NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1626 8.2649 123.5835 51.8642 20.5720 177.1490 *2 I 4.0645 7.4858 114.3435 61.5703 38.0488 175.6858 3 V 4.3167 8.4905 117.8016 61.3353 33.1297 175.9802 4 G 4.6781 7.4958 105.3223 46.1808 0.0000 172.2293 5 L 5.3301 8.5207 123.1424 53.1351 45.2935 175.6958 6 G 4.3098 9.1594 112.0855 45.0087 0.0000 171.1753 7 T 5.2624 8.2838 115.5551 60.6568 71.0779 172.2167 8 D 4.7944 8.8926 124.4252 53.0304 45.2730 173.6134 9 I 5.1409 8.4358 123.6640 59.1338 41.0026 174.1057 10 A 4.9480 9.4110 130.4576 49.9893 22.2763 174.8706 11 E 4.4015 8.9195 123.2312 55.5237 30.2745 177.2841 12 I 3.7170 8.5587 128.7722 64.4791 37.0816 177.8959 13 E 4.0490 8.1370 119.6201 59.6183 29.3373 179.0660 14 R 3.8675 7.7729 118.1333 59.0027 30.0811 179.2066 15 V 3.6338 7.6712 117.7424 65.9502 31.6514 177.7744 16 E 4.0381 8.4045 118.4549 59.4439 29.1927 179.4604 17 K 3.9491 8.3489 118.4963 59.4212 32.0223 179.2711 18 A 3.8412 7.9814 121.0270 55.0693 18.1996 179.6928 19 L 4.1651 8.3114 117.3559 57.9636 41.4934 179.6082 20 A 4.1090 8.1051 119.6993 54.4165 18.2807 179.3229 21 R 4.2404 7.4135 115.9001 58.2700 31.0591 178.1941 22 S 4.7191 8.4870 112.6242 55.8276 64.9472 176.1810 23 G 3.9765 8.7372 110.7976 46.0808 0.0000 176.1082 24 E 3.9829 9.0539 125.0184 58.9902 28.9767 177.3931 25 N 4.3945 7.8328 115.8190 56.1726 38.9218 176.8993 26 F 4.5234 8.1841 121.1727 61.3344 39.6991 176.8311 27 A 3.2747 7.9283 120.4420 55.2362 17.8690 179.8246 28 R 3.8865 8.1274 115.0391 58.6895 30.1624 178.8795 29 R 4.0610 7.5867 118.0092 59.1736 30.1426 177.9756 30 I 3.6486 7.3981 118.1379 61.8906 37.8679 175.9652 31 L 4.8688 7.2156 118.6455 52.8855 43.6607 177.0566 32 T 4.0084 8.7127 113.5286 61.2594 70.7260 175.5691 33 D 4.3333 8.4026 121.1077 57.4671 40.6069 178.7330 34 S 4.2506 7.9704 113.1676 61.5700 62.5216 176.0075 35 E 4.1489 8.0572 121.2579 59.2513 29.1770 179.2712 36 L 3.9606 8.1268 119.2728 57.5689 41.3354 179.3052 37 E 4.0014 7.6607 117.4562 59.6126 29.4587 179.1268 38 Q 4.1263 8.0356 117.5448 58.6407 28.8866 178.0824 39 F 2.7526 7.9962 121.6825 61.4348 39.1549 177.0284 40 H 3.9773 8.3633 114.0516 58.4195 28.5209 177.0071 41 A 4.1285 7.2174 120.5614 52.5131 18.9571 177.7155 42 S 4.1462 6.9993 112.1766 58.1773 62.9276 173.9147 43 K 4.4115 8.4481 124.0687 56.2446 33.0785 176.9220 44 Q 4.5843 7.9892 117.0422 53.9882 28.2564 175.9692 45 Q 3.9659 7.8862 121.9810 59.3632 29.2341 178.5485 46 G 3.7105 8.0971 106.4863 47.9809 0.0000 175.8781 47 R 4.0155 8.0082 120.3177 58.6932 30.2955 178.6723 48 F 4.0665 8.4611 120.5287 61.4177 39.4438 177.0315 49 L 4.1398 8.8335 120.1258 58.0364 41.8274 178.6892 50 A 4.1108 8.3134 120.9087 55.0529 18.2625 179.7849 51 K 3.9426 7.9964 116.5155 59.6949 32.0608 179.8157 52 R 3.8574 7.7872 117.8941 59.1172 29.9723 178.8612 53 F 4.0511 8.7288 120.6261 61.2872 39.3385 177.0146 54 A 4.7134 8.6709 121.5406 54.6795 18.1425 179.4672 55 A 3.8549 8.1763 119.3598 55.3211 18.4080 180.1097 56 K 3.4785 8.2845 117.3222 59.2746 32.1039 179.5726 57 E 3.6096 8.0896 118.7463 59.1388 29.3688 179.1157 58 A 3.8659 8.0290 120.7254 55.1746 18.4102 179.5819 59 A 3.8589 7.8517 119.5236 55.1620 18.3784 180.0385 60 S 4.1497 7.6518 112.9063 61.4363 62.9592 176.9375 61 K 3.9833 7.9646 121.9425 59.0125 31.8047 179.1527 62 A 4.1639 7.9980 121.1803 55.0801 18.0317 179.6095 63 L 4.0910 7.7982 116.8160 56.0739 41.7412 178.4923 64 G 3.9970 8.0553 106.4443 45.3077 0.0000 173.7202 65 T 4.2599 7.6206 109.0569 60.2809 70.9220 175.7882 66 G 4.0302 7.7864 110.3402 45.7433 0.0000 173.6789 67 I 3.9283 7.9017 117.6316 59.6226 35.8267 174.6710 68 A 4.4019 8.3524 124.7664 51.9176 22.4450 176.2885 69 Q 3.5264 9.8099 115.3861 57.0990 26.1713 175.4122 70 G 3.9777 8.4535 107.3362 45.2270 0.0000 175.0465 71 V 3.9192 7.7627 120.8199 62.8725 32.2184 174.9515 72 T 4.8713 8.2753 115.2030 59.3723 72.3017 174.6455 73 F 4.3499 8.7489 120.1273 61.0723 39.0017 177.3424 74 H 4.6374 7.9635 116.3360 57.7932 28.7200 176.1371 75 D 4.3632 8.1103 118.9595 54.9863 40.8066 175.4343 76 F 5.2811 7.8308 117.8326 55.7752 41.5634 174.9343 77 T 4.8166 8.9753 119.9459 61.8573 71.5662 172.8759 78 I 4.8899 9.0781 128.2088 60.0661 39.0546 175.3154 79 S 4.8301 8.8883 120.9157 57.4294 66.6976 172.1097 80 H 5.4439 8.6064 114.7520 54.5854 32.8375 173.6501 81 D 4.7507 8.8772 121.8223 52.0018 40.9232 177.3994 82 K 3.9626 8.5428 117.6970 59.1612 31.9329 178.1190 83 L 4.2929 8.1112 116.6231 54.7025 41.9003 177.4268 84 G 3.9868 8.2368 107.6829 44.3682 0.0000 173.8366 85 K 4.2055 8.0898 122.4867 55.7960 33.1318 174.2448 86 P 4.7705 0.0000 0.0000 62.7165 32.5288 175.5087 87 L 4.8459 8.9607 121.4281 52.8577 45.6955 175.0227 88 L 5.1408 8.5827 124.3611 53.3417 44.3620 175.3077 89 I 4.6324 8.7809 126.7335 59.5469 40.3205 174.7141 90 L 5.1270 8.5380 126.2483 53.7266 43.4952 175.5234 91 S 4.3171 8.5838 115.4620 57.5232 67.0658 174.1690 92 G 3.9800 8.7206 107.3646 46.5047 0.0000 175.2883 93 Q 3.9029 8.5789 118.0460 58.9124 28.9699 178.4820 94 A 3.8453 8.0877 121.8088 55.1548 18.2921 179.5101 95 A 3.8640 7.7397 118.9424 55.0204 18.3935 179.4054 96 E 3.8241 8.0278 117.7003 59.4798 29.7562 179.1280 97 L 3.9432 8.1940 119.0088 57.7726 41.6242 179.3434 98 A 4.0342 8.3158 121.3054 55.1325 18.2818 179.8380 99 S 4.0453 8.3084 112.9240 61.7592 62.8456 176.7099 100 Q 4.0092 7.8767 120.7545 58.5131 28.5682 178.1425 101 L 4.2167 7.7693 117.0271 54.3261 42.1017 176.6689 102 Q 3.5139 8.0321 117.0354 56.6012 26.7333 174.1757 103 V 3.8759 7.9235 117.5465 63.1675 32.0431 174.8560 104 E 4.7163 8.9994 126.3578 55.9847 31.9501 175.4328 105 N 5.0969 8.0176 115.7704 51.6049 43.2319 173.3474 106 I 4.9652 8.2701 122.7688 59.7953 40.6646 174.4783 107 H 5.0062 9.3609 123.4846 53.8763 32.2740 172.4462 108 L 5.2498 8.5080 123.4230 53.4843 45.3342 175.2070 109 S 4.8299 9.0569 119.1135 56.7407 66.2612 172.5536 110 I 5.0951 8.2386 124.3997 59.8859 40.6798 174.6765 111 S 4.6728 8.4200 118.0842 56.9847 65.4274 172.5714 112 D 5.0437 8.4059 124.4889 51.6771 42.4122 174.2588 113 E 4.7282 8.7620 117.6707 54.6674 32.6614 174.6100 114 R 3.9388 8.0067 118.2612 59.8041 30.0198 177.4388 115 H 4.6342 8.5800 112.2211 55.7066 30.8004 173.3741 116 Y 5.3209 7.8756 115.8413 56.0827 42.3026 174.3638 117 A 5.4443 9.2601 123.6118 49.1735 23.0846 174.8786 *119 A 4.5349 8.2203 119.1164 52.4941 20.5614 175.9829 120 T 5.1393 8.5927 114.9536 61.8163 73.1724 173.4032 121 V 5.0082 8.9843 124.7256 61.1899 35.2178 174.1750 122 I 5.0247 8.9610 127.6022 59.5119 40.9379 174.1573 123 L 5.2780 8.7800 126.4672 52.9394 44.1105 175.3779 124 E 5.0971 9.3418 121.3626 54.3508 33.4019 176.2070 125 R 4.2908 8.5228 116.6139 56.4076 29.7562 175.7945 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 0 A 8.26 4.16 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 *2 I 7.49 4.06 1.87 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 1.42 0.59 0.91 0.00 0.00 3 V 8.49 4.32 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 0.65 0.00 0.00 0.98 0.00 0.00 4 G 7.50 4.68 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 0.00 0.00 0.00 5 L 8.52 5.33 0.00 1.57 1.48 0.95 0.93 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 6 G 9.16 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 7 T 8.28 5.26 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 1.19 0.00 0.00 8 D 8.89 4.79 0.00 2.76 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 9 I 8.44 5.14 1.87 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.28 0.91 0.00 0.00 10 A 9.41 4.95 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 11 E 8.92 4.40 0.00 2.17 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 2.27 2.04 0.00 12 I 8.56 3.72 1.80 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 1.43 0.40 0.91 0.00 0.00 13 E 8.14 4.05 0.00 1.99 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 2.35 2.40 0.00 14 R 7.77 3.87 0.00 1.93 1.89 0.00 3.27 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 15 V 7.67 3.63 2.26 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 1.24 0.00 0.00 0.84 0.00 0.00 16 E 8.40 4.04 0.00 2.21 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 2.37 2.52 0.00 17 K 8.35 3.95 0.00 1.88 1.82 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.56 7.81 18 A 7.98 3.84 0.78 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 0.00 0.00 19 L 8.31 4.17 0.00 2.00 1.87 1.12 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.11 4.11 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 21 R 7.41 4.24 0.00 1.83 1.96 0.00 3.05 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 22 S 8.49 4.72 0.00 3.92 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 23 G 8.74 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 0.00 0.00 0.00 24 E 9.05 3.98 0.00 2.17 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 2.43 2.51 0.00 25 N 7.83 4.39 0.00 2.92 2.93 0.00 0.00 6.98 8.77 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 26 F 8.18 4.52 0.00 2.95 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 27 A 7.93 3.27 0.74 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 0.00 0.00 28 R 8.13 3.89 0.00 1.76 2.02 0.00 3.34 0.00 0.00 3.55 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 29 R 7.59 4.06 0.00 1.88 2.13 0.00 3.34 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 30 I 7.40 3.65 1.48 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.45 0.71 0.00 0.00 31 L 7.22 4.87 0.00 1.50 1.51 0.49 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.71 4.01 4.19 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 1.25 0.00 0.00 33 D 8.40 4.33 0.00 2.65 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 34 S 7.97 4.25 0.00 3.90 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 35 E 8.06 4.15 0.00 2.19 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 0.00 2.42 2.40 0.00 36 L 8.13 3.96 0.00 1.87 1.62 0.90 0.56 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 37 E 7.66 4.00 0.00 2.09 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 2.38 2.58 0.00 38 Q 8.04 4.13 0.00 2.47 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 39 F 8.00 2.75 0.00 2.63 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 40 H 8.36 3.98 0.00 3.10 3.26 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.22 4.13 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 42 S 7.00 4.15 0.00 3.59 3.46 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 43 K 8.45 4.41 0.00 1.73 1.76 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.35 7.81 44 Q 7.99 4.58 0.00 2.19 2.19 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 2.25 2.37 0.00 45 Q 7.89 3.97 0.00 1.89 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 1.46 2.10 0.00 46 G 8.10 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 47 R 8.01 4.02 0.00 2.05 2.03 0.00 3.14 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 48 F 8.46 4.07 0.00 3.24 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 49 L 8.83 4.14 0.00 2.03 1.78 0.57 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.31 4.11 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 51 K 8.00 3.94 0.00 1.90 1.80 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.49 7.81 52 R 7.79 3.86 0.00 2.01 1.98 0.00 3.41 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.78 0.00 53 F 8.73 4.05 0.00 3.09 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 54 A 8.67 4.71 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 55 A 8.18 3.85 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 56 K 8.28 3.48 0.00 1.91 1.82 0.00 1.88 0.00 0.00 2.19 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.71 7.81 57 E 8.09 3.61 0.00 1.92 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 2.03 1.74 0.00 58 A 8.03 3.87 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 59 A 7.85 3.86 0.96 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 60 S 7.65 4.15 0.00 4.05 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 61 K 7.96 3.98 0.00 1.93 1.85 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.55 7.81 62 A 8.00 4.16 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 63 L 7.80 4.09 0.00 1.91 1.78 1.00 1.07 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 64 G 8.06 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 65 T 7.62 4.26 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 1.21 0.00 0.00 66 G 7.79 4.03 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 0.00 0.00 0.00 67 I 7.90 3.93 1.71 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.08 0.78 0.00 0.00 68 A 8.35 4.40 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 69 Q 9.81 3.53 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 70 G 8.45 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 0.00 0.00 0.00 71 V 7.76 3.92 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 1.06 0.00 0.00 0.90 0.00 0.00 72 T 8.28 4.87 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 1.25 0.00 0.00 73 F 8.75 4.35 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 74 H 7.96 4.64 0.00 3.10 3.36 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.11 4.36 0.00 1.95 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 0.00 0.00 0.00 0.00 76 F 7.83 5.28 0.00 2.98 2.94 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 0.00 0.00 0.00 77 T 8.98 4.82 4.27 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 1.24 0.00 0.00 78 I 9.08 4.89 1.85 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 1.32 0.79 0.85 0.00 0.00 79 S 8.89 4.83 0.00 3.83 3.97 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 80 H 8.61 5.44 0.00 2.98 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.88 4.75 0.00 2.91 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 82 K 8.54 3.96 0.00 1.78 1.93 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.48 7.81 83 L 8.11 4.29 0.00 1.77 1.71 0.93 0.79 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 84 G 8.24 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 0.00 0.00 0.00 85 K 8.09 4.21 0.00 1.87 2.02 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.46 7.81 86 P 0.00 4.77 0.00 2.05 1.98 0.00 3.77 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 1.99 0.00 87 L 8.96 4.85 0.00 1.49 1.53 0.89 0.44 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 88 L 8.58 5.14 0.00 1.60 1.54 1.13 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.78 4.63 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 1.23 0.57 0.90 0.00 0.00 90 L 8.54 5.13 0.00 1.47 1.45 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.58 4.32 0.00 3.77 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 92 G 8.72 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 0.00 0.00 0.00 93 Q 8.58 3.90 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 94 A 8.09 3.85 0.90 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 0.00 0.00 95 A 7.74 3.86 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 96 E 8.03 3.82 0.00 2.09 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 0.00 2.28 2.38 0.00 97 L 8.19 3.94 0.00 1.84 1.69 0.91 0.88 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 98 A 8.32 4.03 1.32 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 0.00 0.00 0.00 99 S 8.31 4.05 0.00 4.04 4.19 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 0.00 100 Q 7.88 4.01 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 101 L 7.77 4.22 0.00 1.77 1.71 0.92 0.80 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 0.00 102 Q 8.03 3.51 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 103 V 7.92 3.88 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 0.76 0.00 0.00 0.96 0.00 0.00 104 E 9.00 4.72 0.00 1.94 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 2.20 2.28 0.00 105 N 8.02 5.10 0.00 2.79 2.57 0.00 0.00 6.93 7.22 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 0.00 106 I 8.27 4.97 1.84 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 1.34 0.59 0.91 0.00 0.00 107 H 9.36 5.01 0.00 3.01 3.15 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.51 5.25 0.00 1.56 1.46 0.89 0.81 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 0.00 109 S 9.06 4.83 0.00 3.90 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.24 5.10 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.76 0.90 0.00 0.00 111 S 8.42 4.67 0.00 3.81 3.65 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 0.00 112 D 8.41 5.04 0.00 2.92 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 0.00 113 E 8.76 4.73 0.00 2.03 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 2.28 2.37 0.00 114 R 8.01 3.94 0.00 1.68 1.92 0.00 3.14 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.50 0.00 115 H 8.58 4.63 0.00 3.04 2.61 0.00 5.61 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 0.00 116 Y 7.88 5.32 0.00 2.91 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 0.00 117 A 9.26 5.44 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 *119 A 8.22 4.53 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 0.00 120 T 8.59 5.14 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 1.24 0.00 0.00 121 V 8.98 5.01 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 1.05 0.00 0.00 0.90 0.00 0.00 122 I 8.96 5.02 1.91 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 1.23 0.66 0.98 0.00 0.00 123 L 8.78 5.28 0.00 1.60 1.56 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.34 5.10 0.00 1.99 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 0.00 2.39 2.25 0.00 125 R 8.52 4.29 0.00 2.01 1.94 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.