NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5270 8.1749 117.3751 63.7158 70.1198 172.9793 2 T 4.5952 9.6332 121.6322 60.0945 72.1416 171.4589 3 I 5.2350 9.2647 120.7924 59.3241 41.2908 174.6242 4 V 4.6465 8.9265 116.6426 59.8837 36.6335 174.4215 5 G 4.4756 8.5544 108.3139 44.6838 0.0000 172.2485 6 V 4.5764 9.0703 124.5250 61.1391 34.7937 174.3169 7 K 4.9474 8.8788 127.6600 55.5675 33.6372 175.9100 8 F 5.0888 8.6021 118.1963 54.1445 41.1030 175.3836 9 N 4.1988 9.0097 117.6276 55.8480 36.6167 174.7665 10 N 4.8571 7.8548 115.3210 51.1361 40.4305 174.5656 11 G 3.5982 5.5127 103.7454 45.4153 0.0000 172.1891 12 V 5.2148 7.8711 119.0525 60.2821 34.8286 175.0865 13 V 4.7469 9.0654 121.3516 59.9921 34.7543 174.2499 14 I 5.1903 8.4559 115.7165 59.2536 40.4846 174.0856 15 A 4.9106 8.6802 124.6079 50.8389 23.1311 174.3047 16 A 5.6054 8.4568 118.7371 52.1864 22.3317 175.7659 17 D 4.7740 8.5318 119.8651 52.4566 41.9462 176.2730 18 T 4.8565 8.1778 105.5152 60.4320 70.3254 172.7308 19 R 4.9677 8.4675 122.4527 55.5215 31.5423 175.3579 20 S 5.0280 8.8555 120.7683 56.8444 65.4932 172.6465 21 T 5.2152 8.3131 114.3900 60.5553 72.6250 173.4690 22 Q 4.3290 8.7368 120.4790 54.8982 31.9260 176.0406 23 G 3.9084 8.3330 115.6561 46.4930 0.0000 171.5043 24 P 4.7119 0.0000 0.0000 62.0589 31.7473 174.6175 25 I 4.1885 7.4389 121.0109 59.9728 38.1901 175.1771 26 V 4.0884 8.2877 125.0946 62.6128 31.6523 175.5245 27 A 4.0958 9.0456 131.7845 54.5351 18.7966 176.8723 28 D 4.8044 7.7472 115.2607 52.2808 43.4380 176.3332 29 K 4.1910 8.7426 125.9487 58.8100 32.8610 177.1924 30 N 5.2551 8.4469 117.3021 52.5819 38.3687 173.0777 31 C 4.7155 9.0626 118.4027 56.9228 33.1557 173.9914 32 A 4.8247 8.4168 121.6367 50.7323 19.6346 176.9379 33 K 4.3633 8.7239 120.9246 56.5821 33.7666 175.8060 34 L 4.9548 7.7432 121.1721 53.6654 42.8977 175.4660 35 H 4.9186 9.5669 121.9358 53.8494 31.9125 173.4763 36 R 3.1397 7.9511 122.9755 54.8804 29.8135 175.9331 37 I 3.8771 8.0963 128.7720 63.4869 37.8406 176.1649 38 S 4.5589 7.2827 112.2014 55.9394 65.8235 172.6915 39 P 4.3807 0.0000 0.0000 65.4581 31.3428 177.3267 40 K 4.9428 7.9416 115.9666 56.0506 34.2314 176.4317 41 I 4.7088 8.3436 121.8681 59.7409 40.0272 174.1923 42 W 5.1332 9.1193 126.6659 54.9109 32.1574 174.7748 43 C 5.3674 9.6968 123.5490 57.6592 34.2733 172.3445 44 A 5.1506 9.4192 128.4684 50.5733 20.7396 175.9977 45 G 4.5377 9.0234 108.6769 44.4129 0.0000 171.7147 46 A 4.8812 9.9448 126.2098 48.9947 22.8020 175.8340 47 G 4.1220 9.0787 103.8521 45.0700 0.0000 176.8548 48 T 4.2233 9.6825 126.0818 62.2098 68.0841 175.0282 49 A 3.9768 8.8236 129.0859 55.5559 18.3572 178.8357 50 A 3.9672 8.1091 118.1074 55.3326 18.2389 179.4894 51 D 4.2552 8.4007 118.2043 57.5517 41.0351 178.9814 52 T 3.7974 7.7805 109.8942 64.6120 68.7858 175.9562 53 E 3.6666 8.2481 121.9093 58.8146 29.7090 178.6032 54 A 3.9047 7.8591 120.8720 55.2636 18.6258 180.0100 55 V 3.4800 8.0004 117.9168 65.1517 31.2892 178.6960 56 T 3.7868 7.8717 116.3245 66.4340 68.1824 176.7132 57 Q 3.8686 7.9808 119.8703 58.8169 28.8040 178.0484 58 L 3.9759 7.8385 121.3056 58.7218 41.9919 179.2581 59 I 3.7858 7.6440 118.9123 64.0892 36.9928 178.6932 60 G 3.5562 8.0423 106.7118 47.7828 0.0000 175.6116 61 S 4.0454 8.7610 116.4800 61.3039 62.3665 176.1205 62 N 4.3916 8.1986 119.0540 56.2954 38.2316 177.5799 63 I 3.7117 8.2172 121.8465 63.9223 37.0125 178.1490 64 E 3.8838 8.1331 120.3601 59.3836 29.5920 178.8223 65 L 3.9994 7.9016 119.0554 58.0574 41.5592 179.1393 66 H 4.1457 8.5747 118.4892 59.1071 29.7592 177.1099 67 S 4.1175 8.5975 115.3784 61.5858 62.0139 176.1278 68 L 3.9830 7.9668 120.2920 57.9908 41.4399 178.6716 69 Y 4.1080 7.9931 118.5099 60.7339 38.9305 177.6078 70 T 4.2359 8.1874 108.0815 61.4692 69.5882 174.5775 71 S 3.8141 8.2950 116.9407 59.7904 60.9313 171.9471 72 R 4.7487 7.7392 116.0742 53.9405 33.8635 175.5370 73 E 4.1602 8.6094 119.9296 55.8353 30.1405 175.5318 74 P 4.4907 0.0000 0.0000 62.6417 32.4221 176.1619 75 R 4.8461 8.1337 119.6322 54.5765 32.4848 177.8642 76 V 3.6917 8.9453 120.7906 66.0565 31.5459 179.0470 77 V 3.7180 7.7460 111.4932 63.8308 31.4147 178.5235 78 S 4.0883 7.8299 114.9502 61.4071 62.6583 176.3699 79 A 3.9786 7.8749 123.0657 55.0020 18.2784 179.2825 80 L 3.8814 8.1181 119.0110 58.1528 42.1521 178.8798 81 Q 4.0392 8.0788 119.4062 58.9734 28.9333 177.8091 82 M 4.0942 7.9945 119.8429 58.1932 31.9851 178.5556 83 L 4.0548 8.1636 119.5882 57.6205 41.7996 179.4919 84 K 3.9748 8.0349 118.3960 60.4791 32.4178 179.1107 85 Q 4.0501 8.1630 118.9418 58.4611 28.2945 178.3281 86 H 4.2895 7.7464 119.0731 59.2998 30.2474 176.9254 87 L 4.1567 8.1078 120.8495 57.8717 41.5573 179.3610 88 F 4.1315 8.6977 120.9427 61.0805 39.0769 177.0406 89 K 3.9371 7.8590 118.2068 59.0788 32.1031 177.0945 90 Y 4.2320 7.7543 115.6566 57.3041 38.5415 175.6189 91 Q 3.0301 7.4289 116.1693 56.7772 26.9206 175.9794 *93 G 4.2465 7.7540 104.6809 45.4075 0.0000 175.1189 94 H 4.2429 8.5291 117.1511 57.9924 28.8182 175.4025 95 I 4.0542 6.9877 120.8359 59.4331 37.1147 177.2144 96 G 3.9879 8.6367 117.6741 45.6930 0.0000 169.8218 97 A 5.0521 7.3967 122.1878 50.4369 22.1399 175.8267 98 Y 4.5768 8.8841 119.8747 56.1871 41.0298 174.8225 99 L 5.3455 8.6984 123.4340 52.9030 46.0274 176.4468 100 I 4.5432 9.0930 123.6639 59.7594 39.4049 174.6787 101 V 4.9001 8.4336 126.7688 60.0989 33.5895 174.9329 102 A 4.6506 9.6067 124.9826 50.8092 23.3921 174.6367 103 G 4.7288 7.9879 104.5939 43.8067 0.0000 172.8231 104 V 4.5526 7.5188 113.3702 59.7164 34.2928 176.1933 105 D 4.2431 8.3552 120.6014 54.0572 38.7535 175.1750 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 T 8.17 4.53 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 1.24 0.00 0.00 2 T 9.63 4.60 4.24 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 1.21 0.00 0.00 3 I 9.26 5.23 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.95 0.00 0.00 4 V 8.93 4.65 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 0.70 0.00 0.00 0.94 0.00 0.00 5 G 8.55 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 0.00 0.00 0.00 0.00 6 V 9.07 4.58 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 1.02 0.00 0.00 0.95 0.00 0.00 7 K 8.88 4.95 0.00 1.70 1.69 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 8 F 8.60 5.09 0.00 3.24 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 9 N 9.01 4.20 0.00 2.85 3.11 0.00 0.00 5.67 8.04 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 10 N 7.85 4.86 0.00 2.61 2.79 0.00 0.00 6.82 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 11 G 5.51 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 5.21 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 0.82 0.00 0.00 1.05 0.00 0.00 13 V 9.07 4.75 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 1.07 0.00 0.00 0.89 0.00 0.00 14 I 8.46 5.19 1.92 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.97 0.00 0.00 15 A 8.68 4.91 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 16 A 8.46 5.61 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 17 D 8.53 4.77 0.00 2.69 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 18 T 8.18 4.86 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 1.22 0.00 0.00 19 R 8.47 4.97 0.00 1.85 2.02 0.00 3.20 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 20 S 8.86 5.03 0.00 3.93 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 21 T 8.31 5.22 4.34 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 1.22 0.00 0.00 22 Q 8.74 4.33 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.67 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 23 G 8.33 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 0.00 0.00 0.00 24 P 0.00 4.71 0.00 2.17 2.14 0.00 3.76 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 1.90 1.96 0.00 25 I 7.44 4.19 1.99 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 1.18 0.57 0.91 0.00 0.00 26 V 8.29 4.09 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 0.83 0.00 0.00 0.93 0.00 0.00 27 A 9.05 4.10 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 28 D 7.75 4.80 0.00 2.67 2.49 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 29 K 8.74 4.19 0.00 1.79 1.86 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.43 7.81 30 N 8.45 5.26 0.00 2.68 2.68 0.00 0.00 7.11 8.31 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 31 C 9.06 4.72 0.00 3.03 3.24 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 32 A 8.42 4.82 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 33 K 8.72 4.36 0.00 1.74 2.01 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.47 7.81 34 L 7.74 4.95 0.00 1.58 1.85 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.57 4.92 0.00 3.07 3.09 0.00 5.60 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 36 R 7.95 3.14 0.00 0.67 1.13 0.00 3.09 0.00 0.00 2.90 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 37 I 8.10 3.88 1.96 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 1.27 0.57 0.85 0.00 0.00 38 S 7.28 4.56 0.00 3.92 3.87 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 39 P 0.00 4.38 0.00 2.12 2.28 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 40 K 7.94 4.94 0.00 1.59 1.83 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.49 7.81 41 I 8.34 4.71 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 1.28 0.79 1.00 0.00 0.00 42 W 9.12 5.13 0.00 3.29 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 43 C 9.70 5.37 0.00 2.93 2.77 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 0.00 0.00 0.00 44 A 9.42 5.15 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 45 G 9.02 4.54 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 0.00 0.00 0.00 46 A 9.94 4.88 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 47 G 9.08 4.12 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 0.00 0.00 0.00 48 T 9.68 4.22 4.47 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 0.00 0.00 0.00 1.22 0.00 0.00 49 A 8.82 3.98 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 50 A 8.11 3.97 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 51 D 8.40 4.26 0.00 2.88 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 52 T 7.78 3.80 4.24 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 1.32 0.00 0.00 53 E 8.25 3.67 0.00 2.10 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 0.00 2.30 2.34 0.00 54 A 7.86 3.90 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 55 V 8.00 3.48 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 0.80 0.00 0.00 0.88 0.00 0.00 56 T 7.87 3.79 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 1.11 0.00 0.00 57 Q 7.98 3.87 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 58 L 7.84 3.98 0.00 1.66 1.69 0.87 0.83 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 59 I 7.64 3.79 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.29 0.86 0.00 0.00 60 G 8.04 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 61 S 8.76 4.05 0.00 3.82 4.02 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 62 N 8.20 4.39 0.00 2.75 2.82 0.00 0.00 7.10 6.53 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 63 I 8.22 3.71 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.57 0.90 0.00 0.00 64 E 8.13 3.88 0.00 2.04 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 0.00 2.31 2.35 0.00 65 L 7.90 4.00 0.00 1.90 1.73 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.57 4.15 0.00 3.20 3.47 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.60 4.12 0.00 4.01 4.09 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 68 L 7.97 3.98 0.00 1.91 1.76 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.99 4.11 0.00 3.08 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 70 T 8.19 4.24 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 1.21 0.00 0.00 71 S 8.30 3.81 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 72 R 7.74 4.75 0.00 1.76 1.79 0.00 3.24 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.84 0.00 73 E 8.61 4.16 0.00 1.97 1.91 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 2.33 2.30 0.00 74 P 0.00 4.49 0.00 2.05 1.99 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 75 R 8.13 4.85 0.00 1.86 1.82 0.00 3.14 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 76 V 8.95 3.69 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 1.05 0.00 0.00 1.04 0.00 0.00 77 V 7.75 3.72 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 0.89 0.00 0.00 0.93 0.00 0.00 78 S 7.83 4.09 0.00 4.07 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 79 A 7.87 3.98 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 80 L 8.12 3.88 0.00 1.89 1.85 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.08 4.04 0.00 2.39 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 82 M 7.99 4.09 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.53 0.00 83 L 8.16 4.05 0.00 1.78 1.71 0.92 0.71 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 84 K 8.03 3.97 0.00 2.03 2.14 0.00 1.27 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.57 7.81 85 Q 8.16 4.05 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 86 H 7.75 4.29 0.00 3.26 3.56 0.00 5.96 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 87 L 8.11 4.16 0.00 1.92 1.70 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.70 4.13 0.00 3.19 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 89 K 7.86 3.94 0.00 2.01 2.12 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.09 1.35 7.81 90 Y 7.75 4.23 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 91 Q 7.43 3.03 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.45 0.00 0.00 0.00 0.00 0.00 2.06 2.28 0.00 *93 G 7.75 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 0.00 0.00 0.00 0.00 94 H 8.53 4.24 0.00 3.29 3.40 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.99 4.05 1.74 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.35 0.77 0.00 0.00 96 G 8.64 3.99 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 0.00 0.00 0.00 97 A 7.40 5.05 1.08 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 98 Y 8.88 4.58 0.00 3.09 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 99 L 8.70 5.35 0.00 1.50 1.56 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 100 I 9.09 4.54 1.93 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 1.33 0.73 0.96 0.00 0.00 101 V 8.43 4.90 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 0.73 0.00 0.00 0.97 0.00 0.00 102 A 9.61 4.65 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 0.00 103 G 7.99 4.73 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 0.00 104 V 7.52 4.55 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 0.74 0.00 0.00 0.97 0.00 0.00 105 D 8.36 4.24 0.00 2.82 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 * Residues marked with a * may have inaccurate shift predictions.