NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4791 8.3049 118.1979 55.1012 32.5486 174.2970 2 R 4.2804 9.8302 120.4754 54.5791 31.2566 175.2910 3 H 4.9348 9.4917 121.6804 54.8143 31.4649 173.8217 4 I 4.6026 8.1237 121.1090 60.0628 38.8467 176.7912 5 S 4.6145 9.0942 120.0454 56.9983 65.6526 173.7827 6 P 4.2728 0.0000 0.0000 65.9457 31.0864 178.9031 7 E 4.1505 8.1322 116.8841 59.3509 29.3986 179.0676 8 E 4.0433 8.0976 118.6689 58.9731 29.6284 179.1038 9 L 3.9634 7.9528 120.5610 58.1154 42.1447 178.8389 10 I 3.7146 8.2374 119.9976 64.6031 37.0664 178.2618 11 A 4.0008 8.0210 121.3143 55.0882 18.2117 179.5876 12 L 3.9715 8.1321 117.6496 58.1391 41.5648 179.2866 13 H 4.2527 8.0191 118.9275 58.7708 29.7305 176.6729 14 D 4.3610 8.2603 120.7355 57.7450 40.5339 179.3262 15 A 4.0929 7.5747 118.8408 55.3097 18.5547 179.1520 16 N 4.4580 8.1237 114.8841 56.2145 38.3694 177.5081 17 I 3.6822 7.9410 123.5170 65.2741 37.3543 178.8257 18 S 4.0342 7.9371 118.8601 63.7114 62.5353 179.6526 19 R 3.4796 8.1256 115.9140 56.9943 30.1841 183.5281 *27 S 4.5574 8.4605 118.1890 60.0162 62.5675 173.2534 28 D 4.5966 8.4099 127.4630 52.8111 39.3373 175.0948 29 P 3.7293 0.0000 0.0000 65.5646 32.4538 177.9456 30 G 3.6434 8.7490 108.9408 47.0163 0.0000 175.7970 31 R 3.7706 7.5317 121.3776 59.4230 30.1103 178.4043 32 A 4.0051 8.0669 122.4984 55.7175 18.4425 179.8281 *33 E 3.9202 7.9825 116.7806 61.1540 29.7902 181.0397 34 A 4.1247 7.9912 121.9372 55.0343 18.5046 179.6585 35 I 3.5140 7.5728 118.1608 64.7879 37.1889 178.8264 36 I 3.8528 7.9696 120.6138 64.2359 36.8968 178.7907 37 G 3.5637 8.5169 107.1660 47.6908 0.0000 175.7252 38 R 3.8360 8.4319 121.4736 59.0467 30.0410 178.8882 39 V 3.3363 7.5325 117.8924 66.1560 31.6344 178.1529 40 Q 3.9868 8.1301 117.5027 58.5786 28.4444 178.8294 41 A 3.9775 7.9253 121.9838 55.3886 18.4672 179.8934 42 R 3.9565 7.7147 116.1282 59.4871 29.9775 179.7236 43 V 3.6761 7.9057 111.9755 63.8807 31.3881 178.2813 44 A 4.0792 7.8068 119.5522 54.9627 18.3149 178.4508 45 Y 3.9682 8.6728 118.9959 60.5832 38.7192 176.6706 46 E 4.5049 8.8710 121.4074 56.1230 31.0621 176.6932 *47 E 3.7133 7.6427 110.9629 57.4678 27.1796 179.5697 48 I 4.4632 8.0990 121.2653 60.4772 38.7856 176.7073 49 T 4.4004 8.3642 120.7256 63.4634 70.8148 174.3708 50 D 4.5154 7.9875 121.4430 53.6186 41.9200 176.0198 51 L 3.8475 8.6350 128.0136 58.3639 41.5495 179.6195 52 F 4.3162 7.9965 116.7938 60.4141 38.9724 177.5433 53 E 4.0709 8.4896 118.0313 59.1676 29.2409 179.4844 54 V 3.6345 7.8929 118.6402 65.8126 31.6291 178.0532 55 S 4.2250 8.6000 113.2403 61.4750 62.3343 176.0646 56 A 4.1167 8.3593 123.5392 55.3277 18.0224 179.7579 57 T 3.7729 8.0044 114.4007 67.0889 68.4608 176.2283 58 Y 4.0891 8.0222 118.5991 61.0876 37.8426 178.8249 59 L 4.0002 7.8302 120.6030 58.2503 42.2768 179.2669 60 V 3.6125 7.8184 117.9270 65.9049 31.6288 177.9077 61 A 3.9975 8.4785 120.9474 55.1147 18.0638 179.7868 62 T 3.9695 8.3205 114.6118 66.3939 68.4930 176.8322 63 A 4.0455 8.0029 122.7408 55.5897 18.2883 180.0845 64 R 3.9164 7.8939 114.7231 58.9751 30.4735 177.0953 65 G 4.0819 7.6028 102.8402 46.0598 0.0000 172.9939 66 Y 3.4972 7.5760 114.0090 58.1599 36.0994 169.4662 67 I 3.9859 7.2852 120.9975 60.5962 37.4878 175.2320 68 F 4.8971 8.4348 124.1967 55.8577 40.8900 176.4434 69 N 4.7807 8.6168 122.7676 52.8010 37.3865 173.6819 70 D 4.8662 7.6973 120.6443 50.7013 43.0308 176.1436 71 A 4.0387 8.8518 118.8125 56.2721 18.2865 179.7717 72 N 4.4113 8.2786 114.2963 56.2055 38.1861 177.5053 73 K 4.1227 8.0521 120.1792 59.4757 32.2671 179.2319 74 R 4.0266 8.0211 118.1166 59.3555 29.6345 178.9721 75 T 3.8657 8.1127 115.4210 66.5209 68.3655 176.3602 76 A 4.0343 7.5979 121.2254 55.2183 18.4491 179.5263 77 L 3.9392 7.6307 117.8930 58.2423 42.0790 178.6586 78 N 4.3342 8.8516 117.1353 56.4545 38.5108 177.4670 79 S 4.0616 8.3282 115.3440 61.4761 62.9697 176.4332 80 A 4.0347 7.8845 124.2378 54.7755 18.0347 179.5798 81 L 3.9719 8.0359 117.5273 57.4906 41.8194 179.2494 82 L 3.9104 8.7614 121.1702 58.1278 41.7810 178.8705 83 F 4.2021 8.0753 119.7092 61.0295 39.5951 176.9254 84 L 3.9702 7.9787 121.2588 58.3364 41.5481 179.9691 85 R 4.0789 7.8397 121.9764 61.0998 29.0811 180.5912 86 R 4.1157 7.9924 117.7432 58.3388 30.0751 177.6807 87 N 4.8594 7.6141 115.1110 52.6357 40.1149 175.7736 88 G 3.8000 7.8435 107.2021 45.4096 0.0000 173.9826 89 V 4.1444 7.1934 119.9017 60.6802 32.6735 174.8147 90 Q 4.1713 8.5527 128.9433 55.7395 29.7102 175.1904 91 V 3.6229 7.8593 123.1325 59.7292 34.4034 174.2773 92 F 4.8980 7.2803 114.6645 55.6571 40.5222 173.0817 93 D 4.6391 8.7107 121.0381 54.1513 41.6957 175.1881 94 S 4.8514 8.2243 118.4778 56.1330 65.7321 172.9129 95 P 4.3529 0.0000 0.0000 65.3303 31.5020 178.6432 96 E 4.1003 8.1886 117.6186 59.1680 28.9511 179.0838 97 L 4.1254 7.7542 118.9662 57.3758 41.5076 179.3127 98 A 4.0243 7.9255 120.5700 55.3083 18.6320 179.1611 99 D 4.3254 8.0292 116.3288 56.5839 40.8866 178.5907 100 L 3.9729 7.4241 120.2611 58.2465 42.1062 179.0447 101 T 3.8393 7.6164 115.4381 66.5776 68.4662 176.8226 102 V 3.6205 7.3701 119.6496 66.1686 31.5506 178.2324 103 G 3.6718 7.9943 104.6849 47.6946 0.0000 175.4727 104 A 4.1121 8.2910 122.9871 55.0866 18.2355 179.5350 105 A 3.9851 8.3408 118.7169 55.0598 18.5655 179.0573 106 T 4.2660 7.9266 105.3828 61.3875 69.5181 176.0815 107 G 3.9595 7.6964 109.2326 45.8575 0.0000 174.6896 108 E 4.0141 7.7999 118.2921 58.4042 29.6370 177.2920 109 I 4.3562 7.6506 120.3540 59.2673 38.5916 176.4390 110 S 4.3357 8.4512 120.8059 57.6932 65.1201 174.9435 111 V 3.5110 8.3554 122.9778 66.8870 31.2039 178.6244 112 S 4.2383 8.0618 113.8752 61.7368 62.7054 176.8805 113 S 4.1276 7.8296 117.0793 61.3027 62.5348 176.7230 114 V 3.5470 8.2147 121.2364 66.1131 31.3162 177.9510 115 A 4.0261 8.4659 120.7679 55.2381 18.1937 179.1366 116 D 4.3648 8.0275 116.6280 57.7391 41.3292 178.6530 117 T 3.8941 8.0136 116.4100 66.3452 68.3764 176.9351 118 L 3.7876 7.9167 121.0963 57.6121 41.6544 179.2018 119 R 3.9738 8.6157 121.5435 60.3028 29.7094 179.4542 120 R 3.9383 7.6597 119.1589 61.3466 29.5131 180.4219 121 L 4.2231 7.4889 118.8081 57.0328 41.5878 177.7029 122 Y 4.8897 7.7133 114.1312 58.2398 40.1232 176.5275 123 G 3.8798 8.1158 110.6972 45.4986 0.0000 174.4723 124 S 4.3693 8.4612 114.7623 58.2005 62.4109 174.6373 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 M 8.30 4.48 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.65 0.00 2 R 9.83 4.28 0.00 1.79 1.86 0.00 3.31 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 3 H 9.49 4.93 0.00 3.22 3.31 0.00 5.68 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 4 I 8.12 4.60 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.69 0.95 0.00 0.00 5 S 9.09 4.61 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 6 P 0.00 4.27 0.00 2.18 2.14 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 7 E 8.13 4.15 0.00 2.11 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 2.40 1.97 0.00 8 E 8.10 4.04 0.00 2.26 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 2.32 0.00 9 L 7.95 3.96 0.00 1.78 1.82 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.24 3.71 1.89 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 1.47 0.52 0.93 0.00 0.00 11 A 8.02 4.00 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 12 L 8.13 3.97 0.00 1.92 1.77 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.02 4.25 0.00 3.39 3.48 0.00 5.86 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 14 D 8.26 4.36 0.00 2.71 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 15 A 7.57 4.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.12 4.46 0.00 2.94 2.89 0.00 0.00 6.98 7.14 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 17 I 7.94 3.68 2.02 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.34 0.87 0.00 0.00 18 S 7.94 4.03 0.00 3.75 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 19 R 8.13 3.48 0.00 1.88 1.71 0.00 3.27 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 *27 S 8.46 4.56 0.00 3.92 3.92 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 28 D 8.41 4.60 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 3.73 0.00 2.31 2.51 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 30 G 8.75 3.64 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 0.00 31 R 7.53 3.77 0.00 2.16 1.94 0.00 2.84 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.11 0.00 32 A 8.07 4.01 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 *33 E 7.98 3.92 0.00 1.94 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 2.25 2.20 0.00 34 A 7.99 4.12 1.31 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 35 I 7.57 3.51 1.91 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.70 0.96 0.00 0.00 36 I 7.97 3.85 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.74 0.97 0.00 0.00 37 G 8.52 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.43 3.84 0.00 1.93 1.84 0.00 3.02 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 39 V 7.53 3.34 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 0.22 0.00 0.00 0.46 0.00 0.00 40 Q 8.13 3.99 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 41 A 7.93 3.98 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 42 R 7.71 3.96 0.00 2.01 1.93 0.00 3.24 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 43 V 7.91 3.68 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 0.77 0.00 0.00 0.99 0.00 0.00 44 A 7.81 4.08 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 45 Y 8.67 3.97 0.00 3.19 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 46 E 8.87 4.50 0.00 2.25 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 2.38 2.38 0.00 *47 E 7.64 3.71 0.00 2.23 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 2.16 2.13 0.00 48 I 8.10 4.46 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 1.32 1.04 0.93 0.00 0.00 49 T 8.36 4.40 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 50 D 7.99 4.52 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 3.85 0.00 1.34 1.09 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.00 4.32 0.00 3.35 3.12 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 53 E 8.49 4.07 0.00 2.21 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 2.38 0.00 54 V 7.89 3.63 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 1.14 0.00 0.00 1.00 0.00 0.00 55 S 8.60 4.23 0.00 3.97 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 0.00 56 A 8.36 4.12 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 57 T 8.00 3.77 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 1.08 0.00 0.00 58 Y 8.02 4.09 0.00 3.23 2.99 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 59 L 7.83 4.00 0.00 1.80 1.85 0.96 1.05 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 60 V 7.82 3.61 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 0.94 0.00 0.00 0.94 0.00 0.00 61 A 8.48 4.00 1.31 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 62 T 8.32 3.97 4.40 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 1.46 0.00 0.00 63 A 8.00 4.05 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 64 R 7.89 3.92 0.00 1.76 1.97 0.00 3.10 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 65 G 7.60 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 0.00 0.00 0.00 0.00 66 Y 7.58 3.50 0.00 3.30 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 67 I 7.29 3.99 1.79 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 1.41 0.59 0.90 0.00 0.00 68 F 8.43 4.90 0.00 3.25 2.96 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 69 N 8.62 4.78 0.00 2.75 2.83 0.00 0.00 6.79 8.47 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 70 D 7.70 4.87 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.85 4.04 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 72 N 8.28 4.41 0.00 2.81 2.91 0.00 0.00 6.77 7.68 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 73 K 8.05 4.12 0.00 2.06 1.93 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 74 R 8.02 4.03 0.00 2.13 1.99 0.00 3.27 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 75 T 8.11 3.87 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 1.22 0.00 0.00 76 A 7.60 4.03 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 77 L 7.63 3.94 0.00 1.82 1.85 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.85 4.33 0.00 2.90 2.88 0.00 0.00 6.78 7.84 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 79 S 8.33 4.06 0.00 4.06 4.13 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 80 A 7.88 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 3.97 0.00 1.92 1.66 0.96 0.55 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 82 L 8.76 3.91 0.00 1.80 1.78 0.91 0.60 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 83 F 8.08 4.20 0.00 3.10 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 84 L 7.98 3.97 0.00 1.74 1.58 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.84 4.08 0.00 1.80 1.96 0.00 3.28 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.42 0.00 86 R 7.99 4.12 0.00 1.75 1.90 0.00 3.21 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 87 N 7.61 4.86 0.00 2.18 2.54 0.00 0.00 7.14 7.77 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 88 G 7.84 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.19 4.14 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 0.96 0.00 0.00 0.91 0.00 0.00 90 Q 8.55 4.17 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 91 V 7.86 3.62 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 0.64 0.00 0.00 -0.07 0.00 0.00 92 F 7.28 4.90 0.00 3.20 3.09 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 93 D 8.71 4.64 0.00 2.75 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 94 S 8.22 4.85 0.00 3.91 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 95 P 0.00 4.35 0.00 2.12 2.12 0.00 4.08 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 96 E 8.19 4.10 0.00 2.01 1.97 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 2.37 2.45 0.00 97 L 7.75 4.13 0.00 1.70 1.74 1.00 0.75 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 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 D 8.03 4.33 0.00 2.70 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 0.00 100 L 7.42 3.97 0.00 2.01 1.84 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.62 3.84 4.25 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 0.00 0.00 1.27 0.00 0.00 102 V 7.37 3.62 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 0.99 0.00 0.00 0.93 0.00 0.00 103 G 7.99 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 0.00 104 A 8.29 4.11 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 0.00 105 A 8.34 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 0.00 106 T 7.93 4.27 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 0.00 107 G 7.70 3.96 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 0.00 108 E 7.80 4.01 0.00 2.26 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 2.34 2.15 0.00 109 I 7.65 4.36 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 1.34 0.54 0.90 0.00 0.00 110 S 8.45 4.34 0.00 4.03 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 0.00 111 V 8.36 3.51 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 0.97 0.00 0.00 0.92 0.00 0.00 112 S 8.06 4.24 0.00 3.90 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 0.00 113 S 7.83 4.13 0.00 4.02 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 0.00 114 V 8.21 3.55 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 1.01 0.00 0.00 0.95 0.00 0.00 115 A 8.47 4.03 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 0.00 116 D 8.03 4.36 0.00 3.02 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 0.00 117 T 8.01 3.89 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 1.14 0.00 0.00 118 L 7.92 3.79 0.00 1.76 1.85 0.98 0.90 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 0.00 119 R 8.62 3.97 0.00 1.93 1.94 0.00 3.10 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 120 R 7.66 3.94 0.00 1.98 1.83 0.00 3.32 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 121 L 7.49 4.22 0.00 0.80 0.57 0.64 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 7.71 4.89 0.00 3.02 2.88 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 0.00 123 G 8.12 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 0.00 0.00 0.00 124 S 8.46 4.37 0.00 3.65 3.64 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 * Residues marked with a * may have inaccurate shift predictions.