NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8352 8.4244 117.7952 52.5177 39.3768 174.3472 3 L 4.5668 7.7281 120.3308 54.3211 44.4932 174.0613 4 P 4.4404 0.0000 0.0000 62.3601 32.8436 176.1265 5 T 4.2236 9.1300 112.6054 61.0156 70.9998 175.6809 6 A 4.0257 8.4625 122.5878 55.5985 18.1695 179.9343 7 Q 3.9729 7.9782 115.9113 58.8781 28.7204 178.6315 8 E 3.8688 7.8970 119.4738 59.1395 29.4953 179.2081 9 V 3.0388 7.9071 118.7098 66.1013 31.5011 178.0201 10 Q 4.0807 7.9978 117.6763 58.9880 28.5386 179.2865 11 G 3.5341 7.8189 106.6567 47.6122 0.0000 175.7639 12 L 3.9681 7.9979 121.7912 57.9512 41.1752 179.6624 13 M 4.1767 8.1932 118.3437 58.3310 31.7648 178.7444 14 A 4.0650 8.0975 120.9908 54.8489 18.4312 179.6980 15 R 3.8310 8.0838 117.7085 59.6291 30.1164 178.0074 16 Y 3.9404 8.0054 119.2440 60.8489 38.6876 178.2939 17 I 3.5052 7.5954 120.0744 64.1017 37.1116 178.2924 18 E 3.8975 7.7973 119.5701 59.3623 29.2358 179.4328 19 L 3.8625 7.9075 119.0301 57.7173 41.4614 179.5810 20 V 3.3936 7.1888 116.9205 66.0122 31.4259 177.1009 21 D 4.4455 7.8624 116.6687 57.4987 41.1891 178.2920 22 V 3.9156 7.6629 110.5462 61.6568 31.7316 177.0320 23 G 3.8267 8.0306 106.8558 46.7434 0.0000 175.1918 24 D 4.6019 7.6883 120.2118 52.7477 38.5660 175.8367 25 I 3.7039 7.7910 124.7631 63.8501 37.3650 177.4448 26 E 3.9185 8.1764 118.7370 59.4801 29.2862 178.9006 27 A 4.0062 7.8844 119.1140 55.1527 18.6764 179.5158 28 I 3.7163 7.6982 118.2189 64.6675 37.1127 178.7747 29 V 3.9029 7.6242 118.5680 66.1044 31.0951 177.3948 30 Q 4.2159 7.7705 117.5582 58.2592 29.2635 177.2632 31 M 4.2193 8.6156 119.8285 57.2966 32.0714 175.8448 32 Y 4.7133 7.0488 115.7160 56.5702 39.2901 175.3333 33 A 4.3134 8.4930 125.7020 51.9854 19.4579 178.8338 34 D 4.4660 8.7567 119.4640 55.5231 39.7934 177.0283 35 D 5.2378 7.7853 118.5820 52.6518 39.9453 176.5771 36 A 4.5097 7.8844 121.0162 53.3690 19.9574 177.4786 37 T 4.9843 8.6018 109.2874 59.8304 72.4409 173.1435 38 V 4.7814 8.5424 122.6017 61.2539 35.3535 174.1514 39 E 4.7104 9.0959 126.3275 54.6997 32.2445 174.9156 40 N 5.0330 8.2766 124.2728 51.4431 41.1048 172.1070 41 P 4.4439 0.0000 0.0000 61.7000 33.1101 175.7316 42 F 3.9408 8.4703 124.2251 59.6121 39.7657 174.6886 43 G 3.7633 7.4891 114.4273 45.5477 0.0000 174.0423 44 Q 4.2251 7.2977 117.5917 53.9683 29.8221 174.1008 45 P 4.3142 0.0000 0.0000 61.6782 32.0508 174.7566 46 P 4.6499 0.0000 0.0000 62.7483 32.1552 175.6405 47 I 4.4655 8.4249 118.2815 59.7018 39.5415 173.9977 48 H 5.1663 8.9657 126.0194 55.3088 32.3057 173.9548 49 G 4.1545 8.9189 111.2180 46.1326 0.0000 174.6628 50 R 3.8584 8.2717 119.6457 58.8709 29.7130 179.4017 51 E 3.9084 8.0081 117.9850 59.3671 30.1448 178.2321 52 Q 4.1624 8.0336 117.4667 59.2040 28.7466 178.8060 53 I 3.6247 7.9191 120.5281 64.5225 37.0364 178.4064 54 A 4.2257 8.4903 121.3883 54.9324 18.1159 179.5589 55 A 3.9471 7.9951 119.7920 55.0365 18.3949 179.3951 56 F 3.8364 7.9256 119.3730 61.9342 39.4211 177.1709 57 Y 4.1322 7.8864 115.5192 60.7067 37.7429 178.1217 58 R 3.9047 8.3771 119.6083 59.7076 29.9692 179.0922 59 Q 4.0953 8.1172 117.6272 58.4486 28.5636 178.9532 60 G 3.1132 7.9451 108.6986 48.2639 0.0000 174.4967 61 L 4.3621 7.5361 117.6335 54.5618 42.6852 177.7688 62 G 4.4876 6.8916 109.0952 44.6932 0.0000 174.1848 *65 K 4.0939 7.6010 110.7059 55.9518 33.9617 176.4871 66 V 4.5070 7.8427 118.2755 61.7590 32.8318 175.0586 67 R 5.0164 9.2110 126.3980 54.5626 33.5567 174.7091 68 A 5.3928 9.2015 122.8104 50.8602 22.5824 175.4641 69 C 4.8177 9.0688 115.0060 56.6090 33.4325 173.6136 70 L 4.6991 8.6950 121.7806 54.8389 42.0889 176.8783 71 T 4.5798 8.5871 112.1223 60.4397 69.1373 173.6918 72 G 3.9955 7.5538 109.8907 45.0109 0.0000 171.6421 73 P 4.3922 0.0000 0.0000 62.5642 31.8044 175.8305 74 V 4.0765 8.0932 119.7262 62.4279 32.5030 175.2759 75 R 4.5758 9.0621 127.4143 55.1762 31.6503 175.3141 76 A 5.1375 8.4598 124.7859 50.3586 22.1321 175.9939 77 S 4.5239 8.7064 116.9733 57.6682 65.4898 173.7892 78 H 4.9040 8.6383 116.7891 56.0611 28.9242 174.6834 79 N 4.9249 8.2343 117.6415 52.6298 37.5949 175.4373 80 G 3.9692 8.5598 104.7247 46.9772 0.0000 173.0514 81 C 5.5385 7.8428 116.1408 57.9414 31.9199 173.0619 82 G 4.6662 8.9774 106.9911 45.2645 0.0000 171.4333 83 A 5.4600 9.1858 121.7301 50.4697 23.0739 175.2659 84 M 5.2579 9.3079 118.2744 53.1587 35.4079 171.9689 85 P 5.4913 0.0000 0.0000 61.5717 34.1222 174.0377 86 F 5.5344 8.6773 116.8235 56.1501 42.1129 172.5530 87 R 4.9063 9.3033 118.6431 54.4775 33.8481 173.7000 88 V 4.9562 8.6804 124.8061 61.1772 34.3001 173.9097 89 E 5.1981 9.4780 127.9024 55.0694 31.7583 174.7053 90 M 4.6378 8.2455 122.1361 54.0760 34.9788 173.5805 91 V 4.5549 8.4392 117.2799 61.5116 34.0832 176.5672 92 W 4.5830 9.0868 135.0000 56.6997 29.1086 173.8181 93 N 3.7129 9.7102 113.6934 55.2242 36.4975 173.1578 94 G 4.2718 8.8850 119.1765 45.4690 0.0000 172.1311 95 Q 4.5947 7.4513 121.2225 52.8039 30.8781 172.4901 96 P 4.9119 0.0000 0.0000 62.6748 32.5903 174.8540 97 C 5.2060 8.5042 115.6419 56.6659 33.8340 172.1454 98 A 5.0712 9.1111 119.0461 50.3739 22.7251 174.9920 99 L 5.0100 8.6742 121.2472 53.3557 45.5180 174.8382 100 D 5.1406 8.6866 126.1335 52.8389 42.4007 176.1295 101 V 4.6704 8.2463 122.3819 61.0326 35.6819 174.0508 102 I 5.1187 8.4565 125.1154 59.6410 40.7185 174.1644 103 E 5.4046 9.2948 126.1812 54.6027 32.7770 175.0101 104 V 4.8629 8.8555 123.6616 61.4740 34.1544 174.1982 105 M 5.2145 9.1123 127.1003 53.4320 35.8069 174.3306 106 R 5.1060 8.4385 122.8302 54.6775 32.6809 174.7657 107 F 5.2410 9.3347 125.2029 56.1133 41.7897 175.0285 108 D 5.0902 8.6302 121.4973 51.6538 41.9144 176.7818 109 E 3.8910 8.8531 115.4604 59.3171 29.3852 177.2000 110 H 4.6360 8.2206 114.6842 55.2645 29.1104 175.1863 111 G 3.9447 8.3698 107.6669 46.4041 0.0000 173.7919 112 R 4.8109 8.5467 118.1075 53.5985 32.8959 175.5798 113 I 3.4853 7.9678 122.0877 61.6267 37.2741 176.6035 114 Q 4.1650 8.9195 130.2490 58.5251 30.4330 175.8132 115 T 5.2578 7.4885 113.7276 62.1621 73.4575 172.7995 116 M 5.2454 8.8064 123.4873 54.0947 36.3537 173.7019 117 Q 5.0163 9.0757 123.4273 54.1004 33.1062 173.7850 118 A 5.1139 8.9838 126.3571 50.5194 21.6404 174.7334 119 Y 4.8890 8.9797 121.9764 56.5624 39.6900 175.3133 120 W 4.8124 8.5370 120.6486 57.2746 30.6071 173.3769 121 S 4.3881 8.0070 113.0046 57.9789 64.8204 175.3357 122 E 4.0925 8.6971 118.5158 59.7931 29.2232 179.7530 123 V 3.7730 7.3706 109.8360 63.6021 31.6417 176.4933 124 N 4.7521 8.3110 116.4604 52.8316 38.8435 173.4858 125 L 4.9593 7.6346 121.9889 53.5011 43.5487 175.8362 126 S 4.7308 9.0566 120.6274 56.5181 66.3897 174.2339 127 V 4.0369 8.4999 122.0669 63.0746 31.0256 175.4273 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 2 N 8.42 4.84 0.00 2.76 2.75 0.00 0.00 6.39 6.90 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 3 L 7.73 4.57 0.00 1.59 1.62 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.44 0.00 1.85 1.80 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 5 T 9.13 4.22 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 6 A 8.46 4.03 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 7 Q 7.98 3.97 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 8 E 7.90 3.87 0.00 2.19 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 2.25 2.25 0.00 9 V 7.91 3.04 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 1.05 0.00 0.00 0.81 0.00 0.00 10 Q 8.00 4.08 0.00 2.30 2.12 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 2.49 2.53 0.00 11 G 7.82 3.53 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 0.00 12 L 8.00 3.97 0.00 1.36 1.64 0.21 1.05 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 13 M 8.19 4.18 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.74 0.00 14 A 8.10 4.07 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 15 R 8.08 3.83 0.00 2.10 2.03 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 16 Y 8.01 3.94 0.00 3.13 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 3.51 1.96 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.60 0.86 0.00 0.00 18 E 7.80 3.90 0.00 2.09 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 2.31 2.43 0.00 19 L 7.91 3.86 0.00 1.57 1.55 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.19 3.39 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 0.80 0.00 0.00 0.32 0.00 0.00 21 D 7.86 4.45 0.00 2.88 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 22 V 7.66 3.92 2.05 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 0.80 0.00 0.00 0.94 0.00 0.00 23 G 8.03 3.83 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 0.00 0.00 0.00 24 D 7.69 4.60 0.00 2.68 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 25 I 7.79 3.70 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.93 0.99 0.00 0.00 26 E 8.18 3.92 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 2.40 2.37 0.00 27 A 7.88 4.01 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 28 I 7.70 3.72 1.55 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.40 0.31 0.00 0.00 29 V 7.62 3.90 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 1.05 0.00 0.00 1.05 0.00 0.00 30 Q 7.77 4.22 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 31 M 8.62 4.22 0.00 1.94 2.28 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.60 0.00 32 Y 7.05 4.71 0.00 3.13 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 33 A 8.49 4.31 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 34 D 8.76 4.47 0.00 2.86 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 35 D 7.79 5.24 0.00 2.78 2.80 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 36 A 7.88 4.51 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.60 4.98 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 38 V 8.54 4.78 1.92 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 0.75 0.00 0.00 0.87 0.00 0.00 39 E 9.10 4.71 0.00 1.90 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 0.00 2.06 2.14 0.00 40 N 8.28 5.03 0.00 2.53 2.30 0.00 0.00 7.27 7.69 0.00 0.00 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 P 0.00 4.44 0.00 1.44 0.49 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.17 0.00 42 F 8.47 3.94 0.00 2.50 2.61 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 43 G 7.49 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 0.00 0.00 0.00 0.00 44 Q 7.30 4.23 0.00 2.13 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 45 P 0.00 4.31 0.00 1.97 1.90 0.00 3.59 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 46 P 0.00 4.65 0.00 1.90 1.94 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 47 I 8.42 4.47 1.83 0.00 0.00 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 0.99 0.75 0.82 0.00 0.00 48 H 8.97 5.17 0.00 3.13 3.16 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.92 4.15 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 0.00 50 R 8.27 3.86 0.00 1.93 2.03 0.00 3.17 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 51 E 8.01 3.91 0.00 1.97 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 2.31 2.41 0.00 52 Q 8.03 4.16 0.00 2.44 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 53 I 7.92 3.62 1.71 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.68 0.55 0.00 0.00 54 A 8.49 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.00 3.95 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 56 F 7.93 3.84 0.00 2.94 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.89 4.13 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 58 R 8.38 3.90 0.00 2.20 1.98 0.00 3.20 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 59 Q 8.12 4.10 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.58 0.00 60 G 7.95 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 0.00 0.00 0.00 61 L 7.54 4.36 0.00 1.77 1.72 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 62 G 6.89 4.49 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 0.00 0.00 0.00 *65 K 7.60 4.09 0.00 1.79 1.90 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.39 7.81 66 V 7.84 4.51 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 0.81 0.00 0.00 0.91 0.00 0.00 67 R 9.21 5.02 0.00 1.70 1.79 0.00 3.31 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 68 A 9.20 5.39 1.22 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 69 C 9.07 4.82 0.00 3.02 3.02 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 70 L 8.70 4.70 0.00 1.60 1.71 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.59 4.58 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 1.32 0.00 0.00 72 G 7.55 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 73 P 0.00 4.39 0.00 2.20 2.08 0.00 3.78 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 2.00 1.96 0.00 74 V 8.09 4.08 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 0.87 0.00 0.00 0.96 0.00 0.00 75 R 9.06 4.58 0.00 1.97 1.82 0.00 3.26 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 1.60 1.62 0.00 76 A 8.46 5.14 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.71 4.52 0.00 3.95 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 78 H 8.64 4.90 0.00 3.16 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.23 4.92 0.00 2.81 2.87 0.00 0.00 6.95 6.54 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 80 G 8.56 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 0.00 0.00 0.00 81 C 7.84 5.54 0.00 2.89 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 G 8.98 4.67 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 83 A 9.19 5.46 1.22 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 84 M 9.31 5.26 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.63 0.00 85 P 0.00 5.49 0.00 2.17 2.24 0.00 3.81 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 86 F 8.68 5.53 0.00 3.32 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 87 R 9.30 4.91 0.00 2.01 1.78 0.00 3.06 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 88 V 8.68 4.96 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 0.97 0.00 0.00 1.05 0.00 0.00 89 E 9.48 5.20 0.00 1.90 1.83 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 2.22 2.23 0.00 90 M 8.25 4.64 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 91 V 8.44 4.55 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 0.93 0.00 0.00 0.96 0.00 0.00 92 W 9.09 4.58 0.00 3.22 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 93 N 9.71 3.71 0.00 2.73 2.60 0.00 0.00 7.31 7.98 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 94 G 8.88 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 0.00 0.00 0.00 0.00 95 Q 7.45 4.59 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 96 P 0.00 4.91 0.00 2.24 2.06 0.00 3.78 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 2.01 1.96 0.00 97 C 8.50 5.21 0.00 3.18 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 98 A 9.11 5.07 1.19 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 0.00 0.00 99 L 8.67 5.01 0.00 1.50 1.21 -0.24 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.69 5.14 0.00 2.57 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.25 4.67 0.67 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 1.01 0.00 0.00 0.37 0.00 0.00 102 I 8.46 5.12 1.96 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 1.27 0.61 0.98 0.00 0.00 103 E 9.29 5.40 0.00 2.29 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 104 V 8.86 4.86 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 1.02 0.00 0.00 1.05 0.00 0.00 105 M 9.11 5.21 0.00 1.38 1.83 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.15 0.00 106 R 8.44 5.11 0.00 1.88 1.70 0.00 3.08 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 107 F 9.33 5.24 0.00 2.84 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.63 5.09 0.00 2.75 2.85 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 0.00 109 E 8.85 3.89 0.00 1.98 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 0.00 1.72 2.05 0.00 110 H 8.22 4.64 0.00 3.31 3.42 0.00 5.96 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.37 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 0.00 112 R 8.55 4.81 0.00 2.19 1.99 0.00 3.36 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 113 I 7.97 3.49 1.08 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.36 0.52 0.00 0.00 114 Q 8.92 4.16 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 115 T 7.49 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 1.23 0.00 0.00 116 M 8.81 5.25 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 117 Q 9.08 5.02 0.00 2.03 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 118 A 8.98 5.11 1.49 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 0.00 0.00 119 Y 8.98 4.89 0.00 3.12 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 0.00 120 W 8.54 4.81 0.00 3.38 3.07 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 0.00 121 S 8.01 4.39 0.00 3.91 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 0.00 122 E 8.70 4.09 0.00 2.12 2.05 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 2.40 2.40 0.00 123 V 7.37 3.77 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 0.68 0.00 0.00 0.97 0.00 0.00 124 N 8.31 4.75 0.00 3.14 3.01 0.00 0.00 6.37 6.03 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 0.00 125 L 7.63 4.96 0.00 1.85 1.56 0.71 0.83 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 0.00 126 S 9.06 4.73 0.00 3.89 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 0.00 127 V 8.50 4.04 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 0.85 0.00 0.00 1.12 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.