NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5038 8.1633 118.3343 55.2917 33.6729 173.0142 2 L 4.9321 8.4259 118.4779 52.9436 43.3465 175.1009 3 R 4.7074 8.9629 123.4537 54.6888 33.7100 174.6790 4 T 4.9668 8.3666 116.3475 61.2375 68.6685 173.6857 5 M 5.0460 9.4943 127.2943 53.2243 37.3208 173.7136 6 L 3.5540 8.7071 123.1392 56.1421 42.1928 176.1507 7 K 4.3083 8.6089 128.6616 58.1874 33.8691 176.1715 8 S 5.0456 8.1115 112.5823 57.1924 67.0380 173.4547 9 K 5.2124 8.3964 120.6112 56.6248 36.2441 174.4532 10 I 4.5269 8.3729 129.1130 60.1023 38.1364 174.2029 11 H 4.6107 8.8445 128.5959 55.8525 30.1653 175.0977 12 R 3.8195 8.6529 125.7617 57.2597 27.0587 176.5632 13 A 4.4189 7.5258 117.4994 52.3090 20.0022 177.4982 14 T 4.8334 8.4229 116.9868 61.7565 70.3986 175.0380 15 V 3.6117 8.6803 126.7289 63.5678 31.7942 176.2876 16 T 4.0114 8.6240 125.6177 66.3391 67.8814 175.1118 17 C 5.0702 7.3342 114.5078 58.2380 33.7312 171.2043 18 A 4.6752 8.0757 115.5304 51.9545 21.4209 175.9703 19 D 4.5341 8.3679 121.6222 52.5993 44.3152 175.6092 20 L 4.0250 8.9719 128.6597 58.3904 43.1265 176.9176 21 H 4.7755 8.4428 113.7352 55.4696 30.0936 169.9787 22 Y 3.2579 8.4172 130.0089 56.9860 39.8516 169.1578 23 V 4.4099 7.2100 125.6010 61.5577 33.7238 174.5357 24 G 4.3835 8.8235 111.7128 44.9428 0.0000 176.4117 25 S 3.1629 7.8273 117.9595 58.6631 63.8165 173.9644 26 V 4.8296 5.4500 118.8373 61.0540 34.1778 173.1107 27 T 4.9407 8.8579 119.4405 60.5772 70.1739 173.7907 28 I 4.9063 8.8339 127.8295 58.7966 40.6057 174.7330 29 D 4.6198 8.7491 124.1215 54.4532 41.7114 176.5992 30 A 3.9662 8.6691 128.9940 55.8615 18.4017 179.0062 31 D 4.3690 8.3225 116.7364 57.8717 40.8996 179.6053 32 L 4.0221 8.0792 119.1795 58.1166 41.5574 179.5063 33 M 4.0728 8.0344 118.6300 58.2491 31.8277 178.6033 34 D 4.2723 8.0130 118.4727 56.9298 41.0527 178.3429 35 A 3.8639 8.2390 121.4685 55.1120 18.3889 178.1268 36 A 4.2488 8.4743 115.5461 51.2407 19.0283 176.7336 37 D 4.3225 7.7670 113.8455 54.9029 39.2873 172.0049 38 L 4.9854 9.2877 121.1660 52.3699 45.9994 175.9778 39 L 4.6382 8.7350 122.4269 52.3799 43.5500 176.0983 40 E 3.8553 8.7272 123.2893 58.6016 29.5105 175.9547 41 G 3.8410 10.4212 116.5738 45.6798 0.0000 170.6560 42 E 4.7311 8.1197 120.9256 54.8537 33.2963 174.4203 43 Q 4.5589 9.2093 128.6088 57.0146 29.6397 175.6826 44 V 4.7556 10.6223 125.4023 61.4859 35.4073 174.0577 45 T 5.2027 9.2590 123.3918 61.9814 71.5554 173.4165 46 I 5.1439 8.4593 125.1490 59.6548 40.9977 175.0180 47 V 4.8039 8.5451 118.7445 59.7179 35.6105 174.1696 48 D 4.7752 8.6443 125.9249 53.0703 41.1969 176.5893 49 I 3.6947 8.7249 129.0181 64.7863 37.0891 177.9525 50 D 4.5429 8.4096 120.7212 56.7405 40.8741 176.5891 51 N 4.9777 8.4951 114.7574 52.1886 37.9434 174.1024 52 G 4.0318 8.6005 104.6310 46.9642 0.0000 174.0781 53 A 4.3723 7.6420 120.1682 51.7721 20.1238 178.1577 54 R 5.3703 8.1060 117.5412 55.4834 33.7518 174.7959 55 L 4.9563 8.6523 123.0296 52.7704 46.4983 175.6661 56 V 4.7861 8.1091 119.3140 61.8254 34.0479 174.2186 57 T 4.7163 8.9846 122.0231 61.5563 71.8621 171.6803 58 Y 5.5491 8.9525 121.0372 55.6016 40.6186 173.8491 59 A 5.0169 8.6820 120.2653 50.1351 22.3788 175.1223 60 I 4.7611 8.9945 122.9953 59.4002 40.3166 175.1665 61 T 4.1837 8.5590 124.2555 64.1199 68.7791 174.5603 62 G 4.0693 9.6773 116.4190 44.5056 0.0000 171.8126 63 E 4.3489 8.5109 119.8752 55.8011 31.0782 176.8471 64 R 4.4070 8.6159 123.7708 57.1476 30.8785 179.0252 65 G 4.1471 8.9774 108.9856 46.7907 0.0000 175.2581 66 S 4.1215 8.3433 113.7474 59.1112 62.8961 174.5577 67 G 4.0347 8.7138 109.3531 46.2974 0.0000 173.8002 68 V 3.6990 7.5603 118.3615 63.1536 33.1315 175.4421 69 I 4.5498 8.3052 125.7031 60.5769 40.2208 173.0695 70 G 4.3175 8.9824 113.1771 44.3090 0.0000 170.1511 71 I 4.8065 7.8595 123.8767 59.5505 39.0920 174.2009 72 N 5.0915 10.0142 126.2454 52.2949 39.6093 171.9841 73 G 4.1365 10.0400 120.8019 45.3542 0.0000 170.9508 74 A 3.7809 8.3410 128.9223 53.0885 17.0117 179.0174 75 A 3.9970 7.6208 116.1076 53.6410 18.8469 179.3020 76 A 4.0634 8.0058 118.0137 54.5870 18.7569 177.2370 77 H 4.6866 8.6374 113.2597 55.7832 30.6098 173.3880 78 L 3.7590 8.3066 120.3873 55.7993 40.2113 174.4683 79 V 4.3983 7.2701 116.6598 61.4332 33.2396 174.7753 80 H 5.0843 8.5989 122.1613 52.9997 32.7347 171.2406 81 P 4.4142 0.0000 0.0000 63.8898 31.5287 177.4104 82 G 3.9267 8.6921 107.9626 46.0590 0.0000 173.2645 83 D 4.9552 7.5992 120.5869 53.0304 42.9047 175.6848 84 L 4.7308 9.9816 124.8578 54.3345 42.5110 176.4217 85 V 4.9365 8.6412 117.0936 59.5673 36.1223 174.5073 86 I 4.9379 8.6738 120.8739 59.8554 41.2916 174.7888 87 L 5.3011 8.4854 125.6418 53.2029 44.1608 175.6443 88 I 5.1144 9.0504 123.3894 59.4784 41.9041 174.2172 89 A 4.7927 8.7879 127.1942 50.7442 21.6995 174.8878 90 Y 4.8528 9.1111 123.8606 58.8232 39.7583 174.2793 91 A 5.1541 8.2438 129.7080 53.0505 21.6645 176.6945 92 T 4.6515 8.5087 113.5046 62.1066 70.1231 173.8649 93 M 4.8878 9.3267 122.6966 53.6906 37.4662 173.9792 94 D 4.7938 8.6304 120.2934 54.0534 42.0102 176.7185 95 D 4.3627 8.7099 125.8239 57.3906 41.4448 178.6242 96 A 4.1202 7.8057 120.3044 55.2573 16.9472 179.5043 97 R 3.7579 7.9941 115.3577 59.2248 29.9389 178.6754 98 A 4.0570 7.7252 119.4468 56.0696 18.3824 179.2905 99 R 4.1100 7.6127 114.8233 57.9122 30.2080 177.0379 100 T 4.4032 7.1867 114.7366 60.8769 69.2552 173.8855 101 Y 4.7974 8.1754 124.2038 56.9246 41.6261 173.3931 102 Q 4.2984 8.8838 126.8527 53.5309 28.9210 173.4792 103 P 3.8813 0.0000 0.0000 62.2123 32.3787 177.6124 104 R 4.0304 8.6181 123.8156 56.4822 29.4759 174.5103 105 I 4.5069 7.7556 123.8673 59.5258 39.1276 175.3061 106 V 3.9964 8.4398 127.3012 60.9098 33.2215 174.7924 107 F 5.2231 8.0037 126.9430 57.4341 39.8091 175.2549 108 V 4.6538 8.1968 119.7400 59.8525 34.8264 174.5774 109 D 4.4963 8.6924 119.9556 53.5181 41.8006 176.9113 110 A 3.8955 8.3427 125.9700 54.2496 18.3574 177.7740 111 Y 4.8505 8.0808 111.9934 56.9355 38.8503 173.6380 112 N 4.2666 9.3625 123.0115 53.3929 35.4010 173.1192 113 K 4.4399 8.1828 121.0912 57.4897 37.7754 175.4976 *114 P 4.2215 0.0000 0.0000 62.2934 31.3818 178.3721 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 8.16 4.50 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 2 L 8.43 4.93 0.00 1.61 1.63 0.92 0.58 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 3 R 8.96 4.71 0.00 1.79 1.84 0.00 3.13 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 4 T 8.37 4.97 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 1.20 0.00 0.00 5 M 9.49 5.05 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 6 L 8.71 3.55 0.00 1.38 1.51 0.65 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.61 4.31 0.00 2.00 2.10 0.00 1.82 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.56 7.81 8 S 8.11 5.05 0.00 3.90 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 9 K 8.40 5.21 0.00 1.74 1.53 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.33 7.81 10 I 8.37 4.53 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 1.20 0.79 0.92 0.00 0.00 11 H 8.84 4.61 0.00 3.22 3.56 0.00 6.04 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.65 3.82 0.00 1.93 1.98 0.00 3.14 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.04 0.00 13 A 7.53 4.42 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 14 T 8.42 4.83 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 1.24 0.00 0.00 15 V 8.68 3.61 2.23 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 1.05 0.00 0.00 1.03 0.00 0.00 16 T 8.62 4.01 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 1.21 0.00 0.00 17 C 7.33 5.07 0.00 2.94 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 18 A 8.08 4.68 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 19 D 8.37 4.53 0.00 2.79 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 20 L 8.97 4.03 0.00 1.86 1.74 1.08 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.44 4.78 0.00 3.20 3.32 0.00 6.08 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.42 3.26 0.00 3.17 3.05 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 23 V 7.21 4.41 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 0.98 0.00 0.00 0.89 0.00 0.00 24 G 8.82 4.38 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 0.00 25 S 7.83 3.16 0.00 3.58 2.63 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 0.00 0.00 0.00 26 V 5.45 4.83 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 1.01 0.00 0.00 0.84 0.00 0.00 27 T 8.86 4.94 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 1.29 0.00 0.00 28 I 8.83 4.91 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 1.10 0.91 0.91 0.00 0.00 29 D 8.75 4.62 0.00 2.83 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 3.97 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 31 D 8.32 4.37 0.00 2.85 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 32 L 8.08 4.02 0.00 1.89 1.71 0.93 0.86 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 33 M 8.03 4.07 0.00 2.25 2.25 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 2.62 2.58 0.00 34 D 8.01 4.27 0.00 2.68 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 35 A 8.24 3.86 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 36 A 8.47 4.25 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 37 D 7.77 4.32 0.00 2.75 2.63 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 0.00 0.00 0.00 38 L 9.29 4.99 0.00 1.56 1.50 0.91 0.10 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 39 L 8.74 4.64 0.00 1.63 1.59 0.94 1.19 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 40 E 8.73 3.86 0.00 1.96 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 2.36 2.40 0.00 41 G 10.42 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 0.00 0.00 0.00 42 E 8.12 4.73 0.00 2.22 1.80 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 2.21 2.22 0.00 43 Q 9.21 4.56 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.49 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 44 V 10.62 4.76 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 1.01 0.00 0.00 0.99 0.00 0.00 45 T 9.26 5.20 4.48 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 1.34 0.00 0.00 46 I 8.46 5.14 1.87 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 1.22 1.24 0.91 0.00 0.00 47 V 8.55 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 0.74 0.00 0.00 1.02 0.00 0.00 48 D 8.64 4.78 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 49 I 8.72 3.69 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 1.22 0.53 0.91 0.00 0.00 50 D 8.41 4.54 0.00 2.78 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 51 N 8.50 4.98 0.00 2.76 2.83 0.00 0.00 7.14 6.51 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 52 G 8.60 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 0.00 0.00 0.00 53 A 7.64 4.37 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 54 R 8.11 5.37 0.00 1.66 1.83 0.00 3.21 0.00 0.00 3.90 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 55 L 8.65 4.96 0.00 1.54 1.51 0.90 0.75 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 56 V 8.11 4.79 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 0.81 0.00 0.00 0.94 0.00 0.00 57 T 8.98 4.72 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 1.14 0.00 0.00 58 Y 8.95 5.55 0.00 3.10 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 59 A 8.68 5.02 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 60 I 8.99 4.76 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.02 0.97 0.00 0.00 61 T 8.56 4.18 4.37 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 1.23 0.00 0.00 62 G 9.68 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 63 E 8.51 4.35 0.00 2.07 1.82 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 2.37 2.34 0.00 64 R 8.62 4.41 0.00 1.92 1.94 0.00 3.31 0.00 0.00 3.44 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 65 G 8.98 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 66 S 8.34 4.12 0.00 3.95 4.01 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 G 8.71 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 0.00 0.00 0.00 68 V 7.56 3.70 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 1.01 0.00 0.00 0.93 0.00 0.00 69 I 8.31 4.55 2.01 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 1.16 0.50 0.91 0.00 0.00 70 G 8.98 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 0.00 0.00 0.00 0.00 71 I 7.86 4.81 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 1.20 1.11 0.93 0.00 0.00 72 N 10.01 5.09 0.00 2.66 3.01 0.00 0.00 6.96 7.53 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 73 G 10.04 4.14 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 0.00 74 A 8.34 3.78 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 75 A 7.62 4.00 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 76 A 8.01 4.06 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 77 H 8.64 4.69 0.00 3.08 3.32 0.00 5.83 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.31 3.76 0.00 1.76 1.71 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.27 4.40 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 0.80 0.00 0.00 0.90 0.00 0.00 80 H 8.60 5.08 0.00 3.51 3.12 0.00 5.68 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.41 0.00 2.05 2.00 0.00 3.82 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 2.04 2.17 0.00 82 G 8.69 3.93 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 0.00 0.00 0.00 83 D 7.60 4.96 0.00 2.75 2.82 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 84 L 9.98 4.73 0.00 1.50 1.59 0.91 0.73 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 85 V 8.64 4.94 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 0.90 0.00 0.00 0.99 0.00 0.00 86 I 8.67 4.94 1.90 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 1.26 0.71 0.96 0.00 0.00 87 L 8.49 5.30 0.00 1.59 1.55 0.92 0.74 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 88 I 9.05 5.11 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 1.10 0.97 0.48 0.00 0.00 89 A 8.79 4.79 1.20 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 0.00 0.00 0.00 90 Y 9.11 4.85 0.00 2.96 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 91 A 8.24 5.15 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 92 T 8.51 4.65 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 93 M 9.33 4.89 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.47 0.00 94 D 8.63 4.79 0.00 2.73 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 95 D 8.71 4.36 0.00 2.85 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 96 A 7.81 4.12 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 97 R 7.99 3.76 0.00 1.69 1.80 0.00 3.24 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.57 0.00 98 A 7.73 4.06 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 99 R 7.61 4.11 0.00 1.84 1.98 0.00 3.16 0.00 0.00 3.29 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 100 T 7.19 4.40 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 1.23 0.00 0.00 101 Y 8.18 4.80 0.00 3.00 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 0.00 102 Q 8.88 4.30 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 103 P 0.00 3.88 0.00 1.72 1.87 0.00 3.50 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 1.85 1.82 0.00 104 R 8.62 4.03 0.00 1.65 1.81 0.00 3.39 0.00 0.00 3.10 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 105 I 7.76 4.51 1.54 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.58 0.54 0.00 0.00 106 V 8.44 4.00 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 0.94 0.00 0.00 0.85 0.00 0.00 107 F 8.00 5.22 0.00 3.03 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 0.00 108 V 8.20 4.65 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 0.84 0.00 0.00 0.97 0.00 0.00 109 D 8.69 4.50 0.00 2.71 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 0.00 110 A 8.34 3.90 1.09 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 0.00 0.00 111 Y 8.08 4.85 0.00 3.02 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 0.00 112 N 9.36 4.27 0.00 2.81 2.94 0.00 0.00 6.68 7.49 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 0.00 113 K 8.18 4.44 0.00 1.72 1.79 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.52 7.81 *114 P 0.00 4.22 0.00 1.83 1.86 0.00 3.65 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 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.