NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 Y 4.7419 8.1449 118.2616 58.0203 39.2040 174.2422 22 Y 4.6561 8.9957 123.7206 55.7918 39.5726 174.3112 23 T 4.6773 10.2457 115.2155 61.0152 71.0587 175.5457 24 I 3.8396 8.7394 122.9650 64.6176 36.9988 178.9530 25 G 3.6078 8.0943 106.1461 47.8035 0.0000 175.7404 26 Q 4.0486 7.7945 119.2845 58.6660 28.8709 178.4074 27 V 3.4922 7.8203 118.3989 65.8437 31.7405 177.5827 28 A 4.2043 8.2377 120.7559 54.9307 18.0851 180.1356 29 K 4.2283 7.6026 114.0843 57.1320 31.7489 178.5237 *31 Q 4.2473 7.8680 116.0901 54.8967 30.3198 174.7264 32 H 4.1523 7.9330 113.4267 57.1846 26.8047 174.2630 33 L 4.9688 8.2180 117.0803 52.7605 45.4236 177.1370 34 T 4.4575 8.8381 111.2402 60.8436 71.4965 175.9926 35 I 3.7530 8.1925 122.6113 64.6952 37.1337 178.8026 36 S 4.1218 8.0389 115.4978 61.6835 62.7220 176.6223 37 Q 3.7441 7.9528 120.5136 58.9668 28.4105 178.9045 38 I 3.9526 7.5773 120.3768 64.6382 37.1259 178.7939 39 R 4.0367 8.3183 118.9763 59.2588 29.7847 178.5615 40 Y 4.0800 7.9421 119.5750 60.8531 38.8996 177.5083 41 Y 4.3255 7.6289 119.0499 60.3716 37.8072 177.9540 42 D 3.9426 8.2384 119.1005 57.2214 41.1812 178.1509 43 K 3.7732 7.9317 119.0561 59.6152 32.3146 178.0896 44 Q 4.0097 7.7130 116.7584 56.4405 28.2791 177.4784 45 G 3.7916 7.7814 108.5927 45.7724 0.0000 174.7108 46 L 4.0210 7.1411 119.5198 55.7387 42.6556 177.3790 47 F 4.1058 7.0647 117.5118 55.5087 38.6674 174.4979 48 P 4.2749 0.0000 0.0000 64.3408 31.8494 177.5515 49 F 4.6222 6.5403 112.9066 56.9088 38.4909 175.8391 50 L 4.2260 6.9926 121.5605 55.1096 42.3706 175.8265 51 Q 4.7377 8.4447 118.6599 54.6788 32.6277 173.7391 52 R 5.7516 8.6152 116.9881 53.8072 32.9801 176.5687 53 N 4.5815 8.2840 119.5395 51.5466 39.7293 175.2354 54 E 3.8607 8.5752 116.4520 59.4999 29.4604 178.1949 55 K 4.1435 8.1349 115.5418 56.3631 32.4366 177.6318 56 G 3.9090 8.2913 107.9276 45.0735 0.0000 173.3966 57 D 4.5147 8.2037 120.4618 54.0241 42.5963 175.5739 58 R 4.7718 8.6582 124.9100 55.9824 30.4184 175.7106 59 I 5.0519 8.9646 118.1290 59.1211 41.5306 174.3103 60 F 5.0620 9.7551 122.2129 55.9597 41.2998 175.7964 61 N 4.8183 8.8461 121.6810 51.5786 39.7694 175.6491 62 E 3.9545 8.8859 117.5269 59.9391 29.3728 179.3411 63 E 3.7413 8.2039 118.1560 59.1016 29.6469 178.3811 64 A 3.8701 8.9485 121.1756 55.3038 18.3944 179.6316 65 L 4.0418 8.1672 117.4169 57.8784 41.4274 179.9361 66 K 3.9251 7.5069 117.3607 59.6698 32.0265 178.7205 67 Y 4.4097 7.5904 116.0650 60.8264 37.9023 178.0194 68 L 4.4505 8.3541 121.7225 58.1073 42.2007 178.7750 69 E 4.0351 8.2575 115.9220 57.6316 29.4828 178.1399 *71 I 4.1995 7.6277 119.4032 61.2436 39.3511 177.9924 72 L 3.9360 8.1555 120.1684 57.6596 41.0913 179.0031 73 C 4.0450 7.9966 117.8047 62.6936 31.8876 175.4599 74 L 4.2458 7.7491 121.2625 56.9926 41.3218 179.3054 75 K 3.9268 8.3310 119.9872 59.5118 32.0262 178.1173 76 N 4.7681 8.6976 114.1398 54.3693 38.5832 175.5602 77 T 4.3161 7.5541 110.6730 60.9036 69.1172 170.4728 78 G 3.7837 7.7270 116.4365 45.7381 0.0000 172.4080 *80 P 4.1686 0.0000 0.0000 61.3105 33.8125 177.1010 81 I 3.6266 8.2675 123.0562 65.0773 37.1050 178.3512 82 Q 3.9431 8.1463 117.8381 59.1621 28.5048 179.2436 83 K 3.8905 7.8036 119.8576 59.3052 32.2469 178.8779 84 I 3.7639 7.7082 120.1691 64.3793 37.0066 178.4346 85 K 3.8653 8.3429 119.7424 59.5074 31.8408 179.0884 86 Q 3.5218 7.8665 119.7396 58.8974 28.8803 178.1614 87 F 4.1932 7.9632 121.5738 61.3648 39.2258 177.1856 88 I 3.3575 7.8648 118.6734 64.2038 36.9360 177.7841 89 D 4.4430 7.9665 119.0513 57.2894 40.4895 178.5943 90 W 4.6643 7.9587 119.2466 59.8372 28.7537 179.3215 91 S 4.1088 7.5241 111.0378 59.4420 62.3369 175.2571 *93 E 4.2238 8.2426 123.1601 55.1862 31.4101 174.7408 94 G 3.7386 7.5702 102.5429 43.9462 0.0000 173.8444 95 D 4.4908 8.6820 116.2408 54.7166 39.1208 177.8694 96 S 4.1937 7.9259 114.5889 60.4133 62.7345 174.1905 97 T 4.0705 7.7587 108.9229 61.0878 69.2719 175.3659 98 I 3.5832 7.4613 123.8311 64.9041 37.7531 177.6997 99 L 3.9612 7.6447 118.9853 57.9191 41.5117 178.9670 100 H 3.9368 7.5896 115.7237 58.7118 28.2752 177.9803 101 R 4.2669 7.8474 118.9310 59.1688 30.0664 178.3297 102 L 4.1310 7.8267 118.9585 58.1441 42.2728 178.4174 103 K 4.0623 8.0357 119.3528 59.5642 32.0049 178.8330 104 L 4.2716 7.7126 116.1940 56.3111 41.7782 178.3066 *106 K 4.2291 7.9676 118.7725 56.1561 34.1755 177.9663 107 Q 3.9757 8.3448 119.5283 59.1696 28.8979 178.0367 108 Q 3.9299 8.3457 120.8019 58.7207 28.9617 177.6742 109 E 3.8543 8.1338 119.9039 59.1503 29.8251 178.3467 110 A 3.9887 8.0690 120.7684 55.4354 18.4655 179.3690 111 N 4.2892 8.3126 115.0621 56.4928 38.5381 177.8845 112 V 3.6660 8.3269 120.0271 65.7259 31.5350 178.1115 113 L 3.9728 8.3029 119.3861 57.7571 41.4347 179.2466 114 Q 3.9436 8.0949 119.5211 58.9431 28.9712 178.1428 115 L 3.9568 7.8929 120.0432 57.8894 41.6318 179.4866 116 I 3.6485 7.8625 119.6113 64.4470 37.1545 178.0981 117 Q 4.1236 8.1960 120.3271 59.6273 28.8691 178.3880 118 D 4.3929 8.5964 120.0965 57.6221 40.7394 178.9421 119 T 3.9619 8.6106 116.7123 66.4666 68.4139 176.7284 120 E 3.9483 8.5485 121.1287 59.1577 29.3231 179.1701 121 K 3.9344 7.9991 119.5754 59.6980 32.2678 178.6648 122 N 4.3747 8.1711 116.7846 56.0109 38.3523 177.1641 123 L 3.9547 8.1625 122.2459 57.9824 42.0722 178.9521 124 K 3.9140 8.1413 119.5621 59.3799 32.1084 178.9355 125 K 3.9235 7.8348 118.6931 59.4715 31.9839 179.3316 126 I 3.6750 7.7838 119.9505 64.6548 37.0905 178.6118 127 Q 4.0254 8.4050 119.1281 58.9613 28.4028 178.8540 128 Q 3.9600 8.3529 119.5017 58.7422 28.7396 178.5952 129 K 3.6253 8.0935 120.7055 59.4145 31.9109 178.9386 130 I 3.7448 7.3980 119.1326 64.1125 37.0525 177.9808 131 A 4.1059 7.6873 120.7698 54.9918 18.3292 179.0287 132 K 3.9024 7.9360 117.2620 59.9840 32.2699 176.6994 133 Y 4.7187 7.5688 119.8728 58.4185 37.9404 175.6344 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 21 Y 8.14 4.74 0.00 2.84 3.03 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 22 Y 9.00 4.66 0.00 2.99 2.90 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 23 T 10.25 4.68 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 1.36 0.00 0.00 24 I 8.74 3.84 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.95 1.01 0.00 0.00 25 G 8.09 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 0.00 0.00 0.00 26 Q 7.79 4.05 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 27 V 7.82 3.49 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 0.37 0.00 0.00 0.23 0.00 0.00 28 A 8.24 4.20 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 29 K 7.60 4.23 0.00 1.95 1.84 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.71 7.81 *31 Q 7.87 4.25 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.96 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 32 H 7.93 4.15 0.00 3.25 3.36 0.00 5.61 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.22 4.97 0.00 1.61 1.70 1.14 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.84 4.46 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 35 I 8.19 3.75 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.46 0.95 0.00 0.00 36 S 8.04 4.12 0.00 3.83 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.95 3.74 0.00 2.19 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 38 I 7.58 3.95 1.99 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.90 1.23 0.00 0.00 39 R 8.32 4.04 0.00 2.11 2.03 0.00 3.16 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 40 Y 7.94 4.08 0.00 3.04 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 41 Y 7.63 4.33 0.00 3.06 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 0.00 0.00 0.00 0.00 42 D 8.24 3.94 0.00 3.17 2.90 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 43 K 7.93 3.77 0.00 1.84 1.80 0.00 1.92 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.45 7.81 44 Q 7.71 4.01 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.43 0.00 0.00 0.00 0.00 0.00 1.93 1.66 0.00 45 G 7.78 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.14 4.02 0.00 1.03 1.45 0.71 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.06 4.11 0.00 2.72 2.02 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 48 P 0.00 4.27 0.00 2.10 2.06 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 49 F 6.54 4.62 0.00 3.18 3.16 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 0.00 0.00 0.00 50 L 6.99 4.23 0.00 1.43 1.48 -0.22 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 8.44 4.74 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 52 R 8.62 5.75 0.00 1.64 1.81 0.00 3.22 0.00 0.00 4.01 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.39 0.00 53 N 8.28 4.58 0.00 2.85 2.88 0.00 0.00 6.19 7.66 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 54 E 8.58 3.86 0.00 1.94 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 2.25 2.25 0.00 55 K 8.13 4.14 0.00 1.88 1.84 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.42 7.81 56 G 8.29 3.91 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 0.00 0.00 0.00 57 D 8.20 4.51 0.00 2.85 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 58 R 8.66 4.77 0.00 1.79 1.87 0.00 3.19 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 59 I 8.96 5.05 2.17 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.09 1.07 0.00 0.00 60 F 9.76 5.06 0.00 2.99 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.85 4.82 0.00 2.51 3.03 0.00 0.00 6.22 7.66 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 62 E 8.89 3.95 0.00 1.95 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 2.35 2.31 0.00 63 E 8.20 3.74 0.00 1.95 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 2.22 2.00 0.00 64 A 8.95 3.87 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 0.00 0.00 65 L 8.17 4.04 0.00 1.87 1.67 0.73 1.02 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 66 K 7.51 3.93 0.00 1.58 1.71 0.00 1.56 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.63 7.81 67 Y 7.59 4.41 0.00 2.50 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 68 L 8.35 4.45 0.00 2.04 1.89 1.10 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.26 4.04 0.00 2.06 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 2.32 2.36 0.00 *71 I 7.63 4.20 2.28 0.00 0.00 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 1.66 1.05 0.96 0.00 0.00 72 L 8.16 3.94 0.00 1.85 1.74 1.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 73 C 8.00 4.04 0.00 3.06 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.75 4.25 0.00 1.67 1.62 0.55 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.33 3.93 0.00 1.78 1.86 0.00 1.26 0.00 0.00 1.42 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.41 1.43 7.81 76 N 8.70 4.77 0.00 2.75 2.85 0.00 0.00 6.90 8.10 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 77 T 7.55 4.32 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 1.22 0.00 0.00 78 G 7.73 3.78 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 0.00 *80 P 0.00 4.17 0.00 2.17 2.00 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 81 I 8.27 3.63 1.84 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 1.60 0.62 0.82 0.00 0.00 82 Q 8.15 3.94 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 83 K 7.80 3.89 0.00 1.78 1.89 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.50 7.81 84 I 7.71 3.76 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.71 0.98 0.00 0.00 85 K 8.34 3.87 0.00 1.82 1.76 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.54 7.81 86 Q 7.87 3.52 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.30 0.00 87 F 7.96 4.19 0.00 3.19 3.28 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 0.00 88 I 7.86 3.36 1.97 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.96 0.86 0.00 0.00 89 D 7.97 4.44 0.00 2.53 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 90 W 7.96 4.66 0.00 3.53 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 91 S 7.52 4.11 0.00 3.75 4.04 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 *93 E 8.24 4.22 0.00 2.27 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 0.00 2.28 2.63 0.00 94 G 7.57 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 0.00 0.00 0.00 95 D 8.68 4.49 0.00 2.82 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 96 S 7.93 4.19 0.00 3.82 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 97 T 7.76 4.07 3.76 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 1.13 0.00 0.00 98 I 7.46 3.58 1.91 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 1.51 1.18 0.90 0.00 0.00 99 L 7.64 3.96 0.00 1.55 1.62 0.89 1.08 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 0.00 100 H 7.59 3.94 0.00 2.23 1.31 0.00 5.64 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 0.00 101 R 7.85 4.27 0.00 2.02 2.33 0.00 3.26 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.94 0.00 102 L 7.83 4.13 0.00 1.74 1.87 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.04 4.06 0.00 1.98 2.03 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.48 7.81 104 L 7.71 4.27 0.00 2.33 1.86 1.20 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 *106 K 7.97 4.23 0.00 2.04 1.89 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.65 7.81 107 Q 8.34 3.98 0.00 2.19 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 108 Q 8.35 3.93 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 109 E 8.13 3.85 0.00 2.06 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 0.00 2.37 2.37 0.00 110 A 8.07 3.99 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 0.00 111 N 8.31 4.29 0.00 2.99 2.87 0.00 0.00 6.71 8.00 0.00 0.00 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 V 8.33 3.67 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 1.10 0.00 0.00 0.98 0.00 0.00 113 L 8.30 3.97 0.00 1.86 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.09 3.94 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 115 L 7.89 3.96 0.00 1.92 1.70 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.86 3.65 2.03 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 1.64 0.99 0.91 0.00 0.00 117 Q 8.20 4.12 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 118 D 8.60 4.39 0.00 2.80 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 0.00 119 T 8.61 3.96 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 0.00 120 E 8.55 3.95 0.00 2.14 1.99 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 2.33 2.60 0.00 121 K 8.00 3.93 0.00 1.89 2.01 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 122 N 8.17 4.37 0.00 2.94 2.84 0.00 0.00 6.67 6.73 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 0.00 123 L 8.16 3.95 0.00 1.82 1.86 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.14 3.91 0.00 1.99 1.90 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 125 K 7.83 3.92 0.00 1.94 1.82 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.65 7.81 126 I 7.78 3.68 2.03 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 1.77 0.86 0.92 0.00 0.00 127 Q 8.41 4.03 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.67 0.00 128 Q 8.35 3.96 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 129 K 8.09 3.63 0.00 1.80 1.83 0.00 1.17 0.00 0.00 1.15 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 0.68 7.81 130 I 7.40 3.74 2.06 0.00 0.00 0.88 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 0.83 0.94 0.00 0.00 131 A 7.69 4.11 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 0.00 132 K 7.94 3.90 0.00 1.69 1.72 0.00 1.72 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.46 7.81 133 Y 7.57 4.72 0.00 3.16 2.72 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 * Residues marked with a * may have inaccurate shift predictions.