45.5630 0.0000 172.7482 78 R 4.4832 7.3290 114.0344 54.9890 31.9860 173.8819 79 T 4.2094 8.1621 112.9155 60.6616 68.0281 172.3795 80 P 4.4601 0.0000 0.0000 62.7104 32.1453 176.1018 81 V 4.7087 8.5292 115.2685 58.9189 34.7727 177.2478 82 V 3.9421 8.7132 121.2965 65.2198 30.9893 178.6208 83 G 3.6646 8.2562 105.6192 47.6185 0.0000 175.1938 84 D 4.2635 8.2406 121.3590 57.3508 40.7582 178.3495 85 Y 3.8917 7.7364 116.8327 61.0321 37.9782 177.7941 86 T 3.9240 8.2897 117.0940 66.9458 68.5991 176.5186 87 R 3.8971 8.0748 120.2562 59.3627 30.0727 178.5609 88 L 4.2040 8.1989 119.1734 57.5948 41.5426 179.6587 89 G 3.6001 8.7008 105.9479 47.8815 0.0000 175.6213 90 A 4.0039 8.2470 123.5750 54.6055 18.2724 179.4492 91 E 3.8891 8.0828 117.6533 59.5016 29.6480 179.1337 92 I 3.5477 7.7418 120.0066 64.2850 36.6809 178.5928 93 G 3.5879 8.1218 106.6201 47.8710 0.0000 175.8348 94 R 4.0938 7.8739 119.2799 58.9731 30.3450 178.9169 95 R 4.2357 7.9660 117.0534 57.7745 30.1365 177.0427 96 I 3.8138 7.1462 120.1941 61.0062 37.3350 176.7965 97 D 4.5279 8.1663 127.4005 52.9469 38.6075 175.9818 98 M 3.4829 7.6635 123.2057 57.4224 32.2383 177.4918 99 A 3.5741 7.7019 120.4476 55.0647 18.2673 178.8200 100 Y 3.9080 7.8002 118.0951 60.6590 38.8350 177.8169 101 F 4.4717 7.7634 121.2517 61.3295 39.5270 176.7706 102 Y 3.7398 7.1357 116.4136 60.8712 37.3190 178.2342 103 D 4.5788 8.1040 119.8878 57.2825 40.9254 178.5101 104 F 4.0972 7.8682 121.1558 61.4006 39.4313 177.0903 105 L 3.5485 7.7988 118.3976 57.4387 41.3941 179.5268 106 K 3.8807 8.1531 119.4875 59.7335 32.0497 178.6198 107 D 4.2997 8.1777 118.0728 57.4051 40.8154 177.7250 108 K 4.1142 8.1995 115.7209 55.5096 31.8587 176.1409 109 N 4.0851 7.5576 116.2224 55.3541 37.7095 174.2807 110 M 4.5699 8.0142 112.2743 54.6492 32.6639 176.5634 111 I 3.6808 7.6936 120.1423 60.7696 37.6205 174.2877 112 P 4.3500 0.0000 0.0000 62.4847 31.7548 176.3946 113 K 3.9524 8.6375 121.7347 56.8159 32.6587 176.0172 114 Y 4.3848 8.7395 125.0031 57.3855 39.5532 174.3563 115 L 4.8909 7.7156 126.1136 51.8388 45.2647 175.3783 116 P 4.0537 0.0000 0.0000 66.2559 31.1484 178.2593 117 Y 4.0924 7.9117 117.4213 60.9304 38.5655 178.0114 118 M 3.1538 7.4570 119.2709 58.0222 31.8631 178.3107 119 E 4.2414 7.3641 120.2339 58.6319 29.5574 178.2886 120 E 3.8697 7.8975 118.5712 59.2254 29.8280 178.6070 121 I 3.8149 7.5909 119.8090 64.5357 36.9809 178.1678 122 N 4.4490 8.2913 116.2805 56.4911 38.4574 177.4379 123 R 4.0768 8.2133 118.5387 57.9045 30.5530 177.3490 124 M 4.2330 7.0337 118.1866 54.8765 32.7856 176.5307 125 R 4.0865 8.3970 120.8261 55.6780 31.0720 175.9730 126 P 4.2467 0.0000 0.0000 65.8050 31.5221 178.4691 127 A 4.0256 8.1065 119.3641 54.6907 18.2505 177.5252 128 D 4.7087 8.0888 113.4688 53.9102 41.6522 176.9618 129 V 3.6283 7.3753 120.9432 61.9980 31.8110 173.7301 130 P 4.3734 0.0000 0.0000 62.5520 31.9715 175.9811 131 V 4.1969 7.8674 114.8305 59.0747 34.6486 174.9060 132 K 4.6961 8.1415 121.3023 54.7681 34.6167 175.6960 133 Y 4.6133 8.9709 123.3310 58.7006 39.0509 176.1726 134 M 4.3570 8.6016 120.2823 55.3273 32.2266 173.6298 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 *4 H 8.44 4.72 0.00 2.95 2.93 0.00 7.17 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.56 3.97 0.00 3.07 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 6 V 9.01 4.25 2.11 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 0.82 0.00 0.00 0.92 0.00 0.00 7 E 8.70 4.25 0.00 1.95 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 2.31 2.30 0.00 8 P 0.00 4.37 0.00 2.21 2.07 0.00 3.79 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 2.06 2.04 0.00 9 K 8.27 3.84 0.00 1.72 1.77 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.34 7.81 10 F 7.78 4.66 0.00 2.25 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 11 L 7.03 4.65 0.00 1.74 1.60 1.29 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.91 3.99 0.00 1.65 2.14 0.00 0.00 6.75 7.67 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 13 K 8.75 3.77 0.00 1.76 1.76 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.52 7.81 14 A 7.87 4.06 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 15 F 7.66 4.27 0.00 2.80 1.73 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 16 E 8.42 4.23 0.00 2.31 2.23 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 2.39 2.61 0.00 17 V 8.28 3.62 2.18 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 0.99 0.00 0.00 0.98 0.00 0.00 18 A 8.10 4.07 1.55 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 19 L 8.15 4.02 0.00 2.38 2.15 1.15 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.38 4.12 0.00 1.89 1.84 0.00 1.52 0.00 0.00 1.06 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.72 7.81 21 V 8.04 3.62 2.21 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 1.07 0.00 0.00 0.99 0.00 0.00 22 Q 7.92 4.01 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.64 2.79 0.00 23 I 7.84 3.36 1.84 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 1.24 0.62 0.20 0.00 0.00 24 I 7.75 3.66 1.98 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 1.52 0.66 1.00 0.00 0.00 25 A 8.28 4.17 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 26 G 8.10 3.67 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 0.00 27 F 8.38 4.49 0.00 3.17 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 28 D 8.77 4.41 0.00 2.96 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 29 R 8.34 4.05 0.00 2.15 2.28 0.00 3.15 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 30 G 8.06 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 0.00 0.00 0.00 31 L 8.14 3.95 0.00 1.59 1.66 -0.13 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.13 3.66 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 1.05 0.00 0.00 1.09 0.00 0.00 33 K 8.08 4.03 0.00 2.16 1.94 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.70 7.81 34 W 8.45 4.36 0.00 3.53 3.39 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 35 L 8.68 3.99 0.00 1.78 1.73 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.88 3.93 0.00 1.96 2.07 0.00 3.06 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.60 0.00 37 V 6.84 3.62 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 0.42 0.00 0.00 0.81 0.00 0.00 38 H 7.56 4.53 0.00 1.81 2.66 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.02 3.71 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 0.00 0.00 0.00 40 R 7.93 4.12 0.00 1.73 1.96 0.00 3.16 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 41 T 7.60 4.43 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 1.15 0.00 0.00 42 L 7.50 4.89 0.00 1.78 1.58 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.69 4.48 0.00 4.05 3.99 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 0.00 0.00 0.00 44 T 8.35 3.82 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 1.17 0.00 0.00 45 V 7.67 3.46 2.11 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 0.94 0.00 0.00 0.94 0.00 0.00 46 Q 7.93 3.97 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 47 K 8.16 3.99 0.00 1.94 1.94 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.64 7.81 48 K 7.91 3.98 0.00 1.16 1.04 0.00 1.52 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.39 7.81 49 A 7.70 4.23 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 3.87 0.00 1.78 1.32 0.72 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.98 3.85 0.00 3.25 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 52 F 8.70 4.26 0.00 3.32 3.42 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 53 V 8.15 3.55 2.31 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 1.14 0.00 0.00 1.06 0.00 0.00 54 N 8.02 4.46 0.00 3.08 3.15 0.00 0.00 7.06 9.01 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 55 R 7.71 3.99 0.00 1.96 1.98 0.00 3.28 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 56 R 7.88 4.07 0.00 0.92 1.75 0.00 3.13 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 57 Y 8.57 4.00 0.00 3.23 3.21 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 58 M 8.56 4.51 0.00 2.49 2.34 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.93 0.00 59 Q 8.28 4.04 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.61 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 60 T 8.09 4.17 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 1.25 0.00 0.00 61 H 7.71 4.45 0.00 2.58 2.25 0.00 5.83 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 W 7.77 4.25 0.00 3.40 2.98 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 63 A 8.08 3.95 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 64 N 7.86 4.21 0.00 2.66 2.80 0.00 0.00 7.15 7.48 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 65 Y 7.69 4.45 0.00 2.83 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 66 M 8.05 4.02 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 1.98 0.00 67 L 7.88 3.99 0.00 1.98 1.79 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 68 W 8.07 4.13 0.00 3.30 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 69 I 8.32 3.31 2.08 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 1.55 0.88 0.97 0.00 0.00 70 N 8.42 4.26 0.00 2.80 2.85 0.00 0.00 6.74 7.76 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 71 K 7.77 3.78 0.00 1.97 1.78 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.62 7.81 72 K 7.36 3.76 0.00 1.37 1.38 0.00 1.40 0.00 0.00 1.35 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.55 0.21 7.81 73 I 7.76 3.68 1.74 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.45 0.84 0.00 0.00 74 D 8.21 4.25 0.00 2.63 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 75 A 7.51 4.36 1.27 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 0.00 0.00 76 L 7.81 3.89 0.00 1.56 1.67 0.76 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.51 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 0.00 0.00 0.00 78 R 7.33 4.48 0.00 1.88 1.87 0.00 3.01 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 79 T 8.16 4.21 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 1.23 0.00 0.00 80 P 0.00 4.46 0.00 2.08 1.79 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 81 V 8.53 4.71 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 0.86 0.00 0.00 0.98 0.00 0.00 82 V 8.71 3.94 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 1.03 0.00 0.00 1.16 0.00 0.00 83 G 8.26 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.24 4.26 0.00 2.37 2.30 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 85 Y 7.74 3.89 0.00 3.11 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 86 T 8.29 3.92 4.43 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 1.25 0.00 0.00 87 R 8.07 3.90 0.00 1.87 2.11 0.00 3.04 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 88 L 8.20 4.20 0.00 1.92 1.74 0.66 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.70 3.60 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 90 A 8.25 4.00 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 91 E 8.08 3.89 0.00 2.25 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 0.00 2.31 2.40 0.00 92 I 7.74 3.55 1.68 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 0.78 0.77 0.21 0.00 0.00 93 G 8.12 3.59 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 0.00 0.00 0.00 94 R 7.87 4.09 0.00 1.90 2.00 0.00 3.18 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 95 R 7.97 4.24 0.00 1.72 1.89 0.00 3.23 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 96 I 7.15 3.81 1.76 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 1.53 1.02 0.59 0.00 0.00 97 D 8.17 4.53 0.00 2.70 2.44 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 0.00 98 M 7.66 3.48 0.00 1.00 1.57 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 99 A 7.70 3.57 1.44 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 0.00 0.00 0.00 100 Y 7.80 3.91 0.00 3.07 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 0.00 101 F 7.76 4.47 0.00 2.81 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 0.00 102 Y 7.14 3.74 0.00 1.49 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 0.00 103 D 8.10 4.58 0.00 2.83 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 0.00 104 F 7.87 4.10 0.00 2.94 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 0.00 105 L 7.80 3.55 0.00 1.63 1.50 0.36 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.15 3.88 0.00 2.11 2.00 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.56 7.81 107 D 8.18 4.30 0.00 2.67 2.69 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 0.00 108 K 8.20 4.11 0.00 1.06 1.36 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.26 1.30 7.81 109 N 7.56 4.09 0.00 2.74 2.78 0.00 0.00 6.94 7.05 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 0.00 110 M 8.01 4.57 0.00 1.92 1.74 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.44 0.00 111 I 7.69 3.68 1.85 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 1.33 0.55 0.90 0.00 0.00 112 P 0.00 4.35 0.00 2.19 2.14 0.00 3.75 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 2.27 2.28 0.00 113 K 8.64 3.95 0.00 1.77 1.80 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.47 7.81 114 Y 8.74 4.38 0.00 2.93 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 0.00 115 L 7.72 4.89 0.00 1.55 1.41 0.90 1.05 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 0.00 116 P 0.00 4.05 0.00 2.11 2.06 0.00 3.53 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 117 Y 7.91 4.09 0.00 2.97 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 0.00 118 M 7.46 3.15 0.00 1.65 1.50 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.81 0.00 119 E 7.36 4.24 0.00 1.67 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 2.33 2.25 0.00 120 E 7.90 3.87 0.00 2.07 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 2.30 2.34 0.00 121 I 7.59 3.81 2.11 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 1.06 0.32 1.01 0.00 0.00 122 N 8.29 4.45 0.00 3.04 2.98 0.00 0.00 7.14 8.39 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 0.00 123 R 8.21 4.08 0.00 1.89 1.99 0.00 3.34 0.00 0.00 3.37 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 124 M 7.03 4.23 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.51 0.00 125 R 8.40 4.09 0.00 1.96 1.86 0.00 3.32 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 126 P 0.00 4.25 0.00 2.20 2.15 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 127 A 8.11 4.03 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 0.00 128 D 8.09 4.71 0.00 2.71 2.69 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 0.00 129 V 7.38 3.63 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 0.74 0.00 0.00 0.94 0.00 0.00 130 P 0.00 4.37 0.00 2.21 2.03 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 131 V 7.87 4.20 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 -0.12 0.00 0.00 0.04 0.00 0.00 132 K 8.14 4.70 0.00 1.73 1.77 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.42 7.81 133 Y 8.97 4.61 0.00 3.39 3.17 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 0.00 134 M 8.60 4.36 0.00 1.98 1.75 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.06 0.00 * Residues marked with a * may have inaccurate shift predictions.