NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0650 8.0549 120.3913 62.5826 32.7349 174.3150 2 L 4.2688 8.0781 122.7691 51.6812 42.7345 176.2937 3 S 4.5215 9.6656 119.6619 57.6844 66.1985 175.0155 4 E 4.2468 8.8895 121.8943 59.8516 29.1746 179.9665 5 G 3.6292 8.1139 105.0274 47.7537 0.0000 175.4113 6 E 3.8922 7.9076 120.9675 59.0640 29.4052 179.4525 7 W 4.3676 8.2116 119.0296 59.8839 29.0715 178.3452 8 Q 4.0662 8.5662 119.7089 59.1364 28.3991 178.3049 9 L 4.0403 8.0110 120.1002 57.7044 41.6887 179.5741 10 V 3.7198 7.8465 118.0954 66.3272 31.5829 178.1502 11 L 4.3126 8.4559 118.6080 57.5868 41.2538 178.9425 12 H 4.2241 8.3855 118.2932 59.2529 30.2709 177.4117 13 V 3.7643 7.8844 120.8005 64.4438 31.3619 178.1339 14 W 3.9025 8.5395 128.8623 60.1481 30.2906 177.7756 15 A 4.0432 7.9979 119.9711 54.9715 18.1446 179.4843 16 K 3.9408 7.6971 116.8467 59.4164 32.0397 179.6362 17 V 2.8742 7.0380 118.0325 65.7140 31.0739 177.4824 18 E 3.8985 7.5072 116.1190 58.0440 29.3856 178.3197 19 A 4.2107 7.3868 119.6824 53.3464 20.1934 177.5981 20 D 4.6591 7.7720 116.0459 52.2909 43.1388 175.6591 21 V 3.4342 7.8085 123.4957 65.7481 32.1765 176.7725 22 A 4.0552 7.9844 120.1903 55.1129 18.2963 179.7301 23 G 3.4848 8.4657 104.2692 48.1710 0.0000 175.7294 24 H 4.1519 8.2040 118.5922 58.4898 28.6971 178.1289 25 G 3.5731 8.2707 107.6536 47.7610 0.0000 175.7151 26 Q 3.8967 8.0463 120.3884 58.9183 28.7902 178.7356 27 D 4.2924 7.9033 119.6985 57.3652 40.8225 179.0424 28 I 3.6643 7.8402 120.3237 64.3279 37.0654 178.5409 29 L 3.5005 7.7254 119.8013 57.5578 41.2938 179.6242 30 I 3.6045 7.6045 119.7753 64.2340 37.0040 178.4065 31 R 3.7778 7.8516 119.5333 59.1953 29.9016 178.1669 32 L 3.9218 7.7421 120.0112 58.4479 41.5680 179.1299 33 F 4.5724 8.0099 117.6501 60.4894 38.5455 177.9508 34 K 4.0513 8.1443 117.6819 59.4427 32.0011 179.2570 35 S 4.3405 8.0201 114.2858 60.0080 64.2565 174.4726 36 H 4.7544 8.0894 118.3306 52.1386 29.3108 171.9137 37 P 4.5339 0.0000 0.0000 64.4488 31.3514 177.5198 38 E 4.0895 8.2928 116.5365 59.5543 29.2087 179.1735 39 T 3.8367 8.1079 110.9047 64.4775 68.7983 176.2952 40 L 3.6934 7.8530 123.1772 57.7243 41.7741 178.3342 41 E 4.1357 7.9098 118.0570 58.3238 29.6583 178.1142 42 K 4.4370 7.9101 116.8440 56.9797 32.8270 176.7692 43 F 4.6055 8.0828 119.1578 55.3000 38.8737 175.6645 44 D 4.4478 8.6450 126.4936 57.2903 40.9129 178.9026 45 R 3.8819 7.8805 116.8914 58.3120 30.1981 177.0892 46 F 5.0677 7.9816 113.7930 56.7909 40.4944 176.5510 47 K 4.2059 8.0838 119.3644 58.3913 32.7712 177.5531 48 H 4.3987 8.0985 114.6702 57.2953 28.9972 175.3427 49 L 4.1789 7.6264 121.7192 54.4109 41.7607 176.6371 50 K 4.4799 9.4746 123.2076 56.1764 34.6819 176.8701 51 T 4.7158 7.5557 107.9646 59.0364 72.8795 174.2858 52 E 3.8891 8.6605 121.9617 59.5364 29.6892 178.9109 53 A 3.9661 7.9816 120.2263 55.2174 18.2109 179.3324 54 E 3.9232 7.7862 115.9637 59.7780 29.7128 179.0947 55 M 4.1530 8.0361 118.6930 58.4821 31.8309 179.0771 56 K 3.9544 8.1263 117.2219 58.9829 32.2660 178.6073 57 A 4.3816 7.6257 118.7977 52.1458 18.8850 177.1370 58 S 4.3307 7.4427 113.9056 57.3501 62.8898 174.4734 59 E 3.9788 8.8649 129.1901 59.2901 29.4627 177.9701 60 D 4.4472 8.1791 117.8588 57.1981 41.3341 177.8398 61 L 3.4963 8.0262 120.9755 57.8122 42.1452 178.8187 62 K 3.8654 7.8091 119.7096 59.2917 32.0988 178.5997 63 K 3.9502 8.2442 119.9371 59.9248 32.0927 178.3109 64 H 4.4258 8.5240 118.6590 59.0952 29.8046 177.3195 65 G 3.6161 8.3018 107.8154 47.8134 0.0000 175.8140 66 V 3.6276 7.7605 120.1734 65.9815 31.6906 178.1818 67 T 3.8748 7.8702 115.4961 66.6628 68.3491 176.7040 68 V 3.6147 7.8693 120.0137 66.2065 31.5574 178.1658 69 L 4.2668 8.1083 118.6044 57.8904 41.5460 179.6357 70 T 3.9481 8.3676 116.0773 66.5658 68.4418 176.5587 71 A 4.0170 7.9598 122.3006 55.0286 18.3363 179.4415 72 L 3.7621 8.1356 119.0596 58.1312 42.1401 179.4052 73 G 3.2404 8.4046 105.6543 47.6254 0.0000 175.5062 74 A 4.0147 7.6735 121.8632 54.8127 18.6581 179.6474 75 I 3.7786 7.4784 117.8126 64.6360 37.2670 178.6607 76 L 3.9721 7.7969 120.0059 57.6740 41.1831 179.5424 77 K 4.0365 7.7306 116.6901 58.1859 32.2696 178.5789 78 K 3.9801 7.8843 118.2484 55.6690 32.6190 176.5156 79 K 2.0000 8.1991 118.0431 56.4904 29.7625 175.1481 80 G 4.0434 7.9954 106.1878 45.9970 0.0000 174.1833 81 H 4.6689 7.5187 118.6027 55.3761 27.5385 174.9797 82 H 5.1879 7.3483 110.6849 54.5784 29.7340 176.6204 83 E 3.9653 8.5344 121.8771 60.2999 28.9959 178.9618 84 A 4.0325 7.9487 118.7508 55.0278 18.2035 179.0056 85 E 4.1270 8.0623 116.6992 59.2524 29.8054 178.7810 86 L 4.1003 8.2411 120.5376 57.4700 42.1844 178.7096 87 K 3.8944 8.1880 119.8183 59.1879 32.1954 177.0329 88 P 4.2878 0.0000 0.0000 65.3182 31.1576 178.3812 89 L 4.0239 7.9454 118.6197 58.0547 42.1167 178.6533 90 A 4.0979 8.2006 120.8285 55.3558 18.3282 179.5963 91 Q 3.8707 8.1952 116.7378 59.1661 28.7934 179.3341 92 S 4.0580 8.1760 115.2478 61.7043 63.0786 176.2454 93 H 4.1732 8.6915 119.7670 58.1830 28.1872 177.7215 94 A 3.0367 7.7385 122.3768 54.4769 18.2507 178.9639 95 T 3.8643 7.1961 105.8218 61.9171 69.7602 175.3635 96 K 4.1951 7.4594 120.4289 58.3439 33.3819 176.9349 97 H 4.2912 7.8854 114.2364 56.2837 29.4660 175.6098 98 K 3.5714 7.6699 117.3029 57.2044 28.8087 175.5523 99 I 4.2371 7.9222 118.3680 58.8694 38.3918 175.1248 100 P 4.4872 0.0000 0.0000 62.1382 32.1057 177.6960 101 I 3.5594 8.4441 121.6455 64.4971 36.9281 178.4970 102 K 3.6492 7.9519 119.8940 59.7884 31.8638 178.1671 103 Y 4.1173 7.9011 116.7176 60.6003 37.7597 178.0518 104 L 4.1786 7.9102 120.3943 57.5093 41.6424 178.9983 105 E 3.9611 7.9471 118.9696 59.2911 29.6676 178.7041 106 F 4.4745 8.0328 117.8178 60.8186 38.9149 177.5799 107 I 3.8478 8.1007 118.2244 64.0220 37.7342 178.0768 108 S 4.1861 8.2457 116.3182 61.6275 62.6817 176.4754 109 E 4.0442 8.4261 121.0733 59.3553 29.2357 179.2338 110 A 4.0391 8.0971 120.8069 55.1662 18.4043 179.7095 111 I 3.6739 8.0857 118.4836 64.6493 37.2167 178.6827 112 I 3.7851 7.8292 120.5791 64.6644 36.9775 177.9942 113 H 4.1156 8.3830 118.9911 59.3920 29.7466 177.5652 114 V 3.6089 7.9195 120.0367 65.8430 31.3286 177.9985 115 L 3.8008 7.9405 118.9965 57.8474 41.0559 178.9687 116 H 4.3791 7.8912 117.4256 59.3114 29.8899 177.2256 117 S 4.1544 7.8777 116.2159 61.3517 62.7531 176.2448 118 R 4.1540 7.8049 118.7501 57.1054 31.1888 176.3155 119 H 4.9972 8.1192 116.2598 53.6242 29.9717 172.9604 120 P 4.3026 0.0000 0.0000 65.9748 31.4818 179.1809 121 G 3.6464 8.1492 106.5206 47.6093 0.0000 173.6782 122 D 4.9294 7.9375 117.2357 53.9819 41.5666 176.3290 123 F 4.9302 7.9414 120.1615 56.6217 39.4841 174.4176 124 G 3.8885 7.6671 108.7251 43.9772 0.0000 172.3232 125 A 3.8890 8.3920 120.8381 54.9961 18.2392 179.5578 126 D 4.1716 7.9398 117.0721 56.6339 39.4322 178.6079 127 A 3.9023 7.7104 121.8834 54.5903 18.3489 179.1421 128 Q 3.4103 7.7783 118.5763 59.0976 29.0668 178.8739 129 G 3.4806 8.1627 106.6767 47.6347 0.0000 175.5999 130 A 3.8682 7.9161 123.2275 55.0506 18.4067 179.4123 131 M 3.9984 8.3480 117.1011 58.6674 32.2521 177.8134 132 N 4.3156 8.4181 117.4334 56.7970 39.1140 176.9624 133 K 4.1428 8.2938 120.8371 58.8478 32.0873 179.1880 134 A 3.8625 7.9712 121.0578 55.1867 18.3071 179.7154 135 L 4.1139 8.1516 117.3981 57.6405 41.1581 179.4922 136 E 4.0142 8.5068 119.1280 59.2150 29.3987 179.0304 137 L 4.0040 8.1181 120.3996 58.0249 42.2030 178.5205 138 F 4.1386 8.2658 120.6473 61.6071 39.2206 177.1353 139 R 3.5630 8.1388 118.0161 59.1254 29.9494 178.3313 140 K 3.8741 8.3171 119.7908 59.6580 31.9186 178.5949 141 D 4.3691 8.1413 119.1624 57.1292 40.6508 178.8237 142 I 3.4836 7.4971 120.1934 64.2029 36.9940 178.1815 143 A 3.6747 8.0483 121.7345 55.1105 18.2010 179.5586 144 A 3.9481 7.8728 118.9674 55.2262 18.5557 180.0903 145 K 4.0168 7.8464 116.8639 59.6892 32.0391 179.0891 146 Y 4.2249 8.4580 117.4233 61.1638 37.8713 178.8218 147 K 3.9982 8.4412 120.5437 59.3121 32.0723 178.2726 148 E 3.9619 7.9357 118.6115 59.4171 29.6824 178.3782 149 L 4.4054 7.7776 115.3663 55.2457 41.9290 177.7144 150 G 3.8071 7.9542 106.7852 45.9346 0.0000 173.7189 151 Y 4.2793 8.0153 114.9607 57.3365 38.6147 177.0320 152 Q 4.0885 7.9430 121.4657 57.8801 29.7020 176.0010 153 G 4.0788 7.9942 110.6729 45.8080 0.0000 172.8977 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 1 V 8.05 4.06 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 1.08 0.00 0.00 0.96 0.00 0.00 2 L 8.08 4.27 0.00 0.90 0.72 0.50 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.67 4.52 0.00 4.04 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 4 E 8.89 4.25 0.00 2.05 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 2.49 2.38 0.00 5 G 8.11 3.63 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 0.00 0.00 0.00 6 E 7.91 3.89 0.00 2.00 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 2.22 2.27 0.00 7 W 8.21 4.37 0.00 3.55 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 8 Q 8.57 4.07 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 9 L 8.01 4.04 0.00 1.95 1.74 0.89 0.84 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 10 V 7.85 3.72 2.43 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 1.18 0.00 0.00 0.87 0.00 0.00 11 L 8.46 4.31 0.00 1.85 1.80 0.93 1.32 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 12 H 8.39 4.22 0.00 3.28 3.60 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.88 3.76 2.28 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 0.95 0.00 0.00 0.86 0.00 0.00 14 W 8.54 3.90 0.00 3.65 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 15 A 8.00 4.04 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 16 K 7.70 3.94 0.00 1.53 1.66 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.70 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.45 7.81 17 V 7.04 2.87 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 0.00 0.00 -0.07 0.00 0.00 0.22 0.00 0.00 18 E 7.51 3.90 0.00 2.04 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 2.27 2.24 0.00 19 A 7.39 4.21 1.28 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 0.00 0.00 20 D 7.77 4.66 0.00 2.70 2.52 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 21 V 7.81 3.43 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 1.05 0.00 0.00 0.89 0.00 0.00 22 A 7.98 4.06 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 23 G 8.47 3.48 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 0.00 24 H 8.20 4.15 0.00 3.26 3.23 0.00 5.82 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 25 G 8.27 3.57 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 0.00 26 Q 8.05 3.90 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 27 D 7.90 4.29 0.00 2.76 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 28 I 7.84 3.66 1.81 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 1.50 0.87 0.88 0.00 0.00 29 L 7.73 3.50 0.00 1.36 0.96 0.83 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.60 3.60 1.84 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 1.36 0.57 0.87 0.00 0.00 31 R 7.85 3.78 0.00 1.94 2.01 0.00 3.05 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 32 L 7.74 3.92 0.00 1.77 1.48 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.01 4.57 0.00 2.98 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 34 K 8.14 4.05 0.00 1.75 1.83 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.58 7.81 35 S 8.02 4.34 0.00 3.73 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 36 H 8.09 4.75 0.00 3.08 2.96 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.53 0.00 2.16 2.10 0.00 3.84 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 2.09 1.98 0.00 38 E 8.29 4.09 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 39 T 8.11 3.84 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 40 L 7.85 3.69 0.00 1.36 1.74 0.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.91 4.14 0.00 1.99 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 2.38 2.43 0.00 42 K 7.91 4.44 0.00 1.76 1.62 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.73 1.86 7.81 43 F 8.08 4.61 0.00 3.23 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 44 D 8.64 4.45 0.00 2.63 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 45 R 7.88 3.88 0.00 1.10 0.66 0.00 3.01 0.00 0.00 2.79 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.44 0.00 46 F 7.98 5.07 0.00 2.86 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 47 K 8.08 4.21 0.00 1.87 1.95 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.71 1.46 7.81 48 H 8.10 4.40 0.00 3.31 3.47 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.63 4.18 0.00 1.61 1.57 0.84 0.64 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 50 K 9.47 4.48 0.00 1.82 1.80 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.32 7.81 51 T 7.56 4.72 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 52 E 8.66 3.89 0.00 2.04 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 2.36 2.36 0.00 53 A 7.98 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.79 3.92 0.00 2.08 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 2.35 2.35 0.00 55 M 8.04 4.15 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.56 0.00 56 K 8.13 3.95 0.00 1.82 1.85 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.57 7.81 57 A 7.63 4.38 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 58 S 7.44 4.33 0.00 3.84 3.85 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 59 E 8.86 3.98 0.00 2.14 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 2.40 2.45 0.00 60 D 8.18 4.45 0.00 2.95 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 61 L 8.03 3.50 0.00 1.32 1.62 0.68 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.81 3.87 0.00 1.78 1.99 0.00 1.86 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.24 3.95 0.00 1.93 2.11 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.52 4.43 0.00 3.63 3.58 0.00 5.85 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 65 G 8.30 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 66 V 7.76 3.63 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 1.13 0.00 0.00 0.98 0.00 0.00 67 T 7.87 3.87 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 68 V 7.87 3.61 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 1.09 0.00 0.00 0.89 0.00 0.00 69 L 8.11 4.27 0.00 1.81 1.87 0.88 0.71 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 70 T 8.37 3.95 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 1.25 0.00 0.00 71 A 7.96 4.02 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 72 L 8.14 3.76 0.00 1.70 1.73 0.18 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.40 3.24 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 0.00 0.00 0.00 74 A 7.67 4.01 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 75 I 7.48 3.78 1.88 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 1.54 0.87 0.92 0.00 0.00 76 L 7.80 3.97 0.00 1.20 1.56 -0.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.73 4.04 0.00 1.66 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.53 7.81 78 K 7.88 3.98 0.00 1.86 1.80 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.75 7.81 79 K 8.20 2.00 0.00 1.19 0.74 0.00 1.45 0.00 0.00 1.40 0.00 0.00 2.62 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.66 7.81 80 G 8.00 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 0.00 0.00 0.00 0.00 81 H 7.52 4.67 0.00 3.18 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.35 5.19 0.00 3.28 3.45 0.00 5.66 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 83 E 8.53 3.97 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 2.44 2.34 0.00 84 A 7.95 4.03 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 85 E 8.06 4.13 0.00 2.22 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 2.39 2.43 0.00 86 L 8.24 4.10 0.00 1.78 1.68 0.71 0.79 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 87 K 8.19 3.89 0.00 1.90 1.80 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.64 7.81 88 P 0.00 4.29 0.00 2.22 2.10 0.00 3.72 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 2.13 2.15 0.00 89 L 7.95 4.02 0.00 1.81 1.88 1.00 1.20 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 90 A 8.20 4.10 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 91 Q 8.20 3.87 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 92 S 8.18 4.06 0.00 3.93 4.10 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 93 H 8.69 4.17 0.00 3.48 3.58 0.00 5.81 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 94 A 7.74 3.04 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.20 3.86 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 0.91 0.00 0.00 96 K 7.46 4.20 0.00 1.56 1.75 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.14 1.33 7.81 97 H 7.89 4.29 0.00 3.06 3.17 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.67 3.57 0.00 1.84 1.81 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.37 7.81 99 I 7.92 4.24 2.05 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 1.35 0.95 1.12 0.00 0.00 100 P 0.00 4.49 0.00 1.82 1.77 0.00 2.66 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 0.76 1.65 0.00 101 I 8.44 3.56 1.78 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.84 0.77 0.00 0.00 102 K 7.95 3.65 0.00 1.72 1.64 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 0.57 7.81 103 Y 7.90 4.12 0.00 3.21 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 0.00 104 L 7.91 4.18 0.00 1.84 1.79 0.65 0.91 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 0.00 105 E 7.95 3.96 0.00 1.98 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 2.47 2.45 0.00 106 F 8.03 4.47 0.00 3.22 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 0.00 107 I 8.10 3.85 2.01 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 1.58 1.64 1.11 0.00 0.00 108 S 8.25 4.19 0.00 4.20 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 0.00 109 E 8.43 4.04 0.00 2.29 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 0.00 2.61 2.59 0.00 110 A 8.10 4.04 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 0.00 111 I 8.09 3.67 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.75 1.02 0.00 0.00 112 I 7.83 3.79 1.99 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 1.65 0.74 1.14 0.00 0.00 113 H 8.38 4.12 0.00 3.40 3.47 0.00 5.78 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 0.00 114 V 7.92 3.61 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.98 0.00 0.00 115 L 7.94 3.80 0.00 0.86 0.55 0.75 0.60 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 0.00 116 H 7.89 4.38 0.00 3.45 3.50 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.88 4.15 0.00 3.95 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 0.00 118 R 7.80 4.15 0.00 1.61 1.61 0.00 3.07 0.00 0.00 2.88 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 119 H 8.12 5.00 0.00 3.22 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.30 0.00 2.21 2.26 0.00 3.59 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 121 G 8.15 3.65 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 0.00 0.00 0.00 122 D 7.94 4.93 0.00 2.73 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 0.00 123 F 7.94 4.93 0.00 3.00 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 0.00 124 G 7.67 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 0.00 125 A 8.39 3.89 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 0.00 126 D 7.94 4.17 0.00 2.82 2.89 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 0.00 127 A 7.71 3.90 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 0.00 128 Q 7.78 3.41 0.00 1.53 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 129 G 8.16 3.48 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 0.00 130 A 7.92 3.87 1.29 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 0.00 0.00 131 M 8.35 4.00 0.00 2.40 2.38 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.84 0.00 132 N 8.42 4.32 0.00 2.94 2.93 0.00 0.00 7.23 7.75 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 0.00 133 K 8.29 4.14 0.00 1.88 1.68 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.39 7.81 134 A 7.97 3.86 1.24 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 0.00 0.00 135 L 8.15 4.11 0.00 1.76 1.80 0.97 0.64 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 0.00 136 E 8.51 4.01 0.00 2.19 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 2.34 2.55 0.00 137 L 8.12 4.00 0.00 1.90 1.98 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.27 4.14 0.00 3.11 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 0.00 139 R 8.14 3.56 0.00 2.08 2.03 0.00 3.09 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 140 K 8.32 3.87 0.00 1.87 1.97 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.14 4.37 0.00 2.80 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 0.00 142 I 7.50 3.48 1.31 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 1.07 0.20 0.26 0.00 0.00 143 A 8.05 3.67 1.24 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 0.00 0.00 144 A 7.87 3.95 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 0.00 145 K 7.85 4.02 0.00 1.97 1.92 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.63 7.81 146 Y 8.46 4.22 0.00 3.09 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.44 4.00 0.00 1.97 2.00 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.94 3.96 0.00 2.07 2.23 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 2.36 2.39 0.00 149 L 7.78 4.41 0.00 2.02 1.97 0.83 0.81 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 0.00 150 G 7.95 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 0.00 0.00 0.00 151 Y 8.02 4.28 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 7.94 4.09 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 153 G 7.99 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 0.00 0.00 0.00