NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 F 4.6712 8.4245 119.4018 57.1083 39.5482 175.0080 -1 Q 4.2077 8.5812 125.2419 53.6411 30.3945 169.8363 0 G 3.7939 9.4482 113.6656 46.3246 0.0000 176.0714 0 Q 4.1739 9.4382 124.6656 56.9246 28.9499 177.1714 3 C 2.6940 8.2360 123.0500 56.8388 32.0781 172.1771 4 P 4.3419 0.0000 0.0000 62.3800 32.8970 177.2967 5 I 3.6171 8.2576 121.6664 64.7501 37.0691 178.5747 6 E 3.9537 8.1337 118.7670 59.5626 29.2396 179.0954 7 D 4.5088 7.9243 118.4227 57.1772 41.0878 178.3701 8 R 3.6604 8.0775 119.5696 59.5829 29.9446 178.6174 9 L 3.8381 8.1214 118.5750 57.5404 41.5672 179.2546 10 A 3.9974 8.1106 120.8498 55.2434 18.0921 179.8518 11 I 3.5172 7.4703 117.4261 64.3546 37.2187 178.0994 12 Q 3.5728 7.5225 117.7591 59.1775 28.7884 178.8298 13 D 4.4306 8.1842 119.8421 56.8839 40.6229 178.7860 14 L 4.1892 7.5637 118.2165 55.8608 41.8389 178.4911 *16 I 4.0814 7.7821 119.9309 60.8299 39.3071 177.8264 17 A 4.0046 8.5144 122.4139 55.2307 18.1209 178.9606 18 Y 4.0501 8.3950 118.0086 60.9356 38.8535 178.3103 19 A 3.9545 8.1242 121.1460 55.3307 18.3140 178.8931 20 H 3.9751 8.2188 115.6809 59.3603 30.0957 177.0334 21 A 4.1033 8.1742 122.6994 55.1881 18.2336 179.8261 22 V 3.6832 7.6811 116.7486 66.0496 31.4212 177.3322 23 D 4.7595 7.9894 116.3083 55.5786 39.6541 178.0835 24 T 3.8466 7.6713 111.4857 62.3257 68.5181 175.2015 25 V 2.9978 7.1811 119.4134 62.7928 30.6145 172.1735 26 S 4.2883 6.1171 111.0481 57.4320 69.8295 174.9073 27 D 4.6528 7.8230 122.2421 52.6525 38.9827 176.3609 28 I 3.8503 8.0504 125.4731 63.9136 37.5673 177.0939 29 D 4.3706 8.1972 119.0957 57.4841 40.4925 178.6443 30 A 4.0689 8.1789 120.0916 54.8528 18.6870 179.7078 31 V 3.7330 7.6126 116.5170 66.3303 31.5796 178.3633 32 L 4.1151 8.2684 119.0489 57.7448 41.1831 178.8123 33 D 4.3799 8.0902 117.2092 57.1976 41.2118 178.2704 34 V 3.6496 7.9504 118.3171 63.8228 31.5275 175.3202 35 F 5.2805 7.5127 116.7474 55.1824 41.4876 175.5253 36 T 4.1608 8.6090 114.0631 61.3898 69.4167 175.0849 37 E 3.7047 8.8309 123.4250 58.6866 29.6984 177.7448 38 D 4.7160 7.8937 114.9790 52.5588 40.4489 176.1548 39 A 4.3406 7.7477 123.1085 52.9467 19.8969 176.8327 40 V 4.2588 8.8025 121.5528 61.7480 33.2883 174.6778 41 F 4.7607 9.2500 132.2041 56.1447 40.1627 171.9533 42 D 4.8090 8.6912 123.6103 51.4317 42.8885 174.9264 43 L 4.3636 7.5741 125.8100 54.0116 42.5394 179.2596 44 S 4.7191 7.7744 116.3597 60.4517 62.9660 176.5957 45 G 3.6112 7.9760 109.3947 47.4324 0.0000 174.0340 46 I 3.9105 7.8056 111.8794 60.4573 37.5737 176.1835 47 G 4.0116 8.1648 107.6402 45.7747 0.0000 173.6426 48 L 4.7735 7.4709 118.6735 52.6038 43.9994 175.9721 49 T 4.3124 8.2809 118.0358 62.7879 69.0239 173.0817 50 P 4.5851 0.0000 0.0000 63.1088 32.2071 175.5676 51 Q 4.7592 9.3359 120.8002 54.2360 33.3646 174.4651 52 V 4.6398 8.0766 119.9563 62.4508 34.7462 176.2529 53 G 4.4927 9.4084 113.1240 43.6933 0.0000 174.0568 54 H 4.1685 8.6625 114.9573 58.6237 28.6215 177.9632 55 A 4.1057 8.0807 122.3744 55.1656 18.2695 179.8293 56 G 3.4991 7.9343 103.6764 47.9271 0.0000 175.9506 57 I 3.2129 7.5498 122.3904 63.8100 36.9286 178.4331 58 R 3.9255 8.3080 120.0322 59.3218 29.7471 178.1574 59 E 3.8720 8.0125 118.5555 59.1700 29.6706 178.3508 60 F 3.8956 8.0677 120.5517 61.5987 39.3347 177.1824 61 F 3.6840 8.2191 116.8182 60.1310 38.6778 177.8801 62 T 3.8993 8.2018 116.1918 66.5124 68.2755 176.0330 63 N 4.1870 7.7303 118.9133 56.5462 38.8779 176.9665 64 V 3.6217 6.9415 118.1293 66.3806 31.5975 177.7986 65 F 4.7099 8.2778 115.9680 60.4753 38.7661 177.3137 66 A 4.2329 7.9372 119.4803 54.3509 18.3259 177.5465 67 N 4.7206 7.8726 114.0229 53.7704 39.3360 177.0721 *69 S 4.3254 8.2262 113.7216 58.1528 64.2436 173.3451 70 H 5.1331 8.1320 114.7258 54.4930 33.0968 172.1785 71 H 5.5374 8.8259 116.6841 54.4721 33.0588 173.0607 72 A 4.5050 8.4463 123.0879 51.4488 21.6334 175.7880 73 H 4.9497 9.0079 121.1746 54.1307 30.4539 172.4699 74 Y 4.3487 8.9143 121.6789 57.1931 39.2506 174.5868 75 L 5.1356 8.5501 123.6969 53.1626 44.8845 175.6986 76 T 4.2405 8.1147 112.4108 59.9726 73.1115 172.7862 77 N 4.0725 8.3677 115.3738 53.9425 35.8708 175.2504 78 F 4.3034 7.8687 115.1199 57.7100 39.7975 175.1895 79 A 4.6549 8.7459 126.5193 50.2561 22.0331 175.8154 80 V 4.0144 8.6135 123.7372 63.1833 31.7615 175.7204 81 T 4.5346 8.8041 118.3793 61.6106 69.9824 174.7210 82 G 4.1948 7.8441 106.8713 46.1426 0.0000 172.3708 83 Y 5.1896 8.6626 123.7257 56.8202 41.1691 174.0358 84 E 4.3263 8.8781 126.1307 55.5518 29.9657 176.3925 85 G 3.8665 5.9597 110.6814 44.5272 0.0000 174.2781 86 D 4.7770 7.9082 117.8767 53.4355 42.8065 175.5369 87 T 5.5073 7.6346 108.3327 60.3494 72.8241 172.4176 88 A 5.0885 8.8441 123.4275 51.7386 23.7841 174.5869 89 S 5.5570 8.7703 112.7855 56.6913 67.2033 172.8880 *91 R 4.6322 8.4157 118.1334 56.5581 31.3200 174.0209 92 A 4.7515 8.4162 124.7996 50.4952 23.2246 174.8003 93 Y 4.9637 8.6892 117.9751 57.1794 40.0280 175.1927 94 V 4.6854 8.6448 122.0500 60.0042 35.0282 174.7456 95 I 4.4391 8.8249 125.1822 60.0610 38.2654 174.7287 96 G 4.3014 9.2673 115.5721 44.4493 0.0000 171.4623 *98 G 4.4346 8.3901 108.4239 45.8439 0.0000 171.8048 99 V 4.9970 8.5427 119.6142 59.5160 34.6092 175.8619 100 G 4.2271 9.2449 112.2249 45.5200 0.0000 174.8182 101 K 4.1087 8.8210 120.1327 58.8648 32.0552 178.2071 102 D 4.5100 8.0587 116.1921 53.4537 39.7071 177.1989 103 G 3.9631 8.2812 109.0720 45.2578 0.0000 173.7548 104 R 4.3725 8.2385 119.8117 55.5978 31.3840 175.8944 105 A 5.1352 8.6078 125.2950 51.1773 21.0154 176.2738 106 V 4.8401 8.6982 119.0073 60.4536 35.1656 175.0963 107 T 4.8588 9.2154 119.6545 62.0508 72.5589 172.8982 108 V 4.5117 9.2858 127.8514 61.9581 33.2335 174.4976 109 N 5.2551 9.0195 126.4183 52.5010 39.7842 173.6508 110 G 3.9904 8.5093 112.9782 45.4848 0.0000 169.9917 111 R 5.1319 8.4897 118.2060 54.6158 34.1035 174.6802 112 Y 5.0892 8.8531 120.1809 56.5750 40.7855 174.9083 113 F 5.2129 9.5597 122.0944 56.0445 42.4411 173.8643 114 F 5.3809 9.1241 123.2149 55.8810 41.2150 174.4482 115 E 5.1499 9.3690 125.3745 54.7036 31.5768 175.0720 116 V 5.2183 8.9893 119.5603 59.6887 36.2043 174.5016 117 R 5.3353 9.1072 121.8568 54.5560 33.7915 174.4862 118 R 3.6355 8.3616 125.6305 56.1069 30.5485 176.1744 119 T 4.5528 8.4079 115.7706 59.7404 71.7676 175.4471 120 E 3.9447 8.6738 116.9668 58.1796 29.7064 176.8094 121 K 4.4121 8.0313 115.3313 56.5585 32.4731 176.5399 122 G 3.8228 7.9563 107.1412 43.8694 0.0000 173.1965 123 W 4.7032 8.4030 118.3734 56.9149 29.5995 175.9864 124 K 4.9575 9.0702 121.3261 54.3293 36.3170 175.2249 125 A 4.6708 8.7186 125.4986 52.2124 18.9411 178.3083 126 T 4.2903 9.1333 112.9650 61.8100 71.2842 174.7948 127 R 5.1121 7.6777 121.9589 55.0301 33.9853 172.9580 128 Y 5.3691 9.0293 126.9191 56.4036 42.1133 174.0773 129 T 5.2522 8.9097 116.6923 59.0856 72.9778 171.9704 *131 D 4.6774 8.4047 119.7821 53.8033 40.5276 173.5748 132 F 5.1963 8.4400 116.9079 56.4688 40.3236 176.1010 133 L 4.3597 8.5573 123.5532 54.5594 41.8388 174.9250 *135 P 3.7773 0.0000 0.0000 61.4469 32.3901 176.1082 136 L 3.7556 7.6526 123.7593 55.6817 42.4982 176.3951 137 S 4.5705 8.7677 121.4467 59.5853 64.1913 172.5349 138 G 4.0030 9.1791 113.4372 45.2779 0.0000 171.6693 139 T 4.7521 8.2079 110.3840 60.0936 71.8246 173.6506 140 L 4.8141 8.1538 120.7395 54.8533 42.6205 178.8086 141 D 4.4290 8.1132 121.7839 57.3639 40.9878 178.2053 142 N 4.4704 8.1948 114.2388 54.7491 38.7680 175.2384 143 A 4.2457 7.5826 119.3581 51.6024 19.8115 177.0685 144 K 4.1474 7.5227 120.6535 56.3594 32.3576 176.1151 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 F 8.42 4.67 0.00 3.12 3.13 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 0.00 0.00 0.00 0.00 -1 Q 8.58 4.21 0.00 2.15 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.07 0.00 0.00 0.00 0.00 0.00 2.28 1.99 0.00 0 G 9.45 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 0.00 0.00 0.00 0 Q 9.44 4.17 0.00 1.86 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.47 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 3 C 8.24 2.69 0.00 2.34 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 4 P 0.00 4.34 0.00 2.20 1.94 0.00 3.40 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 5 I 8.26 3.62 1.84 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 1.59 0.62 0.87 0.00 0.00 6 E 8.13 3.95 0.00 2.14 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 0.00 2.40 1.98 0.00 7 D 7.92 4.51 0.00 2.85 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 8 R 8.08 3.66 0.00 1.70 2.00 0.00 3.01 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 9 L 8.12 3.84 0.00 1.66 1.61 0.87 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.11 4.00 1.54 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 11 I 7.47 3.52 1.53 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.24 0.74 0.00 0.00 12 Q 7.52 3.57 0.00 1.79 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 1.30 2.17 0.00 13 D 8.18 4.43 0.00 2.76 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 14 L 7.56 4.19 0.00 1.91 1.82 0.98 1.23 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 *16 I 7.78 4.08 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.61 0.92 0.00 0.00 17 A 8.51 4.00 1.40 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 0.00 0.00 18 Y 8.40 4.05 0.00 3.13 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 19 A 8.12 3.95 1.40 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 0.00 0.00 20 H 8.22 3.98 0.00 3.26 3.49 0.00 5.77 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.17 4.10 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 22 V 7.68 3.68 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 1.08 0.00 0.00 0.40 0.00 0.00 23 D 7.99 4.76 0.00 2.79 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.67 3.85 4.08 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 1.19 0.00 0.00 25 V 7.18 3.00 1.86 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 0.66 0.00 0.00 0.86 0.00 0.00 26 S 6.12 4.29 0.00 3.92 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.65 0.00 2.67 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 28 I 8.05 3.85 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.88 0.96 0.00 0.00 29 D 8.20 4.37 0.00 2.87 2.75 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 30 A 8.18 4.07 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 3.73 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 0.89 0.00 0.00 0.60 0.00 0.00 32 L 8.27 4.12 0.00 1.84 1.48 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.09 4.38 0.00 2.84 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 34 V 7.95 3.65 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 0.29 0.00 0.00 1.07 0.00 0.00 35 F 7.51 5.28 0.00 3.10 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 36 T 8.61 4.16 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 1.27 0.00 0.00 37 E 8.83 3.70 0.00 1.99 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 2.32 2.30 0.00 38 D 7.89 4.72 0.00 3.08 2.75 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 39 A 7.75 4.34 1.51 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 0.00 0.00 40 V 8.80 4.26 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 0.86 0.00 0.00 0.92 0.00 0.00 41 F 9.25 4.76 0.00 2.69 2.73 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 42 D 8.69 4.81 0.00 2.58 2.32 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 43 L 7.57 4.36 0.00 1.42 1.39 -0.61 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.77 4.72 0.00 3.96 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 45 G 7.98 3.61 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 46 I 7.81 3.91 1.30 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.71 -0.06 0.00 0.00 47 G 8.16 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 0.00 0.00 0.00 48 L 7.47 4.77 0.00 1.82 1.72 1.13 0.82 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 49 T 8.28 4.31 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 1.22 0.00 0.00 50 P 0.00 4.59 0.00 1.91 1.93 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.23 0.00 51 Q 9.34 4.76 0.00 1.85 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 52 V 8.08 4.64 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 0.78 0.00 0.00 0.92 0.00 0.00 53 G 9.41 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 54 H 8.66 4.17 0.00 3.29 3.37 0.00 5.65 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 55 A 8.08 4.11 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 56 G 7.93 3.50 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 0.00 0.00 0.00 57 I 7.55 3.21 1.61 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.61 0.53 0.00 0.00 58 R 8.31 3.93 0.00 1.89 2.18 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 59 E 8.01 3.87 0.00 2.34 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 0.00 2.31 2.19 0.00 60 F 8.07 3.90 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 61 F 8.22 3.68 0.00 2.94 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 0.00 0.00 0.00 0.00 62 T 8.20 3.90 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 63 N 7.73 4.19 0.00 2.65 2.70 0.00 0.00 6.79 7.60 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 64 V 6.94 3.62 1.71 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 1.08 0.00 0.00 0.17 0.00 0.00 65 F 8.28 4.71 0.00 3.13 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 66 A 7.94 4.23 1.40 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 0.00 0.00 67 N 7.87 4.72 0.00 2.91 2.99 0.00 0.00 6.53 7.11 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 *69 S 8.23 4.33 0.00 3.85 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 70 H 8.13 5.13 0.00 3.13 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.83 5.54 0.00 3.03 3.49 0.00 5.72 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 72 A 8.45 4.50 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 73 H 9.01 4.95 0.00 3.03 3.37 0.00 5.85 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.91 4.35 0.00 2.96 2.86 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 75 L 8.55 5.14 0.00 1.49 1.11 1.01 0.05 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 76 T 8.11 4.24 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 1.17 0.00 0.00 77 N 8.37 4.07 0.00 1.84 2.13 0.00 0.00 6.88 7.45 0.00 0.00 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 F 7.87 4.30 0.00 2.98 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 79 A 8.75 4.65 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 80 V 8.61 4.01 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 0.89 0.00 0.00 0.84 0.00 0.00 81 T 8.80 4.53 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 1.38 0.00 0.00 82 G 7.84 4.19 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 0.00 83 Y 8.66 5.19 0.00 2.90 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 84 E 8.88 4.33 0.00 1.83 1.85 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 2.22 2.24 0.00 85 G 5.96 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 0.00 0.00 0.00 86 D 7.91 4.78 0.00 2.53 2.58 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 0.00 0.00 0.00 87 T 7.63 5.51 4.52 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 1.26 0.00 0.00 88 A 8.84 5.09 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 89 S 8.77 5.56 0.00 4.03 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 *91 R 8.42 4.63 0.00 2.12 1.94 0.00 3.32 0.00 0.00 3.62 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.32 0.00 92 A 8.42 4.75 0.72 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 0.00 0.00 93 Y 8.69 4.96 0.00 2.71 2.73 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 94 V 8.64 4.69 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 0.84 0.00 0.00 1.01 0.00 0.00 95 I 8.82 4.44 1.95 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.99 0.91 0.00 0.00 96 G 9.27 4.30 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 0.00 *98 G 8.39 4.43 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 0.00 99 V 8.54 5.00 2.14 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 0.79 0.00 0.00 0.97 0.00 0.00 100 G 9.24 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 0.00 0.00 0.00 0.00 101 K 8.82 4.11 0.00 1.75 1.89 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.53 7.81 102 D 8.06 4.51 0.00 2.77 2.78 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 0.00 0.00 0.00 103 G 8.28 3.96 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 0.00 0.00 0.00 104 R 8.24 4.37 0.00 1.94 1.88 0.00 3.13 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 1.64 1.60 0.00 105 A 8.61 5.14 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 0.00 106 V 8.70 4.84 2.31 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 0.89 0.00 0.00 1.15 0.00 0.00 107 T 9.22 4.86 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 1.26 0.00 0.00 108 V 9.29 4.51 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 1.06 0.00 0.00 1.14 0.00 0.00 109 N 9.02 5.26 0.00 2.79 2.76 0.00 0.00 6.76 7.59 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 0.00 110 G 8.51 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 0.00 111 R 8.49 5.13 0.00 1.60 1.22 0.00 3.12 0.00 0.00 3.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.32 0.00 112 Y 8.85 5.09 0.00 2.68 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 0.00 113 F 9.56 5.21 0.00 3.02 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 0.00 114 F 9.12 5.38 0.00 2.88 2.98 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 0.00 115 E 9.37 5.15 0.00 2.11 1.85 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 2.26 2.37 0.00 116 V 8.99 5.22 2.44 0.00 0.00 0.00 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 0.80 0.00 0.00 117 R 9.11 5.34 0.00 1.91 1.77 0.00 3.08 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 118 R 8.36 3.64 0.00 1.24 1.42 0.00 3.03 0.00 0.00 2.95 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 119 T 8.41 4.55 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 1.22 0.00 0.00 120 E 8.67 3.94 0.00 2.01 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 0.00 2.23 1.91 0.00 121 K 8.03 4.41 0.00 1.74 1.83 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.35 7.81 122 G 7.96 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 0.00 0.00 0.00 123 W 8.40 4.70 0.00 3.30 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 0.00 124 K 9.07 4.96 0.00 1.68 1.68 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.54 7.81 125 A 8.72 4.67 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.13 4.29 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 1.27 0.00 0.00 127 R 7.68 5.11 0.00 1.87 1.77 0.00 3.11 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 128 Y 9.03 5.37 0.00 2.45 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.91 5.25 4.16 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 1.16 0.00 0.00 *131 D 8.40 4.68 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.44 5.20 0.00 3.07 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 0.00 133 L 8.56 4.36 0.00 1.51 1.58 0.11 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 *135 P 0.00 3.78 0.00 1.96 1.88 0.00 3.63 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.98 0.00 136 L 7.65 3.76 0.00 1.12 1.38 1.17 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.77 4.57 0.00 4.10 3.78 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 0.00 0.00 0.00 138 G 9.18 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 0.00 139 T 8.21 4.75 4.33 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 1.23 0.00 0.00 140 L 8.15 4.81 0.00 1.78 1.74 1.11 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.11 4.43 0.00 2.79 2.71 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 0.00 142 N 8.19 4.47 0.00 2.73 2.88 0.00 0.00 6.76 7.35 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 0.00 143 A 7.58 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 0.00 144 K 7.52 4.15 0.00 1.87 1.69 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.54 7.81 * Residues marked with a * may have inaccurate shift predictions.