NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3881 8.1233 123.5834 52.1935 21.0242 179.0345 3 E 3.8790 8.0628 115.4798 58.8043 29.2094 177.5674 4 K 4.0970 8.3632 119.4508 58.9187 33.0697 178.5351 5 A 4.2396 7.9357 120.7414 55.2332 18.5324 179.2349 6 L 4.0162 8.3636 118.8686 58.1799 41.6409 179.0072 7 A 4.0950 8.1277 121.1479 55.4458 18.1443 179.7278 8 T 4.6102 7.7022 107.7788 64.0157 69.1114 176.4412 9 L 4.0983 7.8594 123.2317 58.0205 41.7948 178.7880 10 K 3.9670 8.2773 118.3416 59.3754 31.9731 179.0646 11 E 4.2854 8.1244 117.6812 58.4861 29.1642 178.4185 12 L 4.6753 7.3835 117.6386 55.0324 43.5437 178.3716 13 A 3.4680 7.9806 121.6807 54.8554 18.2429 178.0854 14 F 4.7223 7.5965 111.5137 57.3209 39.0970 175.6001 15 L 4.3106 7.6152 122.5113 54.5358 41.9440 177.0169 16 E 4.1924 8.9970 124.8549 58.8191 29.9415 176.3723 17 D 4.6892 7.6005 117.2890 51.4147 41.3374 172.4496 18 P 4.5664 0.0000 0.0000 61.6265 32.6025 177.8373 19 S 4.4077 9.6227 116.7589 57.3537 65.4033 173.6159 20 P 4.1896 0.0000 0.0000 65.5572 30.9390 179.2214 21 V 3.6494 7.6647 116.8616 65.9131 31.5564 177.8301 22 E 4.0161 8.1739 118.4999 59.2134 29.2578 179.3537 23 R 3.6175 8.0114 118.9211 59.4263 30.1569 178.3580 24 D 4.4082 8.0660 118.2481 57.2261 40.7961 178.6280 25 A 4.0487 8.1913 121.2751 55.0378 18.4837 179.5726 26 A 4.0328 8.1855 119.4474 55.3319 18.4765 179.9935 27 I 3.8797 7.9229 118.5260 64.4088 37.1822 178.3608 28 Q 4.1259 8.2377 120.5285 59.4030 28.9559 178.6446 29 R 2.5100 7.9643 118.7237 58.0747 29.9351 178.9032 30 F 4.1933 7.8577 120.5493 61.1556 39.4237 176.9099 31 E 3.6466 7.9789 118.3783 59.6146 29.3233 178.9695 32 Y 4.4000 7.7698 116.8100 59.6664 38.1254 177.8509 33 T 4.2129 7.7546 118.3689 66.3800 68.6869 176.6292 34 F 4.2019 8.5152 123.1354 61.0447 39.4665 176.6274 35 E 4.0093 8.3268 118.8226 59.5453 29.4657 178.8191 36 A 3.8735 7.8284 120.2452 54.8258 18.3468 179.4559 37 F 3.9790 8.4103 119.8705 61.2708 39.6109 177.5740 38 W 3.8468 8.1007 116.7278 59.1693 27.7868 178.3832 39 K 3.1424 6.8776 118.7278 58.8635 31.2554 179.1069 40 A 3.8449 7.5716 121.0524 54.8030 18.1866 179.4532 41 L 3.7111 7.4663 118.8568 58.1751 42.1694 178.8128 42 Q 3.9560 8.3777 119.6489 59.2565 28.9192 178.2564 43 A 3.9211 8.1670 121.9557 55.4081 18.3592 178.9282 44 Y 3.9482 8.2252 118.1799 60.8543 38.8420 178.3995 45 L 3.8824 8.3040 120.1338 57.4607 41.2258 179.3806 46 R 3.9055 7.9447 118.6641 59.6736 29.8831 178.5175 47 E 3.7648 8.0877 116.9043 58.4326 29.6623 178.4394 48 K 4.2840 7.8012 116.1869 56.2635 32.9118 176.7979 49 E 4.4956 7.6780 116.9304 54.7199 31.2250 176.0168 50 G 4.1206 7.5701 105.9078 46.3535 0.0000 173.7016 51 L 4.4690 7.2869 119.5025 52.5786 43.0004 176.7640 52 E 4.3400 8.7693 124.9731 55.0035 29.0448 176.0573 53 G 4.0993 8.4031 112.6224 44.1529 0.0000 172.0281 54 A 4.8376 8.5231 122.2573 51.1609 20.4108 176.5176 55 S 4.4930 7.5493 110.6738 55.0749 67.5555 173.0806 56 P 3.2696 0.0000 0.0000 65.5015 30.9720 179.2633 57 K 4.1456 7.7870 116.8371 59.0812 32.0301 179.6127 58 G 3.5528 8.2499 106.5334 47.7906 0.0000 176.0388 59 V 3.7117 8.2952 121.2168 65.6182 31.5342 178.3030 60 I 3.7998 7.8865 119.6954 64.4006 36.9089 178.4774 61 R 3.9539 8.1589 118.9710 59.4211 29.7481 179.0802 62 L 3.9871 7.9791 118.3857 57.8383 41.5985 179.5234 63 A 4.1671 8.2461 120.7126 54.8636 18.1853 179.7894 64 R 4.0975 7.8995 118.6980 59.2136 30.1491 178.3397 65 E 4.2109 8.3327 115.6361 57.7666 29.4840 178.0447 66 V 4.3151 7.4725 115.7915 62.1966 32.6289 175.9376 67 G 4.0463 8.2843 106.3557 45.9415 0.0000 174.7404 68 L 4.1646 7.8352 119.5797 56.5137 41.6754 177.4403 69 L 4.9677 7.6403 118.2002 52.3474 44.5445 176.4903 70 R 4.1952 9.8149 123.6128 55.7944 32.1206 177.5757 71 D 4.4425 8.6546 119.9164 57.6360 40.7782 179.2724 72 E 3.9605 8.0882 118.5871 59.5214 29.6843 178.8416 73 E 4.0066 8.2722 117.8829 59.4828 29.5640 179.1536 74 A 4.1081 8.1831 120.7002 55.2519 18.2172 179.7028 75 R 3.8861 7.7071 115.8636 59.2098 30.3991 178.3358 76 L 4.1382 7.9034 119.9084 58.1650 41.9825 178.5147 77 A 4.0212 8.2795 119.6709 55.5556 18.4386 179.3462 78 L 4.2270 8.2363 117.3281 57.4016 41.8341 180.2380 79 G 3.8536 7.9465 107.2920 44.4273 0.0000 175.8281 *81 V 3.4745 7.8017 121.5877 62.4444 33.1880 176.9852 82 D 4.6017 7.6951 119.5395 57.3854 41.3030 178.5146 83 D 4.3839 8.3049 119.2238 57.3041 40.9196 178.5636 84 R 4.0802 7.2726 116.9847 58.5532 29.9904 177.0476 85 S 4.5879 7.6933 112.3569 59.7499 64.1877 175.8624 86 L 3.9802 7.7179 118.9813 56.7020 41.5650 178.6205 87 T 4.1112 7.2570 112.4951 63.8616 67.2426 175.5158 88 V 3.8040 6.9811 122.7946 64.9518 32.4179 176.1357 89 H 4.7465 7.6619 119.1899 55.5306 27.8933 176.5222 90 T 4.1238 7.6860 116.2393 66.6868 69.1098 176.4049 91 Y 4.3168 7.9813 121.3519 57.9734 38.6408 176.4009 92 N 4.5283 8.5097 119.0118 52.0868 36.2512 175.1295 93 E 3.5701 6.8904 124.9868 57.8957 30.2858 176.6980 94 P 4.1747 0.0000 0.0000 65.5741 31.3292 178.3548 95 L 3.8686 8.3164 118.7779 58.1469 42.0159 178.5555 96 A 4.0074 7.9984 120.1821 55.5574 18.2669 179.6900 97 R 3.8738 8.3732 116.4923 59.3317 29.8768 179.2174 98 A 4.0214 7.9300 119.8953 54.9256 18.5491 179.5824 99 I 3.7071 8.0051 118.7394 64.3927 37.2879 178.1033 100 F 3.8344 8.4141 121.8634 61.4566 38.9243 177.1570 101 R 3.8151 7.8823 116.9016 58.9271 30.1295 177.8403 102 R 3.8217 7.6068 116.4594 56.6709 30.3019 178.2444 103 L 3.5990 7.0101 119.7462 57.1612 41.4831 177.4512 104 P 3.7715 0.0000 0.0000 65.5580 31.2618 178.4039 105 D 4.3182 7.6613 117.0619 57.3896 40.6107 178.1020 106 Y 4.3552 7.3726 115.8670 61.2141 37.9953 178.2549 107 A 4.1692 8.1485 120.3815 55.4589 18.7770 179.6299 108 R 4.1622 8.1120 116.5037 59.0864 29.9911 179.2812 109 L 3.8260 8.1873 116.5410 56.0713 42.0927 177.9432 *111 E 4.2548 8.0573 119.3846 56.0976 31.4328 177.6099 112 Q 4.0321 8.0878 117.5458 59.0191 28.6887 178.8405 113 V 3.6304 8.1804 119.2554 66.4191 31.6420 178.1097 114 L 4.0954 7.6859 117.2011 57.7999 41.2957 179.7608 115 G 3.6970 8.1864 105.3514 47.0923 0.0000 175.3616 116 R 4.2224 8.0605 119.5307 57.5012 30.2445 177.7159 117 L 3.5544 7.2313 116.6735 55.5414 41.7369 176.4063 118 R 4.4660 7.1968 114.8237 57.5463 32.8685 175.8750 119 R 4.1049 7.8495 121.0351 56.7628 29.9983 176.7567 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 2 A 8.12 4.39 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 3 E 8.06 3.88 0.00 2.18 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 0.00 2.43 2.57 0.00 4 K 8.36 4.10 0.00 1.73 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.51 7.81 5 A 7.94 4.24 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.02 0.00 1.90 1.95 0.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.13 4.10 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.70 4.61 4.38 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 1.33 0.00 0.00 9 L 7.86 4.10 0.00 1.79 1.93 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.28 3.97 0.00 2.15 2.13 0.00 1.92 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.81 7.81 11 E 8.12 4.29 0.00 2.29 2.07 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 2.39 2.63 0.00 12 L 7.38 4.68 0.00 1.85 1.78 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.98 3.47 0.58 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 0.00 0.00 14 F 7.60 4.72 0.00 3.09 3.04 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 0.00 0.00 0.00 0.00 15 L 7.62 4.31 0.00 1.90 1.74 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 16 E 9.00 4.19 0.00 1.98 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 2.32 2.34 0.00 17 D 7.60 4.69 0.00 2.61 2.49 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 18 P 0.00 4.57 0.00 1.96 1.80 0.00 3.63 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 1.46 0.44 0.00 19 S 9.62 4.41 0.00 3.98 4.02 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 20 P 0.00 4.19 0.00 2.18 2.16 0.00 3.57 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 21 V 7.66 3.65 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 1.08 0.00 0.00 0.93 0.00 0.00 22 E 8.17 4.02 0.00 2.24 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 2.30 0.00 23 R 8.01 3.62 0.00 1.41 1.87 0.00 3.00 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.14 0.00 24 D 8.07 4.41 0.00 2.82 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 25 A 8.19 4.05 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 26 A 8.19 4.03 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.88 2.09 0.00 0.00 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 1.50 1.08 1.04 0.00 0.00 28 Q 8.24 4.13 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 29 R 7.96 2.51 0.00 1.74 1.62 0.00 3.24 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 1.49 1.84 0.00 30 F 7.86 4.19 0.00 3.10 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 31 E 7.98 3.65 0.00 2.29 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 2.32 2.53 0.00 32 Y 7.77 4.40 0.00 3.10 3.26 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 33 T 7.75 4.21 4.46 0.00 0.00 0.00 0.00 0.00 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 34 F 8.52 4.20 0.00 2.52 2.78 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 0.00 0.00 0.00 0.00 35 E 8.33 4.01 0.00 2.28 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 2.33 2.28 0.00 36 A 7.83 3.87 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 37 F 8.41 3.98 0.00 3.21 3.15 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 38 W 8.10 3.85 0.00 3.34 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 39 K 6.88 3.14 0.00 1.39 1.46 0.00 1.18 0.00 0.00 0.76 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 1.02 7.81 40 A 7.57 3.84 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 41 L 7.47 3.71 0.00 1.50 1.65 0.68 0.65 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 42 Q 8.38 3.96 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 43 A 8.17 3.92 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 44 Y 8.23 3.95 0.00 3.09 3.15 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 45 L 8.30 3.88 0.00 1.88 1.80 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.94 3.91 0.00 1.86 2.06 0.00 3.06 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 47 E 8.09 3.76 0.00 1.95 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 2.29 2.29 0.00 48 K 7.80 4.28 0.00 0.79 1.43 0.00 1.61 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.08 0.82 7.81 49 E 7.68 4.50 0.00 2.02 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 1.99 2.35 0.00 50 G 7.57 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 51 L 7.29 4.47 0.00 1.62 1.60 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.77 4.34 0.00 1.95 1.93 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 2.25 2.28 0.00 53 G 8.40 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 54 A 8.52 4.84 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 55 S 7.55 4.49 0.00 3.82 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 56 P 0.00 3.27 0.00 1.83 1.38 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.44 0.00 57 K 7.79 4.15 0.00 1.73 1.82 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.42 7.81 58 G 8.25 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 59 V 8.30 3.71 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 1.18 0.00 0.00 1.20 0.00 0.00 60 I 7.89 3.80 2.05 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.75 1.00 0.00 0.00 61 R 8.16 3.95 0.00 2.00 2.00 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 62 L 7.98 3.99 0.00 1.91 1.75 0.95 0.90 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 63 A 8.25 4.17 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 64 R 7.90 4.10 0.00 1.95 2.17 0.00 3.17 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 65 E 8.33 4.21 0.00 1.98 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 2.63 2.48 0.00 66 V 7.47 4.32 2.35 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 0.94 0.00 0.00 1.00 0.00 0.00 67 G 8.28 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 0.00 0.00 0.00 68 L 7.84 4.16 0.00 1.91 1.77 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.64 4.97 0.00 1.76 1.59 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 70 R 9.81 4.20 0.00 1.81 1.88 0.00 3.16 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 71 D 8.65 4.44 0.00 2.78 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 72 E 8.09 3.96 0.00 2.08 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 2.47 0.00 73 E 8.27 4.01 0.00 2.19 2.07 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 2.45 2.42 0.00 74 A 8.18 4.11 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 75 R 7.71 3.89 0.00 1.98 2.00 0.00 3.28 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 76 L 7.90 4.14 0.00 2.10 1.79 1.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.28 4.02 1.50 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 0.00 0.00 78 L 8.24 4.23 0.00 1.86 1.72 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.95 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 0.00 0.00 0.00 *81 V 7.80 3.47 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 0.88 0.00 0.00 0.99 0.00 0.00 82 D 7.70 4.60 0.00 2.80 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 83 D 8.30 4.38 0.00 2.83 2.82 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 84 R 7.27 4.08 0.00 1.31 1.56 0.00 3.36 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 85 S 7.69 4.59 0.00 4.03 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 86 L 7.72 3.98 0.00 1.92 1.75 0.94 0.55 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 87 T 7.26 4.11 4.58 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 1.46 0.00 0.00 88 V 6.98 3.80 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 0.78 0.00 0.00 0.96 0.00 0.00 89 H 7.66 4.75 0.00 3.29 3.36 0.00 5.60 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 90 T 7.69 4.12 4.33 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 1.27 0.00 0.00 91 Y 7.98 4.32 0.00 2.92 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 92 N 8.51 4.53 0.00 2.77 2.61 0.00 0.00 7.26 7.58 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 93 E 6.89 3.57 0.00 1.81 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 1.86 2.19 0.00 94 P 0.00 4.17 0.00 2.09 2.06 0.00 3.64 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 2.05 2.09 0.00 95 L 8.32 3.87 0.00 1.68 1.79 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.00 4.01 1.35 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 97 R 8.37 3.87 0.00 2.07 1.98 0.00 3.17 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 98 A 7.93 4.02 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 99 I 8.01 3.71 2.00 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 1.65 0.85 0.76 0.00 0.00 100 F 8.41 3.83 0.00 3.18 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.88 3.82 0.00 2.01 1.96 0.00 3.24 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 102 R 7.61 3.82 0.00 1.39 0.66 0.00 3.10 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.38 0.00 103 L 7.01 3.60 0.00 1.10 1.28 0.80 0.36 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 0.00 104 P 0.00 3.77 0.00 2.05 2.18 0.00 3.32 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 1.90 1.99 0.00 105 D 7.66 4.32 0.00 2.54 2.65 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 0.00 106 Y 7.37 4.36 0.00 2.91 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 0.00 107 A 8.15 4.17 1.18 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 0.00 108 R 8.11 4.16 0.00 2.17 2.04 0.00 3.17 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 1.74 1.86 0.00 109 L 8.19 3.83 0.00 1.82 1.90 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 *111 E 8.06 4.25 0.00 2.27 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 2.34 2.35 0.00 112 Q 8.09 4.03 0.00 2.43 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.53 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 113 V 8.18 3.63 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 1.24 0.00 0.00 1.13 0.00 0.00 114 L 7.69 4.10 0.00 1.86 1.77 1.12 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.19 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 0.00 0.00 0.00 116 R 8.06 4.22 0.00 1.96 1.94 0.00 3.14 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 117 L 7.23 3.55 0.00 1.51 1.22 0.68 0.30 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 0.00 118 R 7.20 4.47 0.00 1.72 1.87 0.00 3.18 0.00 0.00 3.22 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 119 R 7.85 4.10 0.00 1.82 1.87 0.00 3.29 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.