NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2256 8.1749 110.9405 61.4200 70.1625 174.4570 3 I 3.7777 8.4342 126.5163 59.8034 37.7588 174.1751 4 R 4.7461 8.2872 125.7185 55.8763 31.9442 175.9106 5 S 4.7805 9.3073 116.5839 57.5538 67.0926 172.9189 6 A 5.1390 8.3707 121.2690 50.4346 22.1884 175.0491 7 E 4.6721 9.3567 123.2441 54.7215 32.5230 174.3380 8 H 5.4370 8.9681 123.3396 54.6278 31.1687 173.8337 9 A 4.7873 8.7907 121.7891 51.2835 23.3556 175.3266 10 T 5.0512 8.4287 115.0271 61.9566 71.6188 173.5311 11 L 4.8216 9.0517 127.2855 53.0194 44.2372 175.8026 12 V 4.8926 8.4691 122.4563 61.1731 34.2156 174.4531 13 I 4.6599 9.1091 128.4950 59.3866 40.5083 173.9884 14 E 4.9324 8.9345 127.0606 54.5336 31.4791 174.9411 15 R 4.8135 8.6812 125.4559 54.6719 33.3030 174.7629 16 H 5.1062 8.9073 119.4015 54.0414 31.1433 173.5389 17 L 4.7658 8.9360 123.0171 52.1278 44.7059 177.2772 18 K 4.5475 8.2151 122.8001 55.1626 31.2653 176.4381 19 A 4.7264 7.2108 121.4967 48.8514 23.0245 174.4898 20 P 4.4757 0.0000 0.0000 62.3351 33.6365 177.5023 21 I 3.9599 8.5804 119.8845 63.8101 37.9303 178.0409 22 A 4.5349 7.9214 122.4984 54.6793 18.1967 179.4692 23 R 3.9207 7.9584 116.8647 59.3577 30.0565 178.6730 24 V 3.7208 7.7677 117.2405 66.1639 31.8884 177.5097 25 F 3.7576 8.5987 120.7392 61.1107 39.2022 177.0043 26 R 4.0700 8.6908 119.5979 58.7410 29.6465 178.1976 27 A 4.2187 7.8669 119.0938 54.0491 18.3825 178.6572 28 W 4.4444 8.0559 116.7604 58.2581 30.0200 178.2329 29 S 2.7900 7.4169 112.9346 57.8096 62.7821 173.2681 30 A 4.5239 7.2825 126.3358 49.9768 19.4819 175.4669 31 P 4.2659 0.0000 0.0000 66.6111 31.1857 178.6018 32 E 4.0052 8.0803 114.8957 58.6191 29.6138 178.8589 33 A 4.0189 7.6857 120.8592 54.9714 18.7441 179.3909 34 K 3.0692 8.0635 118.5741 59.1117 32.1245 178.7178 35 R 2.8400 7.6543 119.0744 59.4238 29.6359 178.5010 36 Q 3.9198 7.3618 116.5280 57.8265 28.7342 177.8133 37 W 4.5854 7.2716 115.3103 57.0142 29.5334 177.0741 38 F 4.0792 7.3688 120.0331 57.8008 40.3516 175.7014 39 A 4.2573 6.9513 121.5464 50.4041 18.2631 175.0297 40 C 4.8186 6.9833 115.0406 56.9268 33.3575 173.6806 41 H 4.5039 8.5917 116.2325 55.2019 33.6742 174.0332 42 G 3.9023 8.4106 111.8679 45.4988 0.0000 174.5245 43 E 4.1823 8.6519 123.4368 58.1164 30.6934 177.7025 44 W 4.6189 7.3492 118.6831 55.8525 30.1589 175.5389 45 Q 4.3964 8.7304 121.8237 55.0634 29.3277 174.6990 46 A 4.3806 8.6613 129.7202 52.3283 18.4322 176.2939 47 L 4.4808 8.8860 123.4155 56.5853 43.4142 177.0498 48 D 4.6414 7.6453 115.2154 53.4596 44.5309 173.5599 49 Y 5.1070 8.4485 125.4801 56.1556 42.1261 174.1208 50 G 3.8908 7.3494 110.8590 45.0953 0.0000 171.7253 51 L 4.8349 7.9744 122.9447 53.3597 45.5719 175.0944 52 D 4.6068 9.0965 126.8636 52.5554 42.3153 173.8969 53 F 3.9365 8.5148 127.9118 56.0081 38.1827 174.5043 54 R 4.3978 7.1304 120.3077 53.2805 32.2064 173.4922 55 P 4.3751 0.0000 0.0000 64.3362 31.5916 177.2527 56 G 3.8971 9.2507 112.2330 45.0459 0.0000 173.8004 57 G 4.2291 7.9377 107.4588 45.7104 0.0000 172.8793 58 T 5.3817 8.3287 115.7892 61.6160 72.4260 172.9516 59 E 5.1961 9.1884 124.1959 54.5993 33.7328 174.4108 60 R 5.2284 8.7834 121.2154 54.7906 33.6643 174.0005 61 N 5.2057 9.4930 120.1887 53.1426 41.9822 172.2952 62 Y 5.5930 9.0807 125.2711 56.4950 40.7924 175.6738 63 V 5.0983 8.9655 115.7690 59.7106 36.9259 173.8666 64 A 5.0194 8.8297 125.3647 50.0194 21.8388 176.5357 65 D 3.3700 8.1487 122.9077 51.6981 40.5236 177.2977 66 T 4.0221 7.9992 108.2743 63.7356 68.7944 174.6601 67 D 4.4904 8.0842 120.9760 54.1872 41.0898 177.1231 68 G 3.7703 8.4926 107.9700 45.1412 0.0000 173.3046 69 L 4.0871 8.1515 123.7230 54.1709 43.3048 175.7395 70 L 4.4505 8.4749 129.1284 55.3428 43.6429 174.8595 71 H 5.3398 9.8065 124.3550 54.2481 30.7382 173.3301 72 A 5.2811 8.8793 126.1795 50.2421 21.0367 174.4649 73 Y 5.1439 9.4754 124.6785 56.2020 41.3125 174.2441 74 D 5.3259 8.8902 125.3071 52.5800 45.1688 174.4478 75 A 5.1383 9.1513 124.3978 50.2812 23.1968 174.3418 76 H 5.2318 9.3385 119.5717 54.5005 32.9778 172.3716 77 Y 4.3131 9.4450 124.8979 58.3524 38.5456 175.9529 78 I 4.2684 8.9629 123.6179 62.3955 39.9141 175.7792 79 D 4.8434 7.9449 120.2762 52.5505 44.7507 174.1013 80 I 5.1243 8.4252 125.3165 59.8137 40.9384 174.6109 81 V 4.3086 9.1566 128.1791 60.1443 33.5901 173.2166 82 P 3.6450 0.0000 0.0000 64.3330 31.7976 176.4330 83 N 3.8334 5.7700 117.3111 53.5794 36.3500 174.9049 84 A 4.7765 6.9582 118.9478 53.3826 24.1646 177.0398 85 R 5.3670 8.5113 113.7777 55.5621 34.4181 173.9792 86 I 5.3193 9.1627 125.8268 59.7249 41.2946 174.2870 87 I 5.0348 9.2832 127.7061 59.5971 40.4528 174.2263 88 Y 5.1572 8.2159 123.6005 55.3612 41.9161 173.7814 89 A 5.2591 8.9041 122.6985 50.9897 21.6396 175.6337 90 Y 5.2678 8.9496 118.0735 55.9147 42.2311 173.7782 91 E 4.8604 8.7247 118.3589 53.9677 33.1990 174.6167 *93 K 4.4350 8.5120 116.4604 56.8175 34.4621 175.2230 94 L 4.8726 8.4964 123.0508 53.7460 44.2724 177.0917 95 G 3.7258 8.4698 115.5874 47.2140 0.0000 174.0698 96 E 4.3202 8.9008 123.9595 55.9997 29.8148 175.2346 97 T 4.3143 7.6994 118.0637 61.5952 69.1666 174.2025 98 R 4.1672 8.5596 128.1313 56.3627 30.5929 175.7183 99 I 4.3716 8.1303 118.4806 61.7432 39.6585 175.1708 100 S 5.5395 7.7763 115.0651 58.0980 66.0936 173.3250 101 A 4.7563 8.1215 121.3552 50.5106 22.6541 175.1131 102 S 4.8340 8.7564 115.0621 56.8188 68.2157 172.7531 103 L 4.8656 8.7807 124.9513 53.7239 44.1039 175.0807 104 T 4.7312 8.6244 123.3155 61.8382 71.5021 173.2031 105 T 4.7079 8.5256 122.9844 61.5770 71.4779 173.2281 106 V 4.4486 8.9483 126.8813 61.0337 33.5844 173.8772 107 A 5.1794 8.6431 130.6718 50.2709 20.8728 175.7432 108 F 5.0134 9.2598 120.4986 55.6286 42.3044 174.6205 109 E 4.7535 9.3153 123.3819 54.1973 32.9294 174.6407 110 A 4.5638 8.8435 130.2319 52.2719 19.3335 175.9254 111 E 4.7877 8.9084 118.5893 53.4854 33.1169 173.1321 112 P 4.3384 0.0000 0.0000 64.1234 31.5431 176.7987 113 G 4.0238 8.9095 110.4131 44.7422 0.0000 175.1014 114 G 4.1840 6.7429 107.0081 45.9627 0.0000 172.4108 115 T 5.0355 8.3556 119.3220 61.8529 72.7624 174.3346 116 K 4.1575 9.0219 128.1367 55.0687 35.3559 174.8188 *118 V 4.1596 8.0324 119.4896 62.7692 32.8850 173.8722 119 F 5.1007 9.3524 131.4013 56.9722 41.4498 174.0388 120 T 5.0063 8.6773 124.3847 61.7251 70.9359 173.0663 121 E 4.8961 9.2749 128.2014 54.4764 32.3512 174.4747 122 Q 4.9787 9.0882 127.5364 54.5388 30.3480 175.1465 123 V 4.8174 8.9315 124.5129 59.4753 35.3253 174.9167 124 V 4.5498 8.3519 121.6965 59.9706 34.0331 174.2897 125 F 5.3014 9.1941 124.3522 56.0555 41.2115 174.7376 126 L 5.0601 8.9150 122.6109 53.4927 44.6353 176.3846 127 D 4.2956 10.0244 121.7566 55.5009 38.8106 175.1640 128 G 3.9657 7.9016 106.2958 45.0638 0.0000 174.0529 129 Y 3.9611 7.7963 121.0862 57.7453 39.0960 175.0603 130 A 4.2094 7.4422 129.8309 50.1775 20.5358 175.7149 131 D 3.8134 7.9556 122.7741 57.5805 41.8525 177.2292 132 N 4.1683 8.8957 113.5141 54.2276 36.2610 175.2208 133 G 3.9573 8.2123 105.3611 45.4930 0.0000 175.1700 134 A 4.0318 8.1741 122.1758 55.1941 18.3103 179.7036 135 R 4.0081 8.8422 117.5187 59.6268 30.2895 178.3499 136 L 4.0211 8.0629 119.6090 58.4660 42.1423 178.8517 137 Q 4.1138 8.3505 118.0555 58.8523 28.7530 178.9319 138 G 3.6713 8.6880 107.2612 48.1372 0.0000 175.9193 139 T 3.9462 8.2463 118.3468 66.4802 68.4343 176.6938 140 E 3.9916 8.4181 120.5671 59.2016 29.4307 179.4220 141 I 3.7815 7.9406 120.2059 64.1971 37.0784 178.4925 142 G 3.8842 7.9947 106.2098 48.1786 0.0000 175.7747 143 L 3.8506 7.9617 121.7753 57.1136 41.5475 179.2777 144 D 4.3216 8.5546 119.5095 57.6171 40.7673 178.6915 145 N 4.4274 8.2857 116.8663 55.8685 38.4719 177.1661 146 L 2.9883 7.9540 122.2392 57.8415 41.9441 178.6590 147 E 3.8426 8.1560 119.2122 59.3188 29.5613 178.8077 148 L 3.9557 7.9286 118.9408 57.6347 41.5595 178.9782 149 F 4.1052 8.6053 121.0726 61.6601 39.0518 177.3488 150 L 3.8440 7.9476 116.9583 57.6560 41.7904 179.0640 151 E 4.0753 8.0897 118.7796 59.2683 29.1610 179.4487 152 R 4.0312 7.7433 117.3169 58.8085 30.1171 178.5262 153 E 3.7977 7.2798 118.2879 57.5617 29.4725 176.7600 154 E 4.0658 7.5369 120.7653 56.6616 29.9770 174.0876 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 T 8.17 4.23 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 1.21 0.00 0.00 3 I 8.43 3.78 1.88 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 1.42 0.66 0.92 0.00 0.00 4 R 8.29 4.75 0.00 1.70 1.87 0.00 3.44 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 5 S 9.31 4.78 0.00 3.88 3.94 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 6 A 8.37 5.14 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 7 E 9.36 4.67 0.00 2.09 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 2.34 2.33 0.00 8 H 8.97 5.44 0.00 3.05 3.20 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 9 A 8.79 4.79 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.43 5.05 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 11 L 9.05 4.82 0.00 1.78 1.70 1.08 0.92 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 12 V 8.47 4.89 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 0.86 0.00 0.00 0.96 0.00 0.00 13 I 9.11 4.66 1.97 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 1.14 0.67 0.98 0.00 0.00 14 E 8.93 4.93 0.00 1.96 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 2.25 2.28 0.00 15 R 8.68 4.81 0.00 1.69 1.79 0.00 3.39 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 16 H 8.91 5.11 0.00 2.97 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.94 4.77 0.00 1.59 1.55 0.97 0.87 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 18 K 8.22 4.55 0.00 1.74 1.79 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.38 7.81 19 A 7.21 4.73 1.23 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 20 P 0.00 4.48 0.00 2.30 2.21 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 21 I 8.58 3.96 1.94 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.46 0.92 0.00 0.00 22 A 7.92 4.53 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 23 R 7.96 3.92 0.00 1.93 2.09 0.00 3.29 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 24 V 7.77 3.72 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 1.27 0.00 0.00 1.08 0.00 0.00 25 F 8.60 3.76 0.00 2.94 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 26 R 8.69 4.07 0.00 2.18 2.16 0.00 3.25 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 27 A 7.87 4.22 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 28 W 8.06 4.44 0.00 2.89 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 29 S 7.42 2.79 0.00 3.58 3.45 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 30 A 7.28 4.52 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 31 P 0.00 4.27 0.00 2.17 2.15 0.00 3.57 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 32 E 8.08 4.01 0.00 1.94 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 2.32 2.32 0.00 33 A 7.69 4.02 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 34 K 8.06 3.07 0.00 1.57 1.52 0.00 1.28 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.59 0.21 7.81 35 R 7.65 2.84 0.00 1.76 1.72 0.00 3.09 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.42 0.00 36 Q 7.36 3.92 0.00 1.97 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 37 W 7.27 4.59 0.00 3.44 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 38 F 7.37 4.08 0.00 1.51 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 0.00 0.00 0.00 39 A 6.95 4.26 0.66 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 40 C 6.98 4.82 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.59 4.50 0.00 3.01 3.27 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.41 3.90 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 0.00 0.00 0.00 43 E 8.65 4.18 0.00 2.08 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 0.00 2.30 2.29 0.00 44 W 7.35 4.62 0.00 3.16 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 45 Q 8.73 4.40 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 46 A 8.66 4.38 1.25 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 47 L 8.89 4.48 0.00 1.82 1.82 0.94 0.97 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 48 D 7.65 4.64 0.00 2.83 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 0.00 0.00 0.00 0.00 49 Y 8.45 5.11 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.35 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 51 L 7.97 4.83 0.00 1.45 1.42 0.80 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 52 D 9.10 4.61 0.00 2.74 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 53 F 8.51 3.94 0.00 2.76 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 54 R 7.13 4.40 0.00 1.91 1.89 0.00 3.00 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 55 P 0.00 4.38 0.00 2.04 2.19 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 56 G 9.25 3.90 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 0.00 0.00 0.00 57 G 7.94 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 58 T 8.33 5.38 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 59 E 9.19 5.20 0.00 2.26 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 0.00 2.41 2.33 0.00 60 R 8.78 5.23 0.00 1.22 1.81 0.00 2.51 0.00 0.00 2.97 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.01 0.00 61 N 9.49 5.21 0.00 2.99 2.71 0.00 0.00 7.10 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 62 Y 9.08 5.59 0.00 2.89 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 63 V 8.97 5.10 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 0.85 0.00 0.00 1.19 0.00 0.00 64 A 8.83 5.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.15 3.37 0.00 2.06 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 66 T 8.00 4.02 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 1.34 0.00 0.00 67 D 8.08 4.49 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.49 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 L 8.15 4.09 0.00 1.67 1.84 0.84 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.47 4.45 0.00 1.73 1.43 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 71 H 9.81 5.34 0.00 3.20 3.38 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.88 5.28 1.04 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 0.00 0.00 73 Y 9.48 5.14 0.00 3.19 3.12 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 74 D 8.89 5.33 0.00 2.73 2.54 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 75 A 9.15 5.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 9.34 5.23 0.00 3.15 3.16 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 9.45 4.31 0.00 3.00 2.83 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 78 I 8.96 4.27 2.00 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 1.18 0.83 0.93 0.00 0.00 79 D 7.94 4.84 0.00 2.75 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 80 I 8.43 5.12 1.78 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.69 1.01 0.00 0.00 81 V 9.16 4.31 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 1.02 0.00 0.00 1.00 0.00 0.00 82 P 0.00 3.64 0.00 2.05 1.87 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 83 N 5.77 3.83 0.00 2.62 2.69 0.00 0.00 6.77 7.90 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 84 A 6.96 4.78 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 85 R 8.51 5.37 0.00 1.96 1.81 0.00 3.04 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 86 I 9.16 5.32 2.05 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 1.63 1.00 1.44 0.00 0.00 87 I 9.28 5.03 1.87 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 1.20 0.82 0.88 0.00 0.00 88 Y 8.22 5.16 0.00 2.57 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 0.00 0.00 0.00 89 A 8.90 5.26 1.25 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 90 Y 8.95 5.27 0.00 2.91 2.99 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 91 E 8.72 4.86 0.00 1.95 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 2.32 2.11 0.00 *93 K 8.51 4.44 0.00 1.72 1.76 0.00 1.53 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.47 7.81 94 L 8.50 4.87 0.00 1.60 1.48 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.47 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 0.00 0.00 0.00 96 E 8.90 4.32 0.00 1.93 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 2.19 2.26 0.00 97 T 7.70 4.31 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 1.21 0.00 0.00 98 R 8.56 4.17 0.00 1.73 1.82 0.00 3.18 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 99 I 8.13 4.37 0.81 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.25 0.76 0.00 0.00 100 S 7.78 5.54 0.00 3.64 3.97 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 0.00 101 A 8.12 4.76 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 0.00 102 S 8.76 4.83 0.00 3.06 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 0.00 103 L 8.78 4.87 0.00 1.64 1.41 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.62 4.73 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 105 T 8.53 4.71 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 1.11 0.00 0.00 106 V 8.95 4.45 1.76 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 0.16 0.00 0.00 0.63 0.00 0.00 107 A 8.64 5.18 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 9.26 5.01 0.00 2.86 3.01 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 0.00 109 E 9.32 4.75 0.00 2.00 1.74 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 2.22 2.27 0.00 110 A 8.84 4.56 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 0.00 111 E 8.91 4.79 0.00 2.13 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 0.00 2.34 2.31 0.00 112 P 0.00 4.34 0.00 2.07 2.06 0.00 3.81 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 2.04 2.10 0.00 113 G 8.91 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 0.00 0.00 0.00 114 G 6.74 4.18 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 0.00 115 T 8.36 5.04 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 1.44 0.00 0.00 116 K 9.02 4.16 0.00 1.89 1.80 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.30 1.17 7.81 *118 V 8.03 4.16 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 0.87 0.00 0.00 0.90 0.00 0.00 119 F 9.35 5.10 0.00 3.06 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 0.00 120 T 8.68 5.01 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 1.18 0.00 0.00 121 E 9.27 4.90 0.00 2.26 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 2.25 2.30 0.00 122 Q 9.09 4.98 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.48 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 123 V 8.93 4.82 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 0.61 0.00 0.00 0.15 0.00 0.00 124 V 8.35 4.55 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 0.65 0.00 0.00 0.64 0.00 0.00 125 F 9.19 5.30 0.00 3.07 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.91 5.06 0.00 1.61 1.56 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 127 D 10.02 4.30 0.00 2.81 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 0.00 128 G 7.90 3.97 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 0.00 0.00 0.00 129 Y 7.80 3.96 0.00 2.98 3.10 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 0.00 0.00 0.00 130 A 7.44 4.21 1.05 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 0.00 131 D 7.96 3.81 0.00 1.58 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 0.00 0.00 0.00 0.00 132 N 8.90 4.17 0.00 2.71 2.74 0.00 0.00 7.09 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 0.00 133 G 8.21 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 0.00 134 A 8.17 4.03 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 0.00 135 R 8.84 4.01 0.00 2.43 2.23 0.00 3.86 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 136 L 8.06 4.02 0.00 1.84 1.71 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.35 4.11 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 138 G 8.69 3.67 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 0.00 0.00 0.00 139 T 8.25 3.95 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 140 E 8.42 3.99 0.00 2.11 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 2.49 2.49 0.00 141 I 7.94 3.78 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.02 0.83 0.00 0.00 142 G 7.99 3.88 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 0.00 0.00 0.00 143 L 7.96 3.85 0.00 1.79 1.68 0.82 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.55 4.32 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 N 8.29 4.43 0.00 3.12 2.99 0.00 0.00 6.69 6.30 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 0.00 146 L 7.95 2.99 0.00 0.27 1.20 -0.08 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.16 3.84 0.00 2.11 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 2.28 2.33 0.00 148 L 7.93 3.96 0.00 1.92 1.72 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 149 F 8.61 4.11 0.00 3.19 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 0.00 150 L 7.95 3.84 0.00 1.78 1.69 0.93 0.95 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 0.00 151 E 8.09 4.08 0.00 2.14 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 2.45 0.00 152 R 7.74 4.03 0.00 1.76 1.86 0.00 3.17 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 153 E 7.28 3.80 0.00 1.84 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 0.00 1.91 1.71 0.00 154 E 7.54 4.07 0.00 2.18 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 2.31 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.