NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.5002 8.4029 118.6735 56.4000 31.7869 174.8399 4 K 5.0050 8.8118 128.2109 51.6717 35.6305 170.2192 5 Y 4.4855 9.7646 126.5977 55.4868 40.8644 174.3496 6 I 4.0116 7.9299 128.4633 60.9294 38.0876 175.8370 7 V 4.2211 7.9838 127.6567 61.1658 33.1315 175.4698 8 T 4.2075 8.2047 118.3721 60.2628 70.4775 175.8063 9 W 4.3045 8.7159 121.7618 60.1121 28.9976 178.4047 10 D 4.4367 8.2862 118.2111 57.8123 40.3681 178.7101 11 M 3.9970 7.7520 118.2115 58.2296 31.8897 178.5016 12 L 4.0633 8.0128 120.5564 58.3161 42.2162 178.8855 13 Q 4.0205 8.2306 119.4789 59.1838 29.0761 178.2117 14 I 3.6972 7.6415 120.8681 64.7295 37.1227 178.1853 15 H 4.2608 8.1757 116.8441 58.7272 28.4944 177.7459 16 A 3.9853 8.2636 122.8037 55.2589 18.0665 179.9648 17 R 3.9164 8.2492 116.6666 59.2026 29.8619 179.4532 18 K 3.9967 7.7346 117.3449 59.1860 32.1766 178.8777 19 L 4.0231 7.9510 120.5649 58.0422 41.9076 178.8535 20 A 4.0292 8.1887 121.0243 55.0481 17.8583 179.7409 21 S 4.1012 7.9065 113.0512 61.6481 62.8270 176.7883 22 R 4.1748 7.6810 120.1711 57.9966 30.0244 177.8179 23 L 4.5589 7.3317 116.9472 54.5986 42.3309 176.9526 24 M 4.3405 7.1380 118.6657 54.2996 32.5240 174.5677 25 P 4.5857 0.0000 0.0000 62.5403 32.6685 176.3060 26 S 4.7811 8.3817 111.7477 59.2241 63.6996 175.9462 27 E 4.0515 7.9942 120.3642 58.7793 29.3326 177.5534 28 Q 3.8813 7.6132 114.9021 56.4420 29.2073 175.5056 29 W 5.0732 7.5294 121.9019 55.7369 30.7776 176.9476 30 K 3.9925 9.0289 124.8800 55.0930 31.8441 174.0949 31 G 3.8413 6.1099 102.2104 46.9080 0.0000 171.2765 32 I 5.2100 8.2007 119.7858 59.4224 41.1098 175.3523 33 I 4.8455 9.0334 126.9201 59.5635 39.6332 174.4776 34 A 4.8471 9.0786 130.3025 50.9049 20.8813 176.4405 35 V 4.2034 8.4384 122.2504 61.5490 32.3211 175.2812 36 S 4.4566 8.4711 123.6861 58.6904 62.5674 174.2189 37 R 4.3598 8.7056 124.1295 56.4520 31.5008 178.5760 38 G 3.6630 7.6910 106.1402 47.7858 0.0000 174.5631 39 G 3.8714 8.6074 107.3348 45.7862 0.0000 175.5326 40 L 3.8636 7.6910 121.0489 57.7312 41.6216 179.5541 41 V 3.6000 7.3001 117.5090 65.6730 31.6769 176.1226 42 P 4.4627 0.0000 0.0000 65.5092 31.1421 178.8597 43 G 3.5535 8.3371 104.5393 47.6546 0.0000 175.6912 44 A 4.0233 7.9985 123.1816 54.8923 18.3636 179.7874 45 L 4.0034 8.0701 117.6099 57.8620 41.6322 179.7338 46 L 3.9512 7.9773 118.8105 57.7094 41.6550 179.2910 47 A 3.9104 8.1523 120.8179 55.0909 18.0963 179.7915 48 R 3.8310 7.9027 116.7387 59.6938 30.0340 178.6420 49 E 3.9346 8.1075 117.1348 59.1344 29.5738 178.7170 50 L 4.3808 8.6260 117.5240 54.7755 41.9934 177.8336 51 G 3.8912 7.4580 106.1515 45.8820 0.0000 173.3382 52 I 4.1329 7.4756 119.9811 60.5914 37.7895 176.1725 53 R 4.3664 8.4472 122.4462 57.0892 32.0455 175.8052 54 H 4.5352 8.0251 117.9927 55.2973 29.7031 172.9702 55 V 4.8360 8.1775 123.8099 60.8737 33.7551 173.5611 56 D 5.2495 9.6014 127.2822 52.5959 45.0990 173.8178 57 T 5.3365 8.2955 109.0509 59.8814 72.7116 173.8414 58 V 4.5031 8.5502 121.1139 60.4524 34.5717 174.1496 59 C 4.8492 9.4043 124.7870 58.1483 29.7909 172.9687 60 I 4.8863 8.5141 127.3195 60.1424 39.5883 175.8101 61 S 4.7995 9.3505 128.8136 58.0011 64.0148 170.7149 62 S 5.2533 8.7630 125.3607 57.2686 65.3488 171.4109 *63 Y 4.4659 8.0225 120.8950 56.6912 40.5340 174.6492 64 D 4.6828 8.7015 126.3232 53.3890 41.8010 177.0219 65 H 4.8793 9.0463 122.4467 54.1583 30.3458 176.5923 66 D 4.5249 8.9460 127.8426 55.1950 38.5372 174.6039 67 N 4.8088 9.4278 123.2500 53.1067 38.9493 174.8932 68 Q 4.6426 7.9116 120.1785 54.2961 31.8780 173.5397 69 R 4.9462 8.3565 123.2151 54.5719 32.0454 174.6643 70 E 4.5983 8.7368 126.5824 54.5816 31.6502 174.3713 71 L 4.9318 8.6342 129.5503 54.0238 43.9104 177.2663 72 K 4.4807 8.6536 125.8376 53.7083 35.9163 174.2036 73 V 4.3307 8.4570 126.7463 61.3873 31.2475 175.7148 74 L 4.2766 8.7971 129.7521 57.5803 42.3596 177.7012 75 K 4.6889 7.7209 117.1641 55.4299 35.4514 174.5795 76 R 5.1036 8.3916 121.1021 54.3749 32.5723 174.5281 77 A 4.3158 8.7657 125.4832 52.4148 19.1503 178.2188 78 E 4.0579 8.6109 116.2726 56.6247 30.7137 178.1919 79 G 3.9202 8.7715 107.1271 45.0209 0.0000 173.2561 80 D 4.7732 8.6462 117.7212 52.8516 39.8356 177.2837 81 G 3.7989 8.3449 106.8814 46.2585 0.0000 172.9387 82 E 4.2464 8.1620 120.9034 57.4543 29.7186 177.2050 83 G 4.0483 9.3284 114.2714 45.6232 0.0000 171.9294 84 F 5.1701 8.4788 118.2123 55.7274 42.5556 174.7782 85 I 4.3675 8.3091 121.6182 59.7262 39.1194 175.0035 86 V 4.6597 8.4348 128.5770 61.6554 32.9856 174.5223 87 I 5.3440 8.5626 127.7453 58.2170 41.3988 173.4596 88 D 5.2621 8.2108 126.6132 52.3550 44.6057 175.7036 89 D 4.7162 8.8735 121.3606 56.2421 40.7432 175.7792 90 L 5.1169 7.5227 115.8761 55.4366 43.7805 175.0458 91 V 3.9527 8.1894 111.8749 60.2967 34.2032 174.7362 92 D 4.5478 9.1679 126.9726 54.8042 41.9761 176.6932 93 T 4.1096 7.8293 113.8812 62.1571 70.3981 176.3834 94 G 3.9775 8.3621 110.1057 45.3524 0.0000 175.1432 95 G 3.5755 8.0037 108.0994 48.1559 0.0000 176.4836 96 T 3.9332 7.8926 117.9431 65.9209 68.4688 176.4621 97 A 3.6333 8.0309 122.3236 55.1854 18.3552 179.6184 98 V 3.4160 7.7017 116.3062 66.0760 31.4512 178.0717 99 A 3.9324 7.5777 119.4843 55.2074 18.1496 179.7384 100 I 3.6254 7.8895 118.6194 64.5206 37.0871 178.6791 101 R 3.8797 8.1608 122.2495 59.9163 29.5387 179.0397 102 E 4.0857 7.6811 117.2739 61.0867 29.8202 182.2155 103 M 4.2425 7.3937 118.4392 56.7926 33.3026 176.4301 104 Y 4.8171 7.9712 116.9103 55.2457 38.4336 174.0348 105 P 4.4089 0.0000 0.0000 64.3457 32.1311 178.3859 106 K 4.3847 7.9309 115.9170 56.2089 32.3376 176.1413 107 A 4.7920 7.5545 121.3532 51.3934 20.5030 177.4088 108 H 4.8060 8.9094 120.7317 55.1629 30.8263 173.8467 109 F 5.1948 9.5604 130.4418 57.5897 40.5403 174.9114 110 V 4.8579 8.3343 118.9449 59.9200 36.4425 174.3621 111 T 5.4797 8.0341 110.7914 60.3999 72.5501 174.7051 112 I 3.7045 8.3743 121.1045 63.2513 38.6226 176.1774 113 F 5.4192 8.0804 119.5842 55.8464 42.3762 175.0246 114 A 4.6292 8.6176 122.7972 50.8175 22.4795 176.0530 115 K 5.1972 8.5960 122.4739 54.4407 33.6248 176.4866 116 P 4.0819 0.0000 0.0000 65.9610 31.5269 177.7624 117 A 4.0729 8.4586 119.5445 55.0519 18.4054 178.6344 118 G 3.9118 7.8334 102.0749 45.7243 0.0000 175.3115 119 R 3.6475 7.7600 120.6330 58.8546 29.7153 175.9384 120 P 4.3696 0.0000 0.0000 63.7111 31.7414 177.2982 121 L 4.3325 7.8250 117.1395 54.7464 42.3351 176.8280 122 V 4.6381 6.6734 111.9248 59.8898 33.1958 175.9635 123 D 4.6173 9.0244 123.6660 57.2666 41.6180 176.3292 124 D 4.7003 7.7285 114.7219 53.7009 44.5279 174.0986 125 Y 5.8464 8.2216 121.6031 55.9463 41.1285 173.9556 126 V 3.9735 8.5168 116.7916 63.6003 33.9114 175.7169 127 V 4.4626 8.1704 120.3298 60.9781 34.3100 174.0914 128 D 5.2792 8.8370 127.5352 53.7858 41.8754 175.7583 129 I 4.4381 8.2919 124.1174 58.5683 40.6162 174.0110 130 P 4.6471 0.0000 0.0000 62.1720 32.0536 177.3656 131 Q 3.9449 8.5858 122.1173 59.2022 29.0706 177.0401 132 D 4.5998 7.9978 114.3730 54.4270 40.0911 175.7098 133 T 4.7190 7.4284 117.9385 62.3669 69.8881 174.0012 134 W 4.5577 8.9997 135.0000 56.3295 32.2793 175.0205 135 I 4.1668 7.3631 128.5736 60.6115 37.5366 175.2339 136 E 4.2417 8.8557 130.2195 54.5652 30.0983 175.6812 137 Q 3.7356 7.8809 126.2262 54.4551 29.7920 176.0045 138 P 3.6120 0.0000 0.0000 64.9786 31.1969 178.8055 139 W 4.5479 6.4977 113.1622 58.3350 28.2357 176.1550 140 D 4.7472 7.2479 118.0040 54.5958 40.9012 175.3414 141 M 4.7561 7.1510 118.6880 53.7674 34.9608 174.6324 142 G 3.9932 7.8642 105.2472 45.3175 0.0000 173.6404 143 V 3.9487 8.4470 121.0260 61.8464 31.1446 175.5809 144 V 4.6328 7.8770 119.3088 58.8382 35.6943 175.2648 145 F 4.1404 8.7997 123.2364 58.4751 39.5962 174.4600 146 V 4.0427 6.9733 126.2027 59.9134 33.4225 173.3470 147 P 4.1983 0.0000 0.0000 61.8872 31.7434 174.7059 148 P 4.3763 0.0000 0.0000 62.5598 31.8331 177.8330 149 I 3.6917 8.2300 121.7307 63.4909 37.3230 176.2977 150 S 4.7686 7.5024 113.3627 56.5767 65.9201 173.7808 151 G 4.1399 8.4398 110.9540 45.8376 0.0000 174.3897 152 R 4.1256 8.0476 123.0599 56.1056 29.4619 178.6805 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 E 8.40 4.50 0.00 1.68 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 2.21 1.90 0.00 4 K 8.81 5.00 0.00 1.57 1.56 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.23 1.07 7.81 5 Y 9.76 4.49 0.00 2.90 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 6 I 7.93 4.01 1.67 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.82 0.76 0.00 0.00 7 V 7.98 4.22 1.89 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 0.92 0.00 0.00 0.79 0.00 0.00 8 T 8.20 4.21 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 1.15 0.00 0.00 9 W 8.72 4.30 0.00 3.42 3.26 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 10 D 8.29 4.44 0.00 2.73 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 11 M 7.75 4.00 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 12 L 8.01 4.06 0.00 1.82 1.96 1.08 1.09 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 13 Q 8.23 4.02 0.00 2.41 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 14 I 7.64 3.70 1.90 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 1.51 0.96 0.88 0.00 0.00 15 H 8.18 4.26 0.00 3.24 3.14 0.00 5.62 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 16 A 8.26 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.25 3.92 0.00 2.00 1.99 0.00 3.14 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 18 K 7.73 4.00 0.00 1.89 1.83 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.44 7.81 19 L 7.95 4.02 0.00 1.79 1.79 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.19 4.03 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 21 S 7.91 4.10 0.00 4.01 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 22 R 7.68 4.17 0.00 1.88 2.05 0.00 3.19 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 23 L 7.33 4.56 0.00 1.73 1.81 0.71 0.81 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 24 M 7.14 4.34 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.87 0.00 25 P 0.00 4.59 0.00 2.33 2.03 0.00 3.68 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 1.86 1.88 0.00 26 S 8.38 4.78 0.00 4.14 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 0.00 27 E 7.99 4.05 0.00 1.88 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 2.28 2.33 0.00 28 Q 7.61 3.88 0.00 1.50 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 1.77 1.16 0.00 29 W 7.53 5.07 0.00 3.35 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 30 K 9.03 3.99 0.00 1.72 1.72 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.25 7.81 31 G 6.11 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 32 I 8.20 5.21 1.87 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 0.80 0.87 0.00 0.00 33 I 9.03 4.85 1.63 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 0.94 0.99 0.62 0.00 0.00 34 A 9.08 4.85 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 35 V 8.44 4.20 2.30 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 0.91 0.00 0.00 1.12 0.00 0.00 36 S 8.47 4.46 0.00 3.93 3.74 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 37 R 8.71 4.36 0.00 1.79 1.75 0.00 3.15 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 1.58 1.57 0.00 38 G 7.69 3.66 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 0.00 0.00 0.00 39 G 8.61 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 40 L 7.69 3.86 0.00 1.58 1.61 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.30 3.60 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 1.53 0.00 0.00 1.01 0.00 0.00 42 P 0.00 4.46 0.00 2.21 2.12 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 43 G 8.34 3.55 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 0.00 0.00 0.00 44 A 8.00 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 4.00 0.00 1.92 1.76 1.05 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.98 3.95 0.00 1.82 1.63 0.79 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.15 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 3.83 0.00 2.00 2.10 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 49 E 8.11 3.93 0.00 1.98 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 2.59 2.49 0.00 50 L 8.63 4.38 0.00 1.65 1.77 0.84 1.29 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 51 G 7.46 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 0.00 0.00 0.00 52 I 7.48 4.13 1.86 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 1.33 0.60 0.93 0.00 0.00 53 R 8.45 4.37 0.00 1.79 1.96 0.00 3.21 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 54 H 8.03 4.54 0.00 3.27 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.18 4.84 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 0.85 0.00 0.00 0.95 0.00 0.00 56 D 9.60 5.25 0.00 2.77 2.47 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 0.00 57 T 8.30 5.34 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 1.20 0.00 0.00 58 V 8.55 4.50 2.21 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 0.85 0.00 0.00 1.08 0.00 0.00 59 C 9.40 4.85 0.00 2.85 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 60 I 8.51 4.89 1.89 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 1.21 0.64 0.92 0.00 0.00 61 S 9.35 4.80 0.00 3.37 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 62 S 8.76 5.25 0.00 3.37 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 *63 Y 8.02 4.47 0.00 1.98 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 0.00 0.00 0.00 0.00 64 D 8.70 4.68 0.00 2.55 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 65 H 9.05 4.88 0.00 3.13 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.95 4.52 0.00 2.86 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 9.43 4.81 0.00 2.81 2.91 0.00 0.00 5.64 7.39 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 68 Q 7.91 4.64 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 69 R 8.36 4.95 0.00 1.81 1.76 0.00 3.29 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 70 E 8.74 4.60 0.00 2.10 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 2.21 2.27 0.00 71 L 8.63 4.93 0.00 1.55 1.55 0.90 0.84 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 72 K 8.65 4.48 0.00 1.40 1.62 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.71 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.25 7.81 73 V 8.46 4.33 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 1.00 0.00 0.00 0.91 0.00 0.00 74 L 8.80 4.28 0.00 1.69 1.71 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.72 4.69 0.00 1.76 1.59 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.36 7.81 76 R 8.39 5.10 0.00 1.87 1.84 0.00 3.00 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 77 A 8.77 4.32 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 78 E 8.61 4.06 0.00 2.00 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 2.23 1.87 0.00 79 G 8.77 3.92 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 0.00 0.00 0.00 80 D 8.65 4.77 0.00 2.94 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 81 G 8.34 3.80 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 0.00 0.00 0.00 82 E 8.16 4.25 0.00 2.18 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 2.41 2.34 0.00 83 G 9.33 4.05 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 0.00 0.00 0.00 84 F 8.48 5.17 0.00 3.10 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 85 I 8.31 4.37 1.54 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.58 0.00 0.00 86 V 8.43 4.66 2.34 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 1.20 0.00 0.00 0.79 0.00 0.00 87 I 8.56 5.34 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.98 0.90 0.00 0.00 88 D 8.21 5.26 0.00 2.85 2.46 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 89 D 8.87 4.72 0.00 3.12 3.44 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 90 L 7.52 5.12 0.00 1.63 1.82 0.82 0.44 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 91 V 8.19 3.95 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 0.83 0.00 0.00 0.91 0.00 0.00 92 D 9.17 4.55 0.00 2.58 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 93 T 7.83 4.11 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 1.23 0.00 0.00 94 G 8.36 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 0.00 0.00 0.00 95 G 8.00 3.58 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 0.00 0.00 0.00 96 T 7.89 3.93 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 1.25 0.00 0.00 97 A 8.03 3.63 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 98 V 7.70 3.42 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 0.96 0.00 0.00 0.94 0.00 0.00 99 A 7.58 3.93 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 0.00 100 I 7.89 3.63 1.57 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 1.58 0.93 0.89 0.00 0.00 101 R 8.16 3.88 0.00 1.79 1.95 0.00 3.15 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 102 E 7.68 4.09 0.00 2.09 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 2.22 0.00 103 M 7.39 4.24 0.00 1.14 1.76 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.36 0.00 104 Y 7.97 4.82 0.00 2.93 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 0.00 105 P 0.00 4.41 0.00 2.19 2.18 0.00 3.47 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 106 K 7.93 4.38 0.00 2.07 1.98 0.00 2.08 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.43 7.81 107 A 7.55 4.79 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 0.00 108 H 8.91 4.81 0.00 3.58 3.14 0.00 5.77 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.56 5.19 0.00 3.12 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 0.00 110 V 8.33 4.86 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 0.73 0.00 0.00 0.74 0.00 0.00 111 T 8.03 5.48 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 0.87 0.00 0.00 112 I 8.37 3.70 1.63 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 0.06 0.00 0.00 113 F 8.08 5.42 0.00 2.89 2.79 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 0.00 114 A 8.62 4.63 0.48 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 0.00 115 K 8.60 5.20 0.00 1.93 1.80 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.15 7.81 116 P 0.00 4.08 0.00 2.11 2.12 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 117 A 8.46 4.07 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 0.00 118 G 7.83 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 0.00 119 R 7.76 3.65 0.00 1.87 1.98 0.00 3.13 0.00 0.00 3.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 120 P 0.00 4.37 0.00 2.07 2.09 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 121 L 7.82 4.33 0.00 1.85 1.77 0.95 0.94 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 0.00 122 V 6.67 4.64 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 0.71 0.00 0.00 0.99 0.00 0.00 123 D 9.02 4.62 0.00 2.50 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 0.00 124 D 7.73 4.70 0.00 2.69 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.22 5.85 0.00 2.87 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 0.00 126 V 8.52 3.97 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 0.67 0.00 0.00 0.85 0.00 0.00 127 V 8.17 4.46 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 0.96 0.00 0.00 0.56 0.00 0.00 128 D 8.84 5.28 0.00 2.66 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 0.00 129 I 8.29 4.44 1.72 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 1.17 0.95 0.65 0.00 0.00 130 P 0.00 4.65 0.00 2.15 1.94 0.00 3.48 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 2.08 2.03 0.00 131 Q 8.59 3.94 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 132 D 8.00 4.60 0.00 2.83 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 0.00 133 T 7.43 4.72 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 1.30 0.00 0.00 134 W 9.00 4.56 0.00 3.43 2.94 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 0.00 135 I 7.36 4.17 1.24 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.25 0.12 0.00 0.00 136 E 8.86 4.24 0.00 2.09 1.73 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 2.19 2.21 0.00 137 Q 7.88 3.74 0.00 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.39 6.68 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 138 P 0.00 3.61 0.00 0.49 0.49 0.00 2.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.63 0.00 139 W 6.50 4.55 0.00 3.47 3.52 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 0.00 140 D 7.25 4.75 0.00 2.65 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 0.00 141 M 7.15 4.76 0.00 1.93 1.86 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 2.55 2.37 0.00 142 G 7.86 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 0.00 143 V 8.45 3.95 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 0.87 0.00 0.00 0.99 0.00 0.00 144 V 7.88 4.63 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 0.82 0.00 0.00 0.96 0.00 0.00 145 F 8.80 4.14 0.00 2.98 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 0.00 146 V 6.97 4.04 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 0.76 0.00 0.00 0.87 0.00 0.00 147 P 0.00 4.20 0.00 2.06 2.06 0.00 3.64 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 2.09 2.35 0.00 148 P 0.00 4.38 0.00 2.37 1.96 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 149 I 8.23 3.69 1.85 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 1.44 0.43 0.90 0.00 0.00 150 S 7.50 4.77 0.00 3.79 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 0.00 151 G 8.44 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 0.00 152 R 8.05 4.13 0.00 1.84 1.71 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.