NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *20 H 4.7817 8.4293 117.3738 54.7057 29.7055 172.1036 21 T 4.6277 8.1317 111.0137 59.2154 71.9366 171.1829 22 G 4.4249 7.9528 108.6920 43.6664 0.0000 172.8203 23 G 4.4568 9.1894 105.3401 44.9479 0.0000 172.1759 24 I 5.6346 7.7839 119.8686 58.3839 41.4466 174.5631 *26 I 4.0803 8.2238 122.0978 61.7316 38.2623 175.4591 27 S 4.8590 8.5374 119.0809 56.1925 65.1427 175.3665 28 S 4.2812 8.5072 115.7358 60.5868 62.9253 174.9505 29 T 4.1167 7.7812 110.0261 62.0000 69.4053 175.3489 30 G 3.9227 8.3262 111.6121 45.0342 0.0000 172.2936 31 E 4.8054 8.2541 121.6166 55.1981 31.3273 175.3181 32 V 4.7958 9.1685 126.4369 61.0792 35.0931 174.1316 33 R 5.1517 8.6921 123.5601 54.3397 32.8921 174.4680 34 V 4.9253 8.6299 120.6341 61.3470 35.1269 174.0199 35 D 5.0096 9.3694 126.8654 52.9089 44.5269 174.3461 36 N 5.0065 9.4640 123.9084 51.4264 41.0073 176.0045 37 G 3.9414 8.7592 118.6404 46.6864 0.0000 174.8108 38 S 4.3352 8.9291 120.1647 59.0272 63.6882 173.5938 39 F 4.3866 8.1412 125.5413 57.8801 39.6090 173.6021 40 H 5.2419 7.8946 124.4248 54.0545 31.9824 172.7817 41 S 4.5887 8.6851 117.3529 56.7795 67.2728 173.2526 42 D 4.8986 8.2194 120.0890 53.9380 43.3837 174.1214 43 V 4.9980 9.0589 119.7352 59.4777 36.3197 174.2448 44 D 5.3718 9.3130 123.4026 52.4548 43.7851 174.6665 45 V 4.8971 8.3148 125.8237 61.1163 33.7613 174.7072 46 S 4.8242 8.8662 120.9273 57.2551 66.7351 172.6935 47 A 5.2415 8.2708 121.0560 51.0685 22.2247 175.7531 48 V 4.6551 8.9524 112.5840 59.9896 36.7084 174.3342 49 T 5.1204 8.4852 112.7791 60.5378 70.6066 173.8324 50 T 4.8014 8.7308 114.0639 59.6841 72.5673 172.9588 51 Q 4.5505 8.6911 121.1708 55.9845 29.6158 175.3763 52 A 4.8978 8.6814 125.3818 49.8357 22.4569 175.7085 53 E 4.0871 8.6874 116.4059 57.1229 30.1711 176.7824 54 A 3.5475 9.4686 120.8584 53.5087 15.9974 178.8160 55 G 3.9222 8.6509 105.8680 46.9758 0.0000 174.4093 56 F 4.2375 8.1551 118.5693 56.5750 40.9799 174.7197 57 L 5.2525 8.2677 119.4936 53.1336 45.3529 175.3299 58 R 5.1281 9.0158 120.9255 54.5610 33.2524 174.2446 59 A 4.5713 9.4409 128.9646 51.5668 20.0970 176.2577 60 R 4.8351 9.2868 121.3325 54.4348 33.4493 175.0153 61 G 4.6115 9.6959 111.5366 44.6907 0.0000 171.7612 62 T 4.9816 9.0304 117.5287 61.4881 72.4186 173.0834 63 I 4.7765 8.3536 126.0815 59.6265 40.6002 174.2469 64 I 4.6949 8.6910 128.5185 59.4311 40.2388 174.7663 65 S 4.9570 8.9210 122.1370 56.7577 64.0860 174.2899 66 K 4.9565 9.0022 126.9509 56.0928 33.1283 176.0075 67 S 4.8004 8.1139 113.7147 55.8078 66.2932 173.3537 68 P 4.2609 0.0000 0.0000 65.3219 31.5995 176.4456 69 K 4.6213 7.6250 116.8261 54.8949 33.7154 176.7835 70 D 4.6825 8.6936 122.5049 55.1449 42.3391 175.2869 71 Q 4.7961 9.3765 122.7668 54.3937 32.2018 174.2696 72 R 4.9087 8.7910 126.0223 55.9176 31.2829 175.5777 73 L 4.9536 9.1095 122.8866 54.7932 44.9549 174.4323 74 Q 5.4683 9.2013 117.1479 54.4899 32.9344 174.4247 75 Y 5.7857 8.9291 119.2103 55.9512 42.1891 173.8451 76 K 4.4559 8.6413 117.2181 56.0791 36.0173 174.5497 77 F 5.2642 8.8199 120.7033 56.7373 40.7666 175.0997 78 T 4.7976 8.8609 110.9908 59.7467 72.4003 172.6924 79 W 5.2056 8.2992 121.0742 55.2123 33.3310 173.9881 80 Y 5.4033 9.1315 119.9606 56.5028 42.1899 175.1081 81 D 5.1608 8.6470 121.9682 51.2883 42.0932 176.8647 82 I 3.7499 8.4348 117.4963 64.2262 37.9836 176.5032 83 N 4.5028 8.2808 115.1733 53.6971 38.6837 175.8265 84 G 3.9250 8.3652 106.8122 45.0004 0.0000 173.5472 85 A 4.4656 8.4051 122.1861 51.5786 19.8978 177.5887 86 T 4.3416 8.5713 117.9226 63.5847 69.3719 174.1559 87 V 4.1507 8.3757 126.8350 61.0721 32.7862 175.4260 88 E 3.9462 8.8828 128.5268 56.9760 29.8999 176.3986 89 D 4.7719 8.2155 124.8943 51.6096 41.2403 173.6963 90 E 3.9762 8.2647 121.5427 56.9989 30.2937 177.1263 91 G 3.8463 8.7687 110.7242 46.7843 0.0000 173.3522 92 V 4.2965 7.9170 118.9113 60.5380 33.4945 174.2691 93 S 4.7180 8.1847 120.8167 55.7206 66.1345 173.0229 94 W 4.2890 8.6670 119.8996 57.0252 29.3736 176.1541 95 K 4.6278 8.6550 123.4976 54.6220 34.5494 175.7522 96 S 5.0887 8.6929 120.1767 58.2196 64.2003 173.5932 97 L 4.9134 9.1382 122.1600 52.9682 46.3144 175.3956 98 K 4.7851 8.7303 123.5341 54.7781 33.9406 175.2063 99 L 4.6010 8.8690 129.4947 54.0845 43.0112 176.8909 100 H 5.2616 9.2940 122.0642 54.1557 30.5029 175.3471 101 G 4.2237 8.7130 108.1562 46.5748 0.0000 173.5078 102 K 4.3951 8.6547 120.3460 56.3149 30.0684 175.2811 103 Q 4.2928 7.8278 120.3141 55.3923 29.8909 174.7286 104 Q 5.4188 7.9568 122.5626 53.1707 32.0695 174.0257 *106 Q 4.2497 8.3314 115.5975 55.9524 29.9793 175.0838 107 V 4.6540 8.3999 115.0741 59.9440 35.4020 174.5915 108 T 5.5749 8.8400 116.1278 60.2966 71.0714 172.6222 109 A 4.7797 7.9996 125.6790 50.5282 22.8095 175.1321 110 L 4.4792 8.5483 124.2645 54.2421 43.0952 176.4873 111 S 2.7900 8.2831 121.2066 57.5912 62.2035 172.6826 112 P 4.3716 0.0000 0.0000 64.7104 32.0001 175.4904 113 N 4.6693 7.1432 114.3592 51.3306 39.5789 174.9968 114 A 3.4494 7.8025 121.7393 54.1549 18.1852 178.8354 115 T 3.9722 8.3587 106.2226 62.8932 69.3994 174.7856 116 A 4.4875 7.5515 126.5845 52.5226 18.6544 177.4024 117 V 4.4853 8.8123 115.2899 61.3519 33.6612 175.9463 118 R 4.8416 8.0041 119.7710 55.2843 33.3304 173.0976 119 C 5.1596 8.5634 119.0035 56.3400 33.0330 172.6965 120 E 4.6497 8.8911 117.9314 54.5549 33.4201 174.3846 121 L 4.4697 8.3300 125.7803 53.7073 43.7072 174.8424 122 Y 4.7553 8.8236 124.0805 56.1802 40.8168 174.8596 123 V 5.3752 8.6682 122.7223 61.1553 34.6631 174.6117 124 R 4.9706 9.6097 123.9124 54.4138 32.6786 174.1011 125 E 5.0289 8.5248 117.3210 54.6760 32.9996 174.4550 126 A 4.2050 8.5195 124.5097 51.5948 19.6299 177.2452 127 I 3.4418 7.8719 123.7721 60.0126 38.5102 176.2123 128 S 3.9726 6.2993 117.2382 58.3876 62.9748 173.7516 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 *20 H 8.43 4.78 0.00 2.95 2.92 0.00 7.11 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.13 4.63 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 1.21 0.00 0.00 22 G 7.95 4.42 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 0.00 23 G 9.19 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 0.00 0.00 0.00 0.00 24 I 7.78 5.63 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 1.40 1.83 0.93 0.00 0.00 *26 I 8.22 4.08 1.87 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 1.48 0.49 0.91 0.00 0.00 27 S 8.54 4.86 0.00 3.95 3.95 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 28 S 8.51 4.28 0.00 3.99 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 29 T 7.78 4.12 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 1.20 0.00 0.00 30 G 8.33 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 0.00 0.00 0.00 31 E 8.25 4.81 0.00 2.07 1.81 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 2.26 2.39 0.00 32 V 9.17 4.80 2.10 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 1.06 0.00 0.00 0.94 0.00 0.00 33 R 8.69 5.15 0.00 2.00 1.97 0.00 2.95 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 34 V 8.63 4.93 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 1.28 0.00 0.00 1.02 0.00 0.00 35 D 9.37 5.01 0.00 2.60 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 36 N 9.46 5.01 0.00 2.82 2.78 0.00 0.00 6.71 8.12 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 37 G 8.76 3.94 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 0.00 0.00 0.00 38 S 8.93 4.34 0.00 4.04 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 39 F 8.14 4.39 0.00 3.13 3.18 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 40 H 7.89 5.24 0.00 2.86 3.01 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.69 4.59 0.00 3.76 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 42 D 8.22 4.90 0.00 2.66 2.50 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 43 V 9.06 5.00 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 0.67 0.00 0.00 1.00 0.00 0.00 44 D 9.31 5.37 0.00 2.69 2.46 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 45 V 8.31 4.90 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 0.78 0.00 0.00 0.92 0.00 0.00 46 S 8.87 4.82 0.00 3.88 3.86 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 47 A 8.27 5.24 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 48 V 8.95 4.66 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 0.73 0.00 0.00 0.99 0.00 0.00 49 T 8.49 5.12 4.35 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 1.23 0.00 0.00 50 T 8.73 4.80 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 1.23 0.00 0.00 51 Q 8.69 4.55 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 52 A 8.68 4.90 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 53 E 8.69 4.09 0.00 1.99 1.87 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 2.40 2.24 0.00 54 A 9.47 3.55 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 55 G 8.65 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 0.00 0.00 0.00 56 F 8.16 4.24 0.00 3.24 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 57 L 8.27 5.25 0.00 1.74 1.73 1.11 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 58 R 9.02 5.13 0.00 1.87 1.78 0.00 3.11 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 59 A 9.44 4.57 0.24 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 60 R 9.29 4.84 0.00 1.70 1.84 0.00 3.09 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 61 G 9.70 4.61 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 62 T 9.03 4.98 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 1.19 0.00 0.00 63 I 8.35 4.78 1.79 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.14 0.89 0.00 0.00 64 I 8.69 4.69 1.86 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 1.10 0.65 0.90 0.00 0.00 65 S 8.92 4.96 0.00 3.89 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 66 K 9.00 4.96 0.00 1.57 1.73 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.33 7.81 67 S 8.11 4.80 0.00 3.79 3.84 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 68 P 0.00 4.26 0.00 2.22 2.32 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 69 K 7.63 4.62 0.00 1.62 1.76 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.45 7.81 70 D 8.69 4.68 0.00 2.66 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 71 Q 9.38 4.80 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 72 R 8.79 4.91 0.00 1.77 1.87 0.00 3.25 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 73 L 9.11 4.95 0.00 1.94 1.79 1.04 0.90 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 74 Q 9.20 5.47 0.00 2.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 75 Y 8.93 5.79 0.00 3.00 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 76 K 8.64 4.46 0.00 1.42 1.18 0.00 0.84 0.00 0.00 0.76 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.30 0.77 7.81 77 F 8.82 5.26 0.00 2.90 2.56 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 78 T 8.86 4.80 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 1.14 0.00 0.00 79 W 8.30 5.21 0.00 3.16 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 80 Y 9.13 5.40 0.00 2.95 2.89 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 81 D 8.65 5.16 0.00 2.91 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 82 I 8.43 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 1.42 0.70 0.92 0.00 0.00 83 N 8.28 4.50 0.00 2.91 2.87 0.00 0.00 7.05 7.65 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 84 G 8.37 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 0.00 0.00 0.00 85 A 8.41 4.47 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 86 T 8.57 4.34 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 1.12 0.00 0.00 87 V 8.38 4.15 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 0.63 0.00 0.00 0.97 0.00 0.00 88 E 8.88 3.95 0.00 1.93 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 2.28 2.36 0.00 89 D 8.22 4.77 0.00 2.81 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 90 E 8.26 3.98 0.00 1.98 1.87 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 2.30 2.24 0.00 91 G 8.77 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 92 V 7.92 4.30 2.22 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 0.94 0.00 0.00 1.03 0.00 0.00 93 S 8.18 4.72 0.00 4.01 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 94 W 8.67 4.29 0.00 3.15 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 95 K 8.66 4.63 0.00 0.79 1.46 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.34 7.81 96 S 8.69 5.09 0.00 3.80 3.84 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 97 L 9.14 4.91 0.00 1.63 1.56 0.88 1.08 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 K 8.73 4.79 0.00 1.74 1.68 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.18 1.40 7.81 99 L 8.87 4.60 0.00 1.79 1.58 0.92 0.87 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 0.00 100 H 9.29 5.26 0.00 3.20 3.25 0.00 5.84 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 G 8.71 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 0.00 0.00 0.00 0.00 102 K 8.65 4.40 0.00 1.92 1.90 0.00 1.80 0.00 0.00 2.44 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.30 7.81 103 Q 7.83 4.29 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 104 Q 7.96 5.42 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.27 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 *106 Q 8.33 4.25 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.51 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 107 V 8.40 4.65 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 0.00 0.00 0.69 0.00 0.00 108 T 8.84 5.57 4.29 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 1.27 0.00 0.00 109 A 8.00 4.78 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 0.00 110 L 8.55 4.48 0.00 1.63 1.52 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.28 2.79 0.00 2.78 3.49 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 0.00 112 P 0.00 4.37 0.00 2.20 2.16 0.00 2.78 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 113 N 7.14 4.67 0.00 2.82 2.84 0.00 0.00 6.17 7.72 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 0.00 114 A 7.80 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.36 3.97 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 0.00 116 A 7.55 4.49 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 0.00 117 V 8.81 4.49 2.13 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 0.74 0.00 0.00 1.06 0.00 0.00 118 R 8.00 4.84 0.00 1.94 1.87 0.00 3.09 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 119 C 8.56 5.16 0.00 1.96 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 0.00 120 E 8.89 4.65 0.00 2.08 1.58 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 2.17 2.37 0.00 121 L 8.33 4.47 0.00 1.29 1.33 0.12 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 8.82 4.76 0.00 2.98 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 0.00 123 V 8.67 5.38 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 0.92 0.00 0.00 0.97 0.00 0.00 124 R 9.61 4.97 0.00 1.65 1.81 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.19 0.00 125 E 8.52 5.03 0.00 2.02 1.96 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 2.22 2.36 0.00 126 A 8.52 4.21 1.15 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 0.00 0.00 127 I 7.87 3.44 1.68 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 1.45 0.52 0.74 0.00 0.00 128 S 6.30 3.97 0.00 3.75 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 * Residues marked with a * may have inaccurate shift predictions.