NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3003 8.4293 121.4681 55.0728 30.1089 175.4090 4 P 4.0861 0.0000 0.0000 62.1292 31.9974 170.7867 5 V 4.1171 8.5091 114.4253 59.4320 35.3529 176.3284 6 F 4.8520 8.4043 122.8807 55.0332 39.9546 174.8505 7 P 4.6551 0.0000 0.0000 64.8500 31.8890 176.7345 8 T 4.3634 7.5175 108.7236 58.4359 73.0425 172.6142 9 P 3.5798 0.0000 0.0000 65.4832 31.0907 178.8657 10 E 3.6683 7.6230 116.7406 59.1819 29.5099 179.0646 11 A 3.9575 8.0655 120.7148 54.9348 18.3328 179.6017 12 A 2.9342 7.5940 118.9521 54.8326 18.3962 179.4920 13 E 3.8422 7.8921 118.0044 59.4421 29.7155 178.6292 14 D 4.4492 8.2637 118.8936 57.5469 40.9334 178.8387 15 A 4.0271 7.7732 120.6985 54.8391 18.2398 179.3441 16 F 3.9035 8.1859 119.4794 61.8767 39.3740 177.1315 17 Y 4.1291 8.2006 115.9210 60.6791 37.5779 178.1286 18 A 3.9916 8.2232 121.8615 54.9816 18.4935 179.5083 19 A 3.8304 8.0400 119.2822 55.1405 18.5078 179.3587 20 F 3.9881 8.0942 119.3055 61.7555 39.2077 177.0764 21 E 3.9475 8.4150 117.1952 59.0836 29.5711 178.1168 22 A 3.9020 8.0164 119.0299 52.1473 19.4263 177.0707 23 R 2.0000 6.7271 115.2404 56.6800 27.9722 177.8119 24 S 4.4988 7.2178 111.4885 56.1528 62.9310 172.9536 25 L 4.3911 8.7695 130.7466 58.3320 42.3136 178.0734 26 D 4.5689 8.3059 117.0854 57.6594 39.5989 177.7671 27 D 4.6040 7.7283 121.0884 54.4320 38.0044 176.4391 *30 A 4.5533 7.9009 124.5749 51.6744 21.0055 178.4491 31 V 3.9848 7.4735 113.6754 64.6015 32.0160 176.2593 32 W 4.4957 8.2755 118.3167 55.3375 29.9042 175.7655 33 A 4.1843 8.7564 123.8736 53.2884 18.5113 178.1698 34 R 4.5317 8.3801 120.5405 55.0605 30.0844 174.9523 35 D 4.6333 7.4375 115.4171 52.8483 42.6783 174.8223 36 D 4.5988 8.4491 116.5425 55.2473 41.3630 176.9943 37 H 4.8880 8.3388 119.0317 54.5486 27.7728 175.0288 38 V 5.1331 7.1563 112.3936 60.4227 37.0102 175.5192 39 A 5.6097 9.0736 123.0595 51.6550 23.3318 174.9529 40 C 5.2415 8.4541 118.8318 58.1612 35.4683 172.5971 41 I 4.5842 9.0751 127.3635 59.8707 39.2773 175.0722 42 H 4.9045 8.4771 124.2632 53.8514 30.7873 173.3581 43 P 4.4739 0.0000 0.0000 63.6989 31.3736 176.6561 44 L 3.6109 8.7321 120.7475 55.2061 39.1893 173.9764 45 A 4.5756 7.8465 121.2748 50.1586 20.9182 177.2856 46 A 4.2948 8.0712 122.5912 50.8831 19.3980 175.8395 47 P 4.6348 0.0000 0.0000 62.7545 32.8486 175.5866 48 L 4.5866 8.7051 121.8352 53.2869 43.6663 175.0601 49 N 5.2017 8.9458 121.5607 52.5657 40.7298 175.9793 50 G 4.0728 9.0382 108.4209 45.8964 0.0000 174.4601 51 R 3.7745 8.9426 118.9418 59.0921 30.0416 179.4627 52 A 3.9031 7.9119 119.6753 55.1063 18.3541 179.4417 53 A 3.8389 7.7726 118.7655 55.1212 18.5829 179.7575 54 V 3.1798 7.6061 116.5406 66.0459 31.5019 178.0990 55 A 3.9563 8.0186 120.2892 55.1566 18.1498 179.5056 56 A 4.0072 8.1444 119.4167 54.9213 18.1411 180.1929 57 G 3.2491 7.8758 103.8705 47.8211 0.0000 175.8041 58 W 3.7448 7.5504 120.5211 58.8494 29.1122 178.3948 59 R 4.1058 8.0159 118.8468 59.3445 29.2509 178.8928 60 S 4.3233 7.8631 109.2825 59.3318 61.7753 175.3661 *62 F 5.1274 8.0486 120.5595 57.2714 40.5651 176.8476 63 G 3.7302 8.6364 108.4884 47.4794 0.0000 174.0634 64 A 4.5099 7.5592 120.8202 52.7561 20.3774 178.0134 65 A 4.0364 8.2302 118.1886 53.1174 18.7755 178.7643 66 G 3.9451 8.1926 106.7610 45.3252 0.0000 173.5277 67 R 4.2862 8.3128 116.5255 55.7604 30.3247 171.3378 68 F 5.1847 7.5218 113.5066 56.0744 40.8363 173.4632 69 R 4.8545 9.3286 119.3008 54.8895 32.5982 175.2220 70 L 5.3947 8.8002 122.7296 53.6142 45.2821 175.7216 71 Q 4.7307 9.1078 123.6068 54.1518 32.9569 174.4090 72 V 4.8690 8.3111 121.2765 60.9742 35.1331 174.3795 73 K 4.6744 9.1438 127.5043 54.3088 35.1787 175.0792 74 A 4.4647 8.8267 129.5904 52.3476 18.4523 177.1780 75 V 4.3690 8.7461 114.5447 62.1053 34.5702 175.5291 76 H 4.8973 7.8141 117.5762 55.1700 32.9915 172.2617 77 E 5.1281 8.2997 120.5227 54.7267 33.0415 174.9185 78 I 4.4312 8.7952 122.0394 59.9049 40.4837 174.3111 79 R 4.8309 8.5864 126.4070 54.5416 31.6577 175.9876 80 Q 4.6580 8.6180 121.2317 53.6084 33.1415 175.2227 81 A 4.2830 8.8952 121.4913 55.1421 18.4098 178.2998 82 D 4.7644 8.1928 112.2870 54.2736 43.1487 175.1996 83 H 5.7019 8.1084 116.0587 54.1472 33.5000 172.3546 84 V 4.9203 9.3171 121.8796 61.1809 34.9401 173.9986 85 I 5.0458 8.8187 128.1652 59.6010 40.0505 174.5872 86 R 5.0175 9.2781 126.2264 54.4049 33.3990 174.6078 87 I 5.0062 9.0606 124.8847 59.7597 39.6119 175.2504 88 V 4.9085 8.7871 119.1297 59.7650 36.5416 173.9948 89 D 4.9661 9.1546 123.3730 53.2185 42.8152 175.2897 90 E 4.7005 8.8719 123.3734 54.5510 32.2509 174.9798 91 F 4.9671 9.4531 124.5819 55.8450 41.0167 174.5859 92 L 5.1564 8.4413 124.4284 53.8019 43.8376 175.8703 93 T 4.8511 8.9089 120.0994 61.9474 71.1071 173.1281 94 I 4.5723 8.6012 127.4108 60.6049 39.1243 176.2611 95 G 3.7466 9.0930 117.9817 47.8837 0.0000 174.2390 96 D 4.7375 8.6891 123.3635 53.4427 39.7173 173.7107 97 E 4.1889 7.7361 120.0509 57.2784 29.3003 176.4856 98 T 3.8133 7.8493 113.7910 63.8979 69.3333 175.1049 99 A 4.3086 7.6469 126.4833 49.9284 20.0113 175.2791 100 P 4.7134 0.0000 0.0000 62.2885 32.6366 176.2045 101 R 4.3930 8.6525 120.7579 55.1249 30.9687 174.8441 102 P 4.5017 0.0000 0.0000 62.9416 31.7165 176.1941 103 A 3.9616 8.6205 123.7336 52.5265 19.1880 176.6238 104 I 4.3520 8.1924 121.9256 59.5743 39.8434 174.5528 105 L 4.9993 9.0496 128.5887 53.6899 44.1544 174.9865 106 A 5.2078 9.0439 126.8472 50.5830 22.8749 174.7880 107 T 4.7823 9.1453 119.5823 62.2761 70.4261 173.5558 108 N 5.2474 9.2466 124.7139 51.2072 41.4605 173.8812 109 V 4.7042 7.9686 122.6616 61.2941 34.4808 173.5938 110 Y 4.9689 9.1772 126.0150 56.3095 40.6671 174.6114 111 R 4.9129 9.1460 124.1026 54.4821 32.8825 174.7257 112 R 3.0806 8.0529 126.9098 55.4487 30.4264 175.4948 113 E 4.5534 8.8043 125.9917 54.0051 32.4939 176.4577 114 A 3.7770 8.5550 121.7432 54.8459 18.3040 178.0491 115 D 4.8498 7.8643 111.5075 52.3354 40.9837 176.1536 116 G 4.0473 6.4224 106.4412 46.1065 0.0000 171.8529 117 W 5.3966 9.0637 119.3301 55.3511 33.0044 175.7661 118 R 4.9916 8.2395 122.5195 55.2960 34.1967 179.1097 *120 V 4.3871 8.6924 119.9040 62.0870 34.3071 174.0169 121 L 5.7606 7.1282 119.7945 54.3625 46.2217 173.8076 122 H 5.3027 9.0534 123.6852 54.8175 33.6238 171.2102 123 H 5.2702 9.2731 124.8942 54.5873 32.1829 171.4577 124 A 5.4331 8.9868 128.7099 50.3489 21.6173 175.3920 125 S 4.6717 9.2238 115.3752 56.2055 66.9358 171.9941 126 P 4.7670 0.0000 0.0000 62.3638 32.3687 175.5824 127 L 4.6056 8.2699 123.7759 53.2883 43.7024 177.5686 128 Q 4.2043 8.8281 120.7678 55.5139 27.9152 173.2940 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 3 E 8.43 4.30 0.00 1.93 1.95 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 2.20 2.37 0.00 4 P 0.00 4.09 0.00 1.73 1.90 0.00 3.77 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 1.98 2.10 0.00 5 V 8.51 4.12 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 0.76 0.00 0.00 0.84 0.00 0.00 6 F 8.40 4.85 0.00 3.37 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 7 P 0.00 4.66 0.00 2.24 2.25 0.00 3.87 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 8 T 7.52 4.36 4.11 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 0.00 0.00 1.17 0.00 0.00 9 P 0.00 3.58 0.00 1.50 1.35 0.00 2.88 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.44 0.00 10 E 7.62 3.67 0.00 1.88 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 2.27 2.28 0.00 11 A 8.07 3.96 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 12 A 7.59 2.93 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 13 E 7.89 3.84 0.00 1.82 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 2.56 2.57 0.00 14 D 8.26 4.45 0.00 2.89 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 15 A 7.77 4.03 1.16 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 0.00 0.00 16 F 8.19 3.90 0.00 2.89 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 17 Y 8.20 4.13 0.00 3.16 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 18 A 8.22 3.99 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 19 A 8.04 3.83 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 20 F 8.09 3.99 0.00 2.83 3.11 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 0.00 0.00 0.00 21 E 8.41 3.95 0.00 2.16 1.95 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 2.15 2.28 0.00 22 A 8.02 3.90 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 23 R 6.73 2.00 0.00 1.58 1.44 0.00 3.38 0.00 0.00 3.44 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.16 0.00 24 S 7.22 4.50 0.00 3.74 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 25 L 8.77 4.39 0.00 1.87 1.81 1.00 1.33 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 26 D 8.31 4.57 0.00 2.75 2.76 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 0.00 27 D 7.73 4.60 0.00 2.69 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 *30 A 7.90 4.55 1.55 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 31 V 7.47 3.98 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 0.80 0.00 0.00 0.95 0.00 0.00 32 W 8.28 4.50 0.00 3.37 3.25 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 0.00 33 A 8.76 4.18 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 34 R 8.38 4.53 0.00 1.85 1.99 0.00 3.29 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 35 D 7.44 4.63 0.00 2.77 2.67 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 36 D 8.45 4.60 0.00 2.63 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 37 H 8.34 4.89 0.00 3.33 3.31 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.16 5.13 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 0.94 0.00 0.00 0.93 0.00 0.00 39 A 9.07 5.61 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 40 C 8.45 5.24 0.00 2.93 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.08 4.58 1.67 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.82 0.00 0.00 42 H 8.48 4.90 0.00 2.96 3.08 0.00 5.64 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.47 0.00 2.05 2.04 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 44 L 8.73 3.61 0.00 1.80 1.79 0.92 0.81 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 45 A 7.85 4.58 1.23 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 0.00 0.00 46 A 8.07 4.29 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.63 0.00 2.22 1.99 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 48 L 8.71 4.59 0.00 1.52 1.46 0.75 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.95 5.20 0.00 2.54 2.69 0.00 0.00 7.34 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 50 G 9.04 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.94 3.77 0.00 1.89 1.96 0.00 3.31 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 52 A 7.91 3.90 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 A 7.77 3.84 1.28 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 0.00 0.00 54 V 7.61 3.18 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.63 0.00 0.00 55 A 8.02 3.96 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 56 A 8.14 4.01 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 57 G 7.88 3.25 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 0.00 0.00 0.00 0.00 58 W 7.55 3.74 0.00 2.95 2.36 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 59 R 8.02 4.11 0.00 1.98 2.05 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 60 S 7.86 4.32 0.00 3.94 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 *62 F 8.05 5.13 0.00 3.19 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 63 G 8.64 3.73 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 0.00 64 A 7.56 4.51 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 65 A 8.23 4.04 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.19 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 0.00 0.00 0.00 67 R 8.31 4.29 0.00 1.84 1.72 0.00 3.30 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.00 68 F 7.52 5.18 0.00 3.16 3.08 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 69 R 9.33 4.85 0.00 1.78 1.92 0.00 3.20 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 70 L 8.80 5.39 0.00 1.85 1.56 0.77 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.11 4.73 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 72 V 8.31 4.87 1.74 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 0.50 0.00 0.00 -0.06 0.00 0.00 73 K 9.14 4.67 0.00 1.95 1.78 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.38 7.81 74 A 8.83 4.46 1.23 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 0.00 0.00 75 V 8.75 4.37 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 0.85 0.00 0.00 0.99 0.00 0.00 76 H 7.81 4.90 0.00 3.19 3.09 0.00 5.81 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.30 5.13 0.00 1.86 1.77 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 0.00 2.07 2.23 0.00 78 I 8.80 4.43 1.89 0.00 0.00 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 1.24 0.73 0.93 0.00 0.00 79 R 8.59 4.83 0.00 1.66 1.82 0.00 3.22 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 80 Q 8.62 4.66 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 81 A 8.90 4.28 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 82 D 8.19 4.76 0.00 2.71 2.55 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 83 H 8.11 5.70 0.00 3.16 3.24 0.00 5.75 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 84 V 9.32 4.92 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 0.89 0.00 0.00 0.79 0.00 0.00 85 I 8.82 5.05 1.90 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 1.26 0.67 0.97 0.00 0.00 86 R 9.28 5.02 0.00 1.94 1.85 0.00 3.05 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 87 I 9.06 5.01 1.92 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 1.25 0.68 0.92 0.00 0.00 88 V 8.79 4.91 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 0.89 0.00 0.00 1.05 0.00 0.00 89 D 9.15 4.97 0.00 2.55 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 0.00 0.00 0.00 90 E 8.87 4.70 0.00 1.75 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 0.00 2.14 2.26 0.00 91 F 9.45 4.97 0.00 2.95 2.97 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 92 L 8.44 5.16 0.00 1.64 1.58 0.89 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.91 4.85 4.32 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 1.26 0.00 0.00 94 I 8.60 4.57 2.14 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.46 0.99 0.00 0.00 95 G 9.09 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.69 4.74 0.00 2.71 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 97 E 7.74 4.19 0.00 2.03 1.94 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 2.37 2.40 0.00 98 T 7.85 3.81 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 1.22 0.00 0.00 99 A 7.65 4.31 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 0.00 100 P 0.00 4.71 0.00 2.27 2.14 0.00 3.78 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 2.06 1.96 0.00 101 R 8.65 4.39 0.00 1.83 1.95 0.00 3.36 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 102 P 0.00 4.50 0.00 2.07 2.08 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 103 A 8.62 3.96 0.73 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 0.00 104 I 8.19 4.35 1.86 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 1.08 0.92 1.04 0.00 0.00 105 L 9.05 5.00 0.00 1.66 1.60 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 106 A 9.04 5.21 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 0.00 107 T 9.15 4.78 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 1.20 0.00 0.00 108 N 9.25 5.25 0.00 2.65 2.14 0.00 0.00 5.96 7.31 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 0.00 109 V 7.97 4.70 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 1.03 0.00 0.00 0.89 0.00 0.00 110 Y 9.18 4.97 0.00 2.98 3.08 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 0.00 111 R 9.15 4.91 0.00 1.85 1.75 0.00 3.07 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.26 0.00 112 R 8.05 3.08 0.00 0.67 1.10 0.00 3.08 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 113 E 8.80 4.55 0.00 2.02 1.78 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 2.16 2.14 0.00 114 A 8.55 3.78 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 0.00 115 D 7.86 4.85 0.00 2.74 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 0.00 116 G 6.42 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 0.00 117 W 9.06 5.40 0.00 3.24 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 0.00 118 R 8.24 4.99 0.00 1.79 1.46 0.00 3.77 0.00 0.00 3.63 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 *120 V 8.69 4.39 2.28 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 0.74 0.00 0.00 1.01 0.00 0.00 121 L 7.13 5.76 0.00 1.80 1.39 0.97 0.90 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 0.00 122 H 9.05 5.30 0.00 3.30 3.54 0.00 5.86 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 H 9.27 5.27 0.00 3.20 3.06 0.00 5.62 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 0.00 124 A 8.99 5.43 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 0.00 125 S 9.22 4.67 0.00 3.79 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 0.00 126 P 0.00 4.77 0.00 1.96 2.01 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 127 L 8.27 4.61 0.00 1.57 1.55 0.90 0.85 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 0.00 128 Q 8.83 4.20 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.65 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.