NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-3 H 4.7875 8.4449 117.3740 54.6311 30.0469 172.2003 -2 H 4.6806 8.4196 115.8537 54.9868 30.8835 171.3930 -1 H 5.2322 8.9507 116.9485 54.5486 31.0841 171.3897 0 H 3.7302 8.3479 121.9216 55.7907 28.3195 175.3235 -1 K 4.8222 8.8207 119.1485 55.7486 35.1841 173.8897 0 V 3.1202 7.9579 122.9216 62.9907 32.2195 177.5235 4 S 4.2091 8.0683 113.5314 61.4443 62.8071 176.1640 5 D 4.2797 7.8128 122.0607 57.1776 40.5828 178.6433 6 I 3.5664 7.3740 119.8326 64.0669 37.2379 178.0567 7 L 3.7113 7.7553 119.3603 58.1745 41.5815 179.5677 8 T 3.8243 7.6826 115.2087 66.5419 68.3771 176.8316 9 V 3.3947 7.5284 119.8540 65.9593 31.5969 178.0282 10 A 4.1327 8.1699 120.8760 55.0281 18.0685 179.6934 11 I 3.8398 8.1075 118.9313 64.7782 37.1978 178.9230 12 R 3.9973 7.9317 118.4693 59.0247 29.7737 179.0896 13 L 4.2104 8.0255 118.9624 57.9302 41.4698 179.4394 14 E 4.1607 8.4463 118.4213 59.4289 29.3023 179.2188 15 E 3.9942 8.4076 118.7109 59.5368 29.4551 179.3130 16 E 3.7964 8.6430 119.1698 58.8660 29.3675 179.5140 17 G 3.4647 8.0048 106.1543 47.5006 0.0000 175.1479 18 E 4.0787 8.1421 121.7868 59.2721 29.5763 179.2286 19 R 3.8875 7.6161 117.8329 59.2786 30.1237 178.3452 20 F 4.1956 8.2166 120.6278 62.1577 39.3820 176.9236 21 Y 4.1090 8.1241 115.9210 60.9141 37.4620 178.6982 22 R 3.9702 8.0185 118.9103 59.5247 30.5978 178.0945 23 E 4.2313 8.5100 118.8025 59.4476 29.3651 179.3305 24 L 3.8914 8.3804 119.6152 57.5565 41.3139 179.4825 25 S 4.5328 7.7538 112.5132 60.7773 62.9923 175.6524 26 E 4.1575 7.9084 121.0665 58.0972 29.4644 176.7531 27 H 4.3258 8.1770 115.1657 55.6878 29.4572 174.1224 28 F 5.0867 7.5966 116.4811 56.1691 43.2162 173.5557 29 N 5.0690 9.2028 116.2186 54.2226 42.6604 175.8281 30 G 4.2090 7.6502 102.4027 44.7785 0.0000 174.1124 31 E 3.9250 9.4723 125.4218 59.3135 29.2134 178.0456 32 I 3.3624 7.6415 119.0688 64.0986 37.2439 177.9564 33 K 4.0745 8.1876 119.7794 59.6994 32.0698 178.2669 34 K 3.8926 7.8877 119.2334 59.8801 31.8955 178.7495 35 T 3.6976 7.8037 115.7779 66.7628 68.4327 176.6176 36 F 4.3125 7.7961 119.4931 60.7599 38.9063 177.8758 37 L 4.1479 8.2010 118.6207 57.5300 41.3417 179.2426 38 E 3.9311 8.2898 118.6243 59.4796 29.4066 179.2066 39 L 3.6847 8.0791 119.0197 57.7350 41.5592 179.5655 40 A 4.1796 8.1297 120.4992 55.3480 18.3744 179.2158 41 D 4.2809 8.2687 116.5634 57.4651 41.2782 178.4394 42 Q 3.8862 8.4075 118.9292 59.0382 28.7784 178.5794 43 E 4.2883 8.3971 120.9672 58.9273 29.5210 178.8956 44 R 3.9759 8.1411 118.5227 60.0555 29.9503 178.2294 45 I 3.6624 7.7912 118.9363 64.8359 37.1299 178.1364 46 H 3.9035 8.0198 116.5279 58.7401 28.4313 177.6505 47 A 4.1188 8.0571 122.4161 55.3970 18.1828 179.5787 48 E 3.9091 8.2613 116.9002 59.3027 29.1811 179.8267 49 I 3.7168 7.0912 119.0362 64.3307 37.3997 177.9460 50 F 4.7096 7.7603 117.2772 60.6898 39.0335 177.7872 51 R 4.1825 8.4613 118.0015 58.9927 29.8812 179.8074 52 K 4.0598 7.6742 116.5442 57.2822 32.0089 178.2332 *54 S 4.4544 8.0318 113.6424 57.7321 64.9189 174.4897 55 D 4.4740 8.1032 119.6842 56.5534 41.0449 176.7649 56 Q 4.4918 7.8433 115.6957 56.2117 30.1120 176.1351 57 E 4.1080 8.0496 117.0837 55.9258 30.3265 176.7930 58 N 4.5054 8.6071 120.4012 53.2708 40.8890 175.6411 59 W 4.4885 9.0322 135.0000 61.1367 30.5523 178.0118 60 D 4.1338 8.0532 117.1915 57.0815 40.5314 177.9504 61 E 3.9615 8.4861 120.2050 59.2284 29.7671 179.1398 62 V 3.5574 7.7948 119.1417 64.5965 31.0519 176.7028 63 D 4.0397 7.4375 116.0457 53.2494 41.2140 176.0814 64 S 4.2558 6.8609 114.2651 58.1037 63.9139 173.4536 65 Y 4.3577 8.0693 121.3024 57.5364 38.3873 175.4120 66 L 4.2257 8.5581 124.9044 53.7838 42.2818 176.9276 67 A 4.1044 8.5356 127.0475 53.1565 19.5390 179.0746 68 G 3.7725 8.3950 107.5653 45.8745 0.0000 172.3157 69 Y 4.5598 8.6145 123.6867 56.1260 39.9000 176.4996 70 A 4.5040 8.3372 130.5060 50.5465 19.2927 176.5219 71 F 4.0225 8.8834 125.1393 58.9431 40.2120 174.1922 72 Y 4.0004 6.7027 120.6805 55.8397 40.0900 173.3086 73 E 4.4298 7.9600 120.4039 54.3039 32.4905 176.7195 74 V 3.9142 8.2168 116.4133 60.6206 32.4451 175.8668 75 F 3.8008 8.6755 124.3346 57.7182 39.6698 173.5479 76 P 4.3211 0.0000 0.0000 62.3310 31.7650 175.4800 77 D 4.5367 8.5500 120.9479 54.5529 41.6090 176.0362 78 T 4.6658 8.4637 114.9460 60.9822 69.8886 175.7666 79 S 4.1995 8.4818 118.4613 61.6923 63.0460 176.1727 80 E 4.1330 8.0987 122.0148 59.1689 29.5627 178.7772 81 I 3.7424 7.7143 112.5132 64.1647 37.4496 177.6115 82 L 4.1959 7.8554 118.4151 56.1494 41.4443 178.6635 83 R 4.1048 7.7969 118.7204 57.8238 30.4190 176.8541 84 R 4.1393 7.6901 117.4176 56.3008 30.5198 176.5344 85 K 4.5328 8.5231 118.5214 56.3625 32.9188 176.1680 86 D 4.9452 7.6044 118.3084 52.7131 39.9145 175.8447 87 L 4.2994 8.0113 119.6588 55.9647 42.0554 177.7367 88 T 4.5611 8.4979 113.2978 60.8313 71.4695 175.9704 89 L 3.9033 8.6347 124.0190 58.0678 42.1087 178.9915 90 K 3.8742 8.1948 119.4342 59.7804 31.9805 178.3749 91 E 4.0089 8.1011 117.4183 59.2866 29.4523 179.2860 92 V 3.6779 7.6254 118.0998 65.9380 31.6886 178.0551 93 L 4.1749 8.4372 119.1971 57.9060 41.5516 179.1698 94 D 4.4467 8.4429 119.0052 57.4918 40.7728 179.0449 95 I 3.7033 7.7280 119.9618 64.3077 37.1730 178.2302 96 A 4.2583 8.4086 121.6472 55.5417 18.3007 179.8287 97 I 3.8110 8.3772 118.6835 64.5009 36.9419 178.7198 98 S 4.1163 8.0004 113.6250 61.5112 62.1896 176.6421 99 V 3.5343 7.8632 115.1401 63.8611 31.0926 178.1956 100 E 4.0376 8.3496 119.3166 59.4125 29.4517 178.9505 101 K 3.9867 8.1806 118.4067 59.6788 31.9165 179.1049 102 D 4.5942 7.8302 118.9771 57.6372 40.7545 179.0091 103 S 3.8521 8.4000 115.9475 61.3176 62.7073 176.8255 104 I 3.7458 8.1239 123.0418 64.3770 36.8833 178.3465 105 I 3.8930 7.6417 120.4579 64.4787 36.9898 178.2605 106 L 4.2848 7.5963 122.2503 57.9723 41.9337 178.6645 107 Y 4.3516 7.6419 116.7860 61.1601 37.7367 177.9995 108 Y 4.2952 8.2735 117.9514 61.1211 37.4908 178.4308 109 E 4.0385 8.3859 119.4608 59.3596 29.6266 179.1232 110 L 3.9418 8.0485 120.2042 58.0841 41.6665 178.7973 111 K 3.9512 8.1639 119.4685 59.8654 31.9322 178.4359 112 D 4.5774 8.2473 117.7167 56.6939 40.7551 178.1576 113 G 3.8436 7.8080 104.5817 44.7116 0.0000 174.2105 114 L 4.3689 7.0671 120.4457 54.6029 42.3725 176.7958 115 V 4.1612 9.6100 122.4626 63.7752 33.5626 176.5542 116 N 4.5118 8.2824 118.8608 53.3511 40.1421 175.6845 117 S 4.2795 8.6949 122.8014 61.0605 63.3460 176.4422 118 D 4.2467 8.9543 123.2105 57.2032 40.6505 178.0022 119 A 4.0104 8.2544 120.7524 55.6413 18.2999 179.3884 120 Q 3.9931 8.0964 116.1089 59.1870 28.8148 179.3309 121 K 3.9715 8.1176 120.4856 59.7352 32.0536 179.0598 122 T 3.8431 8.1036 116.4183 66.5823 68.3028 176.8940 123 V 3.6180 7.9939 120.2285 65.5639 31.4812 177.9606 124 K 3.8536 8.2518 119.6978 59.1771 32.0122 178.4376 125 K 3.7986 7.9454 119.8892 59.7285 32.0487 178.7315 126 I 3.3902 7.2676 119.7991 64.2237 36.8588 178.3752 127 I 3.5731 7.6983 120.6398 64.5447 37.0251 178.0096 128 D 4.3758 8.1598 119.6402 57.7642 40.6715 179.1843 129 Q 4.0348 8.1521 118.2733 58.9508 28.7037 178.6032 130 E 3.8804 8.5021 120.1321 59.2682 29.4728 179.4974 131 K 4.1768 8.4160 118.6833 59.1449 32.1052 179.2843 132 E 4.0795 8.2343 119.0252 59.3437 29.2304 178.9770 133 H 4.1560 8.2172 116.5261 58.7342 28.7876 177.3386 134 L 4.0173 8.0379 122.0747 58.4018 41.8492 178.8960 135 R 3.8907 7.9915 118.4642 59.3820 29.7023 178.3955 136 K 3.8920 7.7966 118.4435 59.4443 32.3059 178.3825 137 L 4.1411 8.0238 118.5035 58.0206 41.8077 179.3289 138 L 4.2355 8.2352 118.8884 57.3496 41.4978 179.1765 139 E 4.1688 8.1899 115.7006 57.0049 28.9518 178.0733 *141 K 4.1644 7.8556 118.9536 56.1072 33.8626 176.9737 142 R 4.0330 8.1026 117.4451 59.2302 30.2470 177.4348 143 E 4.2011 8.2496 116.7347 58.6924 29.7777 178.2599 144 S 4.7975 7.8511 110.0967 58.0964 63.5606 174.0517 145 T 4.2136 7.6564 123.0597 64.5955 69.2917 173.7424 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 H 8.44 4.79 0.00 2.67 2.91 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.42 4.68 0.00 3.19 2.77 0.00 5.57 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 -1 H 8.95 5.23 0.00 3.12 3.08 0.00 6.10 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.35 3.73 0.00 3.32 3.19 0.00 5.73 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 -1 K 8.82 4.82 0.00 1.67 1.67 0.00 0.61 0.00 0.00 1.62 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.47 7.81 0 V 7.96 3.12 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 0.75 0.00 0.00 0.93 0.00 0.00 4 S 8.07 4.21 0.00 4.09 4.13 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 5 D 7.81 4.28 0.00 2.80 2.64 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 6 I 7.37 3.57 1.92 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 1.77 0.75 0.81 0.00 0.00 7 L 7.76 3.71 0.00 1.76 1.64 0.91 0.65 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 8 T 7.68 3.82 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 1.16 0.00 0.00 9 V 7.53 3.39 1.90 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 0.67 0.00 0.00 0.32 0.00 0.00 10 A 8.17 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.11 3.84 2.04 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 1.66 0.88 1.00 0.00 0.00 12 R 7.93 4.00 0.00 2.02 1.98 0.00 3.09 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 13 L 8.03 4.21 0.00 1.96 1.94 0.81 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.45 4.16 0.00 2.33 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 2.83 2.79 0.00 15 E 8.41 3.99 0.00 2.16 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 2.35 2.55 0.00 16 E 8.64 3.80 0.00 1.50 1.12 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 2.33 2.39 0.00 17 G 8.00 3.46 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 0.00 18 E 8.14 4.08 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 19 R 7.62 3.89 0.00 1.87 1.92 0.00 3.18 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 20 F 8.22 4.20 0.00 2.85 2.92 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 21 Y 8.12 4.11 0.00 3.14 3.22 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 22 R 8.02 3.97 0.00 2.06 1.98 0.00 3.29 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 23 E 8.51 4.23 0.00 2.23 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 2.33 2.42 0.00 24 L 8.38 3.89 0.00 1.13 0.84 -0.12 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.75 4.53 0.00 4.22 4.31 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 26 E 7.91 4.16 0.00 2.08 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 2.31 2.33 0.00 27 H 8.18 4.33 0.00 2.77 2.52 0.00 5.60 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 28 F 7.60 5.09 0.00 3.29 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 29 N 9.20 5.07 0.00 2.76 2.86 0.00 0.00 6.57 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 30 G 7.65 4.21 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 0.00 31 E 9.47 3.93 0.00 1.94 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 0.00 2.38 2.33 0.00 32 I 7.64 3.36 1.87 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 1.28 0.76 0.69 0.00 0.00 33 K 8.19 4.07 0.00 1.81 1.87 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.95 7.81 34 K 7.89 3.89 0.00 1.89 1.96 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.48 7.81 35 T 7.80 3.70 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 0.81 0.00 0.00 36 F 7.80 4.31 0.00 3.28 3.30 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 37 L 8.20 4.15 0.00 1.88 1.74 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.29 3.93 0.00 2.18 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 2.29 2.32 0.00 39 L 8.08 3.68 0.00 1.40 0.92 0.43 0.23 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 40 A 8.13 4.18 1.57 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 0.00 0.00 41 D 8.27 4.28 0.00 2.94 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 42 Q 8.41 3.89 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 43 E 8.40 4.29 0.00 2.28 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 2.91 2.77 0.00 44 R 8.14 3.98 0.00 2.03 2.20 0.00 3.11 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 45 I 7.79 3.66 1.91 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 1.48 1.15 0.84 0.00 0.00 46 H 8.02 3.90 0.00 3.42 2.97 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 47 A 8.06 4.12 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 48 E 8.26 3.91 0.00 2.21 2.00 0.00 0.00 0.00 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 2.35 0.00 49 I 7.09 3.72 1.72 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 1.43 0.47 0.70 0.00 0.00 50 F 7.76 4.71 0.00 3.17 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 51 R 8.46 4.18 0.00 1.88 2.00 0.00 3.16 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 52 K 7.67 4.06 0.00 1.97 1.93 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.46 7.81 *54 S 8.03 4.45 0.00 4.06 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.47 0.00 2.77 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 56 Q 7.84 4.49 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 57 E 8.05 4.11 0.00 1.99 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 0.00 2.35 2.31 0.00 58 N 8.61 4.51 0.00 2.80 2.71 0.00 0.00 6.74 7.95 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 59 W 9.03 4.49 0.00 3.39 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 60 D 8.05 4.13 0.00 2.85 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 61 E 8.49 3.96 0.00 2.02 2.06 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 2.26 2.28 0.00 62 V 7.79 3.56 2.06 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 0.76 0.00 0.00 0.93 0.00 0.00 63 D 7.44 4.04 0.00 1.58 1.72 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 64 S 6.86 4.26 0.00 4.03 3.68 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 65 Y 8.07 4.36 0.00 3.01 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 66 L 8.56 4.23 0.00 1.67 1.65 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.54 4.10 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 68 G 8.40 3.77 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 0.00 0.00 0.00 69 Y 8.61 4.56 0.00 2.83 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 70 A 8.34 4.50 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 71 F 8.88 4.02 0.00 3.17 3.14 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 72 Y 6.70 4.00 0.00 2.77 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 73 E 7.96 4.43 0.00 1.82 1.75 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 1.77 2.51 0.00 74 V 8.22 3.91 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 0.96 0.00 0.00 75 F 8.68 3.80 0.00 2.95 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 76 P 0.00 4.32 0.00 1.93 1.86 0.00 2.50 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 77 D 8.55 4.54 0.00 2.66 2.60 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 78 T 8.46 4.67 4.45 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 0.00 0.00 0.00 1.37 0.00 0.00 79 S 8.48 4.20 0.00 4.08 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 0.00 80 E 8.10 4.13 0.00 2.02 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 2.41 2.32 0.00 81 I 7.71 3.74 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.12 0.94 0.00 0.00 82 L 7.86 4.20 0.00 1.70 1.83 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 83 R 7.80 4.10 0.00 2.15 1.96 0.00 3.27 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 84 R 7.69 4.14 0.00 2.00 2.01 0.00 3.19 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 85 K 8.52 4.53 0.00 1.70 1.78 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.37 7.81 86 D 7.60 4.95 0.00 2.72 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 87 L 8.01 4.30 0.00 1.54 1.68 0.67 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.50 4.56 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 1.27 0.00 0.00 89 L 8.63 3.90 0.00 1.72 1.70 0.25 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.19 3.87 0.00 1.90 1.85 0.00 1.80 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.55 7.81 91 E 8.10 4.01 0.00 2.25 2.25 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 2.55 2.39 0.00 92 V 7.63 3.68 2.18 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 0.98 0.00 0.00 1.03 0.00 0.00 93 L 8.44 4.17 0.00 1.95 1.78 0.93 1.15 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 94 D 8.44 4.45 0.00 2.90 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 95 I 7.73 3.70 2.22 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.88 0.83 0.00 0.00 96 A 8.41 4.26 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 0.00 0.00 0.00 0.00 0.00 97 I 8.38 3.81 2.01 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 1.49 1.06 0.96 0.00 0.00 98 S 8.00 4.12 0.00 3.93 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 99 V 7.86 3.53 1.50 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 0.26 0.00 0.00 0.48 0.00 0.00 100 E 8.35 4.04 0.00 2.41 2.26 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 2.50 2.54 0.00 101 K 8.18 3.99 0.00 2.03 1.88 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.75 7.81 102 D 7.83 4.59 0.00 2.90 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 0.00 103 S 8.40 3.85 0.00 4.00 3.68 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 0.00 104 I 8.12 3.75 2.10 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 1.67 0.88 1.09 0.00 0.00 105 I 7.64 3.89 2.24 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 1.45 1.18 1.01 0.00 0.00 106 L 7.60 4.28 0.00 1.65 1.47 0.81 0.94 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 0.00 107 Y 7.64 4.35 0.00 2.96 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 Y 8.27 4.30 0.00 3.24 2.96 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 0.00 109 E 8.39 4.04 0.00 2.25 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 2.41 2.57 0.00 110 L 8.05 3.94 0.00 1.73 1.90 0.86 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.16 3.95 0.00 2.06 2.05 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.52 1.55 7.81 112 D 8.25 4.58 0.00 2.94 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 0.00 113 G 7.81 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 0.00 114 L 7.07 4.37 0.00 1.83 1.70 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 115 V 9.61 4.16 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 0.76 0.00 0.00 0.93 0.00 0.00 116 N 8.28 4.51 0.00 2.80 2.91 0.00 0.00 6.99 7.63 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 0.00 117 S 8.69 4.28 0.00 4.10 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 0.00 118 D 8.95 4.25 0.00 2.92 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 0.00 119 A 8.25 4.01 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.10 3.99 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 121 K 8.12 3.97 0.00 1.85 2.02 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 122 T 8.10 3.84 4.39 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 1.15 0.00 0.00 123 V 7.99 3.62 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 1.18 0.00 0.00 1.12 0.00 0.00 124 K 8.25 3.85 0.00 1.89 1.94 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 125 K 7.95 3.80 0.00 1.97 1.88 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.47 7.81 126 I 7.27 3.39 1.72 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.22 0.20 0.00 0.00 127 I 7.70 3.57 1.83 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.64 0.34 0.00 0.00 128 D 8.16 4.38 0.00 2.84 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 0.00 129 Q 8.15 4.03 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 130 E 8.50 3.88 0.00 2.15 2.33 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 2.43 2.55 0.00 131 K 8.42 4.18 0.00 2.00 1.91 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.71 7.81 132 E 8.23 4.08 0.00 2.24 2.03 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 2.52 2.51 0.00 133 H 8.22 4.16 0.00 3.49 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.04 4.02 0.00 1.87 1.94 1.00 0.79 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 0.00 135 R 7.99 3.89 0.00 2.05 2.12 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 136 K 7.80 3.89 0.00 1.83 1.96 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.39 7.81 137 L 8.02 4.14 0.00 1.88 1.82 1.19 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.24 4.24 0.00 1.84 1.73 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.19 4.17 0.00 2.09 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 2.36 2.29 0.00 *141 K 7.86 4.16 0.00 1.91 2.03 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.46 7.81 142 R 8.10 4.03 0.00 2.02 2.08 0.00 3.30 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 143 E 8.25 4.20 0.00 2.07 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 2.30 2.33 0.00 144 S 7.85 4.80 0.00 3.92 3.89 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 0.00 0.00 0.00 0.00 145 T 7.66 4.21 4.40 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 1.25 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.