NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.1566 8.4293 118.7824 55.9250 30.9866 175.1602 8 S 4.4248 7.9255 114.2284 56.8788 65.4682 173.2321 9 L 4.3477 8.4971 121.9685 58.4648 41.8227 180.8528 10 E 4.1260 8.3536 116.6519 59.5003 29.2266 178.7939 11 S 3.9334 7.6889 112.8859 61.0463 62.3816 176.2392 12 W 4.5172 8.5334 121.7697 59.7931 28.8193 178.2615 13 L 3.4794 8.4956 120.5582 58.1749 40.9724 178.5150 14 N 4.1614 8.5549 116.6407 56.5183 38.2332 177.5276 15 K 3.7063 7.4386 118.5545 59.0179 32.1984 178.9779 16 A 4.2558 8.0926 120.0330 53.7696 18.3715 177.9651 17 T 4.1714 7.7050 106.3738 60.5851 69.9023 173.1080 18 N 4.1885 7.6311 121.2813 53.7476 39.0033 173.9725 19 P 4.5380 0.0000 0.0000 64.8691 31.6940 177.4857 20 S 4.4636 9.5508 115.1402 60.2558 63.3006 174.5985 21 N 4.2754 7.8143 116.3041 53.9811 38.6894 175.1976 22 R 4.2476 8.7374 120.7600 58.1279 30.7472 175.8065 23 Q 4.8477 7.6623 113.4956 54.9590 31.1097 173.3800 24 E 4.0424 8.9839 118.2939 56.7351 30.0474 177.6999 25 D 4.8946 8.1813 123.9450 52.0896 40.3401 176.8714 26 W 4.2150 8.3596 121.8062 58.1411 29.1636 177.2298 27 E 3.8556 7.9142 119.3905 59.7698 28.9994 178.4814 28 Y 4.4834 7.5639 116.3471 60.5193 38.1138 178.1912 29 I 3.6434 7.6962 120.6263 64.5509 37.2402 178.3170 30 I 3.8428 7.7037 120.3689 64.2470 36.9346 178.7609 31 G 2.3462 7.4607 106.7157 47.1578 0.0000 175.5553 32 F 4.0585 8.0369 123.0756 61.0726 39.3796 177.0976 33 C 3.7545 7.6426 115.8345 62.9792 27.7691 175.9469 34 D 4.2407 7.6951 118.9006 56.9678 40.5585 178.4162 35 Q 4.0384 7.5916 120.1283 59.3911 29.2141 178.2642 36 I 3.5767 7.3457 120.6624 64.5996 37.2310 177.8444 37 N 4.5079 7.9526 116.0664 54.8180 38.0900 177.2495 38 K 4.0398 7.9186 120.0006 57.5232 33.5674 177.2643 39 E 4.0098 7.6495 118.5183 56.4457 29.8707 178.0937 40 L 4.0922 8.5615 124.8137 57.2798 42.6308 176.8949 41 E 4.8786 7.9113 118.1532 55.5431 30.9431 178.3885 42 G 3.6167 7.9368 108.3983 47.1512 0.0000 173.8118 43 P 4.3504 0.0000 0.0000 65.2642 31.4707 178.2611 44 Q 4.0718 8.0559 115.8697 59.5000 28.7643 179.7208 45 I 3.8508 7.8021 120.0862 64.2179 37.1555 178.3556 46 A 4.2722 8.5794 121.9866 55.4253 18.2883 180.0560 47 V 3.4190 7.8535 110.8515 64.4528 31.3799 178.9413 48 R 4.0170 7.6537 116.3425 59.3867 30.0213 179.0267 49 L 4.0749 8.0852 118.5087 57.9128 41.6182 179.6985 50 L 4.0301 8.6603 118.9924 57.7410 41.3872 179.1745 51 A 4.1353 8.5974 119.9879 55.6734 18.4758 178.9238 52 H 4.3056 8.1560 116.2817 59.4307 30.0289 177.6582 53 K 3.8785 8.0217 120.2206 59.5866 31.6588 179.4589 54 I 3.8117 8.0508 119.3248 63.8825 36.9906 177.4282 55 Q 4.3948 7.3179 116.5604 54.7997 29.1010 175.7562 56 S 4.2544 7.3790 115.8920 57.3925 62.8927 172.8365 57 P 4.2719 0.0000 0.0000 64.7727 31.5057 176.4789 58 Q 4.3150 7.9215 118.1712 54.5604 28.4067 175.7419 59 E 3.9493 9.1041 124.8544 59.4539 29.5196 178.5664 60 W 4.9275 8.3501 127.4235 60.5370 30.7399 177.4075 61 E 3.9306 8.6166 120.6461 58.5014 29.1216 178.6413 62 A 4.1247 7.8847 120.4080 54.9160 18.5113 179.3995 63 L 3.9495 8.4280 117.8877 58.2179 41.7165 179.7852 64 Q 3.5801 7.5556 117.5914 58.7362 28.4456 178.7669 65 A 3.8499 7.8321 121.7300 55.1068 18.3303 179.7410 66 L 4.0403 7.9443 117.5296 58.2449 41.7048 179.8356 67 T 3.9205 7.8838 115.8298 66.5427 68.3505 176.9583 68 V 3.4833 7.9013 120.5877 65.7986 31.2973 177.8369 69 L 4.1425 7.9484 119.3849 58.1497 42.0234 178.2520 70 E 4.3198 8.3031 118.3456 59.3292 29.9022 178.3831 71 A 4.3243 8.2474 120.8970 55.0178 18.5588 180.2008 72 C 4.1295 8.0748 116.8406 59.3207 27.6931 175.9330 *74 K 4.2336 8.0780 120.7056 55.9706 33.7103 176.6357 75 N 4.7675 8.0441 113.7323 53.2912 39.7707 175.1071 76 C 5.0534 7.6971 115.5494 57.5200 29.0484 175.3397 77 G 3.9228 7.8854 109.8538 46.0124 0.0000 173.9277 78 R 3.8422 8.3752 113.5681 59.4303 27.6360 178.7408 79 R 3.8210 7.9215 116.1376 58.7230 29.3395 178.4743 80 F 4.2014 7.7277 120.0107 61.0733 39.4409 176.8905 81 H 3.9330 7.9099 115.8666 59.1561 28.3026 177.1962 82 N 4.1687 7.9628 116.7837 56.5452 38.4276 176.9906 83 E 3.9040 7.0625 118.1242 59.2909 29.8764 179.3283 84 V 3.4249 7.1414 118.2806 65.2277 31.1282 177.4401 85 G 4.4237 7.5462 104.8787 43.3988 0.0000 173.0465 86 K 4.4496 7.2156 119.6179 53.7197 34.9031 177.5438 87 F 4.5499 8.2524 120.8837 60.7851 38.5187 177.9429 88 R 4.0151 8.1928 116.7098 59.1894 30.1162 177.8593 89 F 4.5728 7.9713 118.9177 60.6101 39.9552 177.2498 90 L 3.8940 8.3859 119.0118 58.2556 41.5042 179.3407 91 N 4.2576 8.6470 116.3299 56.4602 38.1711 177.2784 92 E 3.9641 7.8634 119.2264 59.0392 29.7881 178.8896 93 L 4.0768 7.6639 119.2381 57.3111 41.7639 179.3201 94 I 3.6227 7.5075 119.3305 64.3972 37.1387 178.3719 95 K 3.7107 7.8514 119.0249 59.2338 31.5019 179.4161 96 V 3.6831 7.4124 117.8152 64.9849 31.5440 176.9291 97 V 4.1080 7.5400 109.3080 61.3897 33.1968 175.6291 98 S 4.3601 8.4649 116.4875 57.0006 62.1537 172.8719 99 P 4.5189 0.0000 0.0000 65.3617 31.4382 177.7740 100 K 4.0827 8.2867 118.5114 59.0088 33.9306 176.8636 101 Y 4.2211 8.5412 112.9127 58.7938 36.2635 176.5285 102 L 4.4093 6.1310 134.1628 55.6853 41.6961 178.5789 103 G 3.9434 8.7198 109.8791 49.0100 0.0000 175.1819 104 D 4.3079 8.1183 115.6654 54.6944 40.8103 176.8503 105 R 4.4473 7.9302 118.5225 57.1872 32.5415 176.8914 106 V 3.7771 7.0308 115.6261 62.6939 32.2419 176.1614 107 S 4.5263 8.3195 119.2871 57.8746 65.3886 175.1693 108 E 3.9791 8.6857 122.4134 59.3349 29.1917 179.8040 109 K 3.9508 8.0096 118.2471 59.5296 32.2779 179.2203 110 V 3.5877 7.5618 118.3621 65.8267 31.4672 177.7513 111 K 3.8972 8.2290 119.6098 59.8851 32.0865 178.7288 112 T 3.8716 8.1253 110.0490 64.6024 68.5724 175.9645 113 K 3.8164 8.0032 122.4312 59.3188 32.2164 178.6793 114 V 3.5242 7.7940 118.2406 66.2125 31.4104 178.0722 115 I 3.7436 7.7760 119.3700 64.2174 36.8556 177.8202 116 E 3.9446 8.5608 120.6171 59.3880 29.3421 179.0135 117 L 3.3503 7.6751 118.5959 57.4133 41.6403 179.3909 118 L 3.6027 7.2925 118.7199 57.8533 41.3832 178.8649 119 Y 3.3180 7.7458 118.1053 60.6745 38.6966 178.0171 120 S 3.9348 7.5945 114.8768 61.4981 63.2157 176.6295 121 W 4.6107 8.1556 122.0827 59.5310 28.4484 178.8436 122 T 4.1090 7.4483 105.7678 62.6594 67.9340 174.9541 *124 A 4.3279 7.9256 126.0114 52.1023 21.0884 177.9894 125 L 4.7978 8.0922 115.1258 52.7171 41.4958 175.8147 126 P 4.2621 0.0000 0.0000 65.2221 32.1224 178.4301 127 E 4.0841 8.1322 115.5149 59.0853 29.9381 177.3959 128 E 4.2041 8.2139 120.8393 54.4266 28.1656 176.5236 129 A 4.0171 8.2797 125.1315 55.1652 18.7038 179.2762 130 K 3.8664 7.9461 116.1809 59.5497 31.9815 179.4595 131 I 3.8592 7.7485 120.3023 64.1889 37.0136 178.6096 132 K 4.0568 7.9267 118.8884 59.6082 31.7926 178.9196 133 D 4.4621 8.1376 117.6888 57.2650 40.8239 178.4648 134 A 4.2751 8.1087 120.1686 55.4581 18.3610 178.7307 135 Y 4.3341 8.2243 117.8897 61.0781 38.8278 179.0882 136 H 4.0397 8.7498 116.1398 56.2533 29.0058 177.2910 *138 L 4.1899 7.9676 122.9452 54.8213 43.7736 179.6360 139 K 4.0236 7.4051 116.7261 58.6558 32.1835 179.2372 140 R 3.2591 7.7935 117.5766 58.9410 29.9057 176.8903 141 Q 4.3246 8.0016 114.0397 55.1413 29.0105 176.3140 142 G 3.9299 8.8943 107.0399 45.8396 0.0000 175.2282 143 I 3.7448 8.0029 121.6090 63.0847 37.0893 176.4640 144 V 4.2792 7.3722 120.2377 60.8223 32.9221 175.9837 145 Q 3.9890 8.7741 127.3801 58.7897 28.9332 176.1804 146 S 4.4664 7.3209 108.7597 57.0957 65.0804 174.8219 147 D 4.1063 8.8107 121.0915 53.3351 40.7947 175.1544 148 P 4.5833 0.0000 0.0000 61.2033 32.6030 174.1267 149 P 4.6455 0.0000 0.0000 62.5204 32.2025 175.4850 150 I 4.7535 7.8424 112.0451 58.0993 40.7405 173.3431 151 P 4.3170 0.0000 0.0000 62.4464 31.7222 176.6757 152 V 3.6220 8.1889 122.0844 62.9452 32.0389 175.4897 153 D 4.4631 8.3311 126.6972 53.0000 41.8426 175.4629 154 R 4.1246 8.4771 125.8841 58.1519 30.4261 178.1040 155 T 4.1990 8.3657 108.2435 62.9597 69.2380 176.5672 156 L 4.2813 7.7684 122.3143 54.8396 41.0593 177.0719 157 I 3.5876 8.1583 125.9593 62.0075 37.7164 173.8030 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 7 E 8.43 4.16 0.00 1.73 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 0.00 1.47 1.47 0.00 8 S 7.93 4.42 0.00 4.39 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 9 L 8.50 4.35 0.00 1.87 2.10 0.96 0.64 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 10 E 8.35 4.13 0.00 2.17 2.27 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 2.38 2.34 0.00 11 S 7.69 3.93 0.00 3.82 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 12 W 8.53 4.52 0.00 3.89 3.35 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 13 L 8.50 3.48 0.00 1.15 1.47 0.01 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.55 4.16 0.00 2.80 2.77 0.00 0.00 7.11 7.32 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 15 K 7.44 3.71 0.00 1.27 0.74 0.00 1.47 0.00 0.00 1.16 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.10 1.33 7.81 16 A 8.09 4.26 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 17 T 7.70 4.17 4.04 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 1.02 0.00 0.00 18 N 7.63 4.19 0.00 2.81 2.85 0.00 0.00 7.21 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 19 P 0.00 4.54 0.00 2.12 2.17 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 20 S 9.55 4.46 0.00 3.85 3.95 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 21 N 7.81 4.28 0.00 2.97 3.19 0.00 0.00 7.04 7.64 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 22 R 8.74 4.25 0.00 1.88 2.03 0.00 3.29 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 23 Q 7.66 4.85 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 24 E 8.98 4.04 0.00 2.12 1.62 0.00 0.00 0.00 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 2.60 0.00 25 D 8.18 4.89 0.00 2.96 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 26 W 8.36 4.21 0.00 3.41 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.91 3.86 0.00 1.22 1.69 0.00 0.00 0.00 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 2.29 0.00 28 Y 7.56 4.48 0.00 3.12 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.70 3.64 1.70 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 1.28 0.82 0.66 0.00 0.00 30 I 7.70 3.84 1.83 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.92 0.85 0.00 0.00 31 G 7.46 2.35 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 0.00 32 F 8.04 4.06 0.00 3.17 3.19 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 33 C 7.64 3.75 0.00 3.09 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 34 D 7.70 4.24 0.00 2.43 2.61 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 35 Q 7.59 4.04 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 36 I 7.35 3.58 1.67 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.31 0.75 0.00 0.00 37 N 7.95 4.51 0.00 2.81 2.77 0.00 0.00 6.95 6.95 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 38 K 7.92 4.04 0.00 1.80 1.84 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.66 1.60 7.81 39 E 7.65 4.01 0.00 2.00 1.88 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 2.58 2.26 0.00 40 L 8.56 4.09 0.00 1.57 1.69 0.91 0.88 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 41 E 7.91 4.88 0.00 2.02 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 2.27 2.25 0.00 42 G 7.94 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.12 2.18 0.00 3.61 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 2.10 2.23 0.00 44 Q 8.06 4.07 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.71 0.00 45 I 7.80 3.85 1.98 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 1.48 1.05 0.98 0.00 0.00 46 A 8.58 4.27 1.52 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 0.00 0.00 47 V 7.85 3.42 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 -0.15 0.00 0.00 0.91 0.00 0.00 48 R 7.65 4.02 0.00 2.17 2.05 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 49 L 8.09 4.07 0.00 2.05 1.80 1.11 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.66 4.03 0.00 2.06 1.95 1.24 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.60 4.14 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 52 H 8.16 4.31 0.00 3.25 3.56 0.00 5.79 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 53 K 8.02 3.88 0.00 1.93 1.76 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.65 1.53 7.81 54 I 8.05 3.81 2.09 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.65 0.93 0.00 0.00 55 Q 7.32 4.39 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 56 S 7.38 4.25 0.00 3.76 3.83 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 57 P 0.00 4.27 0.00 2.09 2.11 0.00 3.72 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 2.03 2.11 0.00 58 Q 7.92 4.32 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 59 E 9.10 3.95 0.00 2.08 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 2.54 2.48 0.00 60 W 8.35 4.93 0.00 3.33 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 61 E 8.62 3.93 0.00 2.06 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 2.20 2.39 0.00 62 A 7.88 4.12 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 63 L 8.43 3.95 0.00 2.13 1.83 1.05 1.20 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 64 Q 7.56 3.58 0.00 1.58 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.35 1.16 0.00 65 A 7.83 3.85 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 66 L 7.94 4.04 0.00 1.93 1.78 0.95 0.60 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 67 T 7.88 3.92 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 0.98 0.00 0.00 68 V 7.90 3.48 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 0.94 0.00 0.00 0.70 0.00 0.00 69 L 7.95 4.14 0.00 1.95 2.17 1.23 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.30 4.32 0.00 2.31 2.29 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 2.49 2.52 0.00 71 A 8.25 4.32 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 72 C 8.07 4.13 0.00 2.46 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 *74 K 8.08 4.23 0.00 1.81 1.93 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.54 7.81 75 N 8.04 4.77 0.00 2.68 2.73 0.00 0.00 6.83 7.26 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 76 C 7.70 5.05 0.00 2.59 2.68 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 77 G 7.89 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 78 R 8.38 3.84 0.00 1.97 2.18 0.00 3.10 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 79 R 7.92 3.82 0.00 2.02 2.19 0.00 2.91 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 80 F 7.73 4.20 0.00 3.14 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 81 H 7.91 3.93 0.00 3.27 3.19 0.00 5.69 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 82 N 7.96 4.17 0.00 2.57 2.80 0.00 0.00 7.13 7.88 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 83 E 7.06 3.90 0.00 1.56 1.64 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 2.33 2.23 0.00 84 V 7.14 3.42 1.64 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 0.57 0.00 0.00 -0.10 0.00 0.00 85 G 7.55 4.42 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 0.00 86 K 7.22 4.45 0.00 1.90 1.65 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.47 7.81 87 F 8.25 4.55 0.00 3.12 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 88 R 8.19 4.02 0.00 1.84 2.10 0.00 3.23 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 89 F 7.97 4.57 0.00 3.05 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 90 L 8.39 3.89 0.00 1.83 1.84 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.65 4.26 0.00 2.74 2.80 0.00 0.00 7.08 7.68 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 92 E 7.86 3.96 0.00 1.76 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 2.53 2.50 0.00 93 L 7.66 4.08 0.00 1.74 1.64 1.14 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.51 3.62 1.85 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 1.63 0.71 0.77 0.00 0.00 95 K 7.85 3.71 0.00 1.81 1.77 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.58 1.29 7.81 96 V 7.41 3.68 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 0.83 0.00 0.00 0.98 0.00 0.00 97 V 7.54 4.11 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 0.80 0.00 0.00 0.96 0.00 0.00 98 S 8.46 4.36 0.00 3.87 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 99 P 0.00 4.52 0.00 2.09 2.40 0.00 3.78 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 2.04 2.10 0.00 100 K 8.29 4.08 0.00 1.67 1.85 0.00 1.64 0.00 0.00 1.43 0.00 0.00 2.56 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.69 1.21 7.81 101 Y 8.54 4.22 0.00 3.11 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 0.00 102 L 6.13 4.41 0.00 1.91 1.72 0.94 1.05 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 0.00 103 G 8.72 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 0.00 0.00 0.00 104 D 8.12 4.31 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.93 4.45 0.00 1.91 1.93 0.00 3.19 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 106 V 7.03 3.78 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 0.79 0.00 0.00 1.06 0.00 0.00 107 S 8.32 4.53 0.00 4.10 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 0.00 108 E 8.69 3.98 0.00 2.01 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 2.41 2.36 0.00 109 K 8.01 3.95 0.00 1.84 1.91 0.00 2.10 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.53 7.81 110 V 7.56 3.59 2.22 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 1.01 0.00 0.00 0.97 0.00 0.00 111 K 8.23 3.90 0.00 1.87 2.00 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 112 T 8.13 3.87 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 1.32 0.00 0.00 113 K 8.00 3.82 0.00 2.04 2.05 0.00 1.55 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.52 7.81 114 V 7.79 3.52 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 0.95 0.00 0.00 1.01 0.00 0.00 115 I 7.78 3.74 2.03 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 1.46 0.46 1.03 0.00 0.00 116 E 8.56 3.94 0.00 2.07 2.19 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 2.26 2.37 0.00 117 L 7.68 3.35 0.00 1.24 0.26 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.29 3.60 0.00 1.81 1.78 1.00 0.85 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 0.00 119 Y 7.75 3.32 0.00 2.43 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 0.00 120 S 7.59 3.93 0.00 3.68 3.81 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 0.00 121 W 8.16 4.61 0.00 3.51 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 0.00 122 T 7.45 4.11 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 1.23 0.00 0.00 *124 A 7.93 4.33 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 4.80 0.00 1.89 1.55 0.76 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.26 0.00 2.04 2.14 0.00 3.67 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 2.03 2.08 0.00 127 E 8.13 4.08 0.00 2.05 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 0.00 2.25 2.30 0.00 128 E 8.21 4.20 0.00 2.09 1.88 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 2.25 2.29 0.00 129 A 8.28 4.02 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 0.00 130 K 7.95 3.87 0.00 1.62 0.96 0.00 1.32 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.12 1.26 7.81 131 I 7.75 3.86 2.10 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.91 1.15 0.00 0.00 132 K 7.93 4.06 0.00 2.00 1.78 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.56 7.81 133 D 8.14 4.46 0.00 3.05 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 0.00 134 A 8.11 4.28 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Y 8.22 4.33 0.00 3.14 3.19 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 0.00 136 H 8.75 4.04 0.00 3.42 3.29 0.00 5.72 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *138 L 7.97 4.19 0.00 1.72 1.65 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.41 4.02 0.00 1.78 1.67 0.00 0.93 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.99 0.94 7.81 140 R 7.79 3.26 0.00 1.79 1.95 0.00 3.23 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 141 Q 8.00 4.32 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.83 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 142 G 8.89 3.93 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 0.00 0.00 0.00 143 I 8.00 3.74 1.93 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 1.19 0.57 0.90 0.00 0.00 144 V 7.37 4.28 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 1.01 0.00 0.00 0.85 0.00 0.00 145 Q 8.77 3.99 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 146 S 7.32 4.47 0.00 3.87 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 0.00 147 D 8.81 4.11 0.00 2.55 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 0.00 0.00 0.00 148 P 0.00 4.58 0.00 2.21 2.03 0.00 2.99 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 2.09 1.97 0.00 149 P 0.00 4.65 0.00 2.24 2.12 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 150 I 7.84 4.75 1.86 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 1.43 0.71 1.06 0.00 0.00 151 P 0.00 4.32 0.00 2.08 2.05 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 152 V 8.19 3.62 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 0.00 153 D 8.33 4.46 0.00 2.66 2.48 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 0.00 154 R 8.48 4.12 0.00 1.83 1.97 0.00 3.25 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 155 T 8.37 4.20 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 156 L 7.77 4.28 0.00 1.71 1.68 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 157 I 8.16 3.59 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.35 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.