NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4421 8.1585 120.3292 55.2537 34.0157 177.8267 2 A 4.0345 8.1783 121.5924 54.6544 18.5345 176.0981 3 E 4.0946 8.8446 118.9937 59.6388 29.8458 177.2988 4 A 4.0487 8.0936 120.0999 55.1363 18.4503 179.4348 5 L 3.9703 7.8519 117.4898 58.0513 41.6676 179.1234 6 F 3.8658 8.7178 119.7875 61.5507 39.4082 177.0491 7 K 3.9428 8.5633 119.1339 59.1773 31.8068 178.0842 8 E 3.8273 7.9786 118.7015 59.7875 29.5807 178.7039 9 I 3.6833 7.7345 118.4019 63.8264 38.7512 177.3259 10 D 4.5892 7.5595 120.2515 52.9472 37.2541 176.8620 11 V 3.5943 7.4658 121.0058 66.2326 32.3800 176.6146 12 N 4.2788 7.5785 115.7966 56.1177 38.7028 176.0398 13 G 3.6989 9.0646 103.8211 46.4016 0.0000 173.3578 14 D 4.6029 8.4530 116.7087 52.6080 41.0536 177.8312 15 G 3.9601 9.5777 108.4631 44.7796 0.0000 172.2679 16 A 5.3771 8.6136 120.7060 50.0175 22.4949 175.7486 17 V 4.5406 8.9133 119.2389 60.0567 35.4280 173.4670 18 S 5.2393 8.0918 113.3973 56.7504 66.3422 174.2344 19 Y 3.4638 8.2527 117.3473 59.9638 37.5615 177.6973 20 E 3.6959 6.1463 118.9277 58.8996 29.7585 178.7881 21 E 3.8607 7.7956 119.8278 58.8800 29.5111 179.6636 22 V 3.6685 7.7273 119.1634 64.8291 31.4899 177.9998 23 K 3.8583 8.0825 120.7108 59.0410 31.8842 178.3396 24 A 3.9269 8.1021 120.6383 55.1272 18.1354 179.0031 25 F 3.8654 8.1803 117.8888 61.8918 39.6099 177.5064 26 V 3.9327 8.5314 112.1407 64.4486 31.1124 178.3586 27 S 4.6301 8.2535 113.6922 60.8454 62.2699 175.6585 28 K 3.8786 8.2707 121.4923 60.3663 31.7449 177.2009 29 K 4.2208 8.3225 120.0833 58.1352 32.7221 178.8383 30 R 4.5778 7.6302 116.2090 55.4198 34.9362 174.2661 31 A 5.5700 8.1212 116.5409 51.1354 19.2339 176.8709 32 I 4.2147 7.4574 119.7611 60.3627 38.5169 174.7219 33 K 3.8920 7.8449 113.5754 58.1048 29.0332 178.7671 34 N 4.5021 8.1143 118.4892 55.5884 37.6899 175.9012 35 E 3.9673 8.1509 119.7963 59.6171 29.5884 178.7218 36 Q 3.9364 8.0242 120.4580 58.3487 29.3548 177.2633 37 L 3.9501 7.9742 119.9287 58.1245 41.7792 179.2311 38 L 4.0867 8.4491 119.9968 58.5278 42.0916 178.6291 39 Q 3.9330 8.3436 119.2120 59.3902 28.9097 179.2079 40 L 3.9617 8.1582 121.1215 58.3564 42.2409 178.6263 41 I 3.5336 7.8293 119.6702 64.3035 36.8391 177.7325 42 F 4.1914 9.1821 121.4575 61.7527 38.9867 177.2504 43 K 4.3109 8.2230 116.4389 60.0626 32.0882 178.9159 44 S 4.2206 8.0529 111.2946 61.2864 62.2419 176.0617 45 I 4.0526 7.8379 122.5271 63.4059 37.5711 176.4814 46 D 4.3479 8.5889 126.9690 54.6928 39.5049 176.4440 47 A 4.1565 8.3663 127.5576 54.8212 18.9134 178.7469 48 D 4.4125 8.0980 114.2974 54.4319 40.1110 176.6386 49 G 3.7976 8.1491 106.2725 46.2430 0.0000 173.5188 50 N 4.5030 8.4161 115.8282 53.0426 38.2878 176.7336 51 G 4.2273 9.7833 109.0282 45.4037 0.0000 172.3499 52 E 5.4356 7.6758 116.2930 54.8768 33.8496 173.9857 53 I 4.9760 8.8582 112.8212 60.2028 41.6929 172.4706 54 D 5.4501 8.5353 120.7005 51.2841 42.7285 176.6062 55 Q 2.5200 8.3675 116.0184 59.2233 28.2240 177.7523 56 N 4.3937 8.1722 118.7885 56.5449 38.6884 176.0423 57 E 3.9332 9.1089 119.7877 59.7032 29.5661 179.4622 58 F 4.0467 8.3753 120.5196 60.9272 39.0797 177.0127 59 A 3.8252 8.3927 120.9004 55.1477 18.3821 179.3058 60 K 4.0177 8.2231 118.0372 59.2071 32.0001 178.8249 61 F 3.8539 8.2625 121.0613 61.1650 39.2980 175.7400 62 Y 4.1842 7.7609 118.7557 59.8064 38.7547 176.2594 63 G 4.1932 7.8500 109.2346 46.4232 0.0000 173.5239 64 S 4.6795 8.2531 122.3874 57.9666 64.6973 175.3698 65 I 4.2462 7.5965 115.6029 62.0609 39.4095 175.7091 66 Q 4.4561 7.7735 118.3542 53.9696 29.5142 174.1660 67 G 4.0048 8.0178 108.5954 46.0749 0.0000 171.9406 68 Q 4.6255 7.5039 122.5697 54.7217 33.1233 173.4252 69 D 4.4769 8.1996 128.0440 54.3983 45.2657 178.7164 70 L 4.1613 7.5138 118.6138 57.8661 41.8781 179.0625 71 S 4.1177 8.1223 114.5636 62.0398 62.3241 176.1155 72 D 4.3295 8.2118 119.7432 57.8198 40.4677 178.1325 73 D 4.1877 8.6151 119.3893 56.9980 40.7843 178.8686 74 K 4.1295 7.8810 118.7160 59.0491 32.0601 179.1997 75 I 3.7814 8.0027 120.8107 64.4222 37.0515 178.0671 76 G 3.7985 7.5429 106.0144 48.0602 0.0000 174.9159 77 L 4.0312 7.6545 121.7291 57.7699 42.0845 178.8784 78 K 3.8667 8.3892 118.4302 59.9141 32.0742 178.7041 79 V 3.5827 8.3496 118.1218 66.4568 31.3089 177.6529 80 L 3.8667 8.0574 118.1473 58.5060 41.4714 178.9132 81 Y 3.7352 8.7023 119.1776 60.8603 38.3164 178.4725 82 K 4.0068 8.1126 119.8257 59.0016 32.3693 178.3299 83 L 4.0193 8.0411 120.3834 58.2751 42.0999 178.3627 84 M 3.6759 7.6458 117.6595 57.4271 32.2638 177.4349 85 D 4.5557 7.1715 120.7927 53.9950 40.9489 175.7460 86 V 4.4024 8.0335 121.5401 61.2694 32.6030 177.0568 87 D 4.5828 8.5062 120.3984 56.0466 42.5765 177.6647 88 G 4.2832 8.9597 106.6221 46.2993 0.0000 171.7856 89 D 4.5350 7.9820 117.9125 55.0862 43.0142 178.3954 90 G 4.0673 9.5950 107.7513 44.1587 0.0000 172.3983 91 K 4.9447 9.1566 117.3230 55.2760 35.9535 174.8808 92 L 5.2554 9.2137 120.7245 52.1938 46.5918 175.1773 93 T 4.8236 8.0597 109.5727 59.2437 72.0827 175.2703 94 K 3.9387 8.1845 121.9304 60.0318 32.3761 179.0793 95 E 3.8581 7.8150 120.0334 58.7821 29.1913 178.1516 96 E 3.8497 8.4277 119.9941 59.3136 29.7951 179.0559 97 V 3.5424 8.2277 119.5287 65.3440 31.2455 178.4332 98 T 4.1947 8.1659 116.2828 66.2192 67.9895 176.7241 99 S 4.0595 7.9915 114.8428 61.1807 62.6687 175.9006 100 F 4.1667 8.2978 120.7697 60.4795 38.6002 177.8655 101 F 4.6434 8.7782 117.8635 60.0735 38.5731 177.3732 102 K 3.6491 8.4195 119.8160 59.8605 31.5665 178.3449 103 K 3.9754 7.5537 116.1910 59.8948 32.0410 178.3639 104 H 4.4847 8.9596 118.3195 59.0187 30.0059 176.3815 105 G 4.0213 7.6376 105.2342 45.5298 0.0000 174.1488 106 I 4.1173 7.6451 120.3882 59.2987 37.1896 176.3633 107 E 3.9062 8.0445 123.3913 59.6454 29.7125 179.0594 108 K 3.7531 8.1517 119.3774 59.8589 32.0874 178.4653 109 V 3.5829 7.9739 119.1049 65.1243 30.7790 178.1203 110 A 4.0644 8.3624 121.4136 54.9169 18.1766 179.2650 111 E 3.8926 7.9372 117.4491 59.3819 29.8089 178.6370 112 Q 3.9883 8.6440 120.1453 59.0856 29.1108 178.3524 113 V 3.5856 8.3335 119.8796 66.1463 31.3570 177.9884 114 M 4.1029 8.0204 117.6930 58.3758 30.5489 178.6116 115 K 4.1824 8.4135 118.4617 59.0020 32.0017 179.3205 116 A 4.3294 7.9490 120.7846 55.4962 18.2806 178.3840 117 D 4.1555 7.8293 114.1978 56.3999 41.2124 177.0192 118 A 4.0950 7.6714 124.7339 53.0628 18.2141 178.6150 119 N 4.2490 8.2424 111.3263 56.5906 39.1704 176.1469 120 G 3.9726 8.5006 102.5246 46.5783 0.0000 171.8929 121 D 4.7036 8.1487 117.2397 55.7166 41.8346 177.8065 122 G 4.1782 8.5262 107.4839 44.7357 0.0000 172.0478 123 Y 5.0381 9.2736 116.9492 56.3714 42.6159 173.8527 124 I 4.8323 9.1020 113.8753 60.4163 42.0251 173.0884 125 T 5.0424 8.2289 111.6556 59.1741 72.4249 174.9660 126 L 3.4242 8.3125 120.6087 58.7958 40.4304 179.1153 127 E 3.9459 8.0859 118.2559 58.9972 29.4956 178.5967 128 E 4.0174 8.2789 120.3826 58.9267 29.4885 178.4996 129 F 4.2365 7.9154 120.1726 60.9518 39.5479 176.7910 130 L 4.0448 8.1785 120.1250 58.2994 41.7689 178.4935 131 E 3.9318 8.3320 118.5428 59.7570 29.2108 179.4285 132 F 4.0899 8.3047 119.8159 61.0156 39.4633 177.1049 133 S 4.2022 8.1292 113.7144 60.8339 62.9625 173.9066 134 L 4.0656 7.3147 127.9099 55.0967 41.8227 176.1090 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 M 8.16 4.44 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 2 A 8.18 4.03 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 3 E 8.84 4.09 0.00 2.06 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 2.43 2.38 0.00 4 A 8.09 4.05 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 5 L 7.85 3.97 0.00 2.29 2.11 1.19 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.72 3.87 0.00 2.54 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 7 K 8.56 3.94 0.00 1.96 2.06 0.00 1.55 0.00 0.00 1.54 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.47 7.81 8 E 7.98 3.83 0.00 2.09 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 2.24 2.32 0.00 9 I 7.73 3.68 1.78 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.30 0.85 0.00 0.00 10 D 7.56 4.59 0.00 2.46 2.45 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 11 V 7.47 3.59 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 0.76 0.00 0.00 0.94 0.00 0.00 12 N 7.58 4.28 0.00 3.19 2.83 0.00 0.00 7.11 7.48 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 13 G 9.06 3.70 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 0.00 0.00 0.00 14 D 8.45 4.60 0.00 2.77 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 15 G 9.58 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 16 A 8.61 5.38 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 17 V 8.91 4.54 1.67 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 1.03 0.00 0.00 0.72 0.00 0.00 18 S 8.09 5.24 0.00 3.84 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 19 Y 8.25 3.46 0.00 2.63 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 20 E 6.15 3.70 0.00 1.88 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 1.47 2.00 0.00 21 E 7.80 3.86 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 22 V 7.73 3.67 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.63 0.00 0.00 23 K 8.08 3.86 0.00 2.12 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.18 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.54 7.81 24 A 8.10 3.93 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 25 F 8.18 3.87 0.00 3.24 3.25 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 26 V 8.53 3.93 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.09 0.00 0.00 27 S 8.25 4.63 0.00 3.87 4.09 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 28 K 8.27 3.88 0.00 1.91 1.81 0.00 1.63 0.00 0.00 1.50 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.47 7.81 29 K 8.32 4.22 0.00 1.96 1.71 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.66 7.81 30 R 7.63 4.58 0.00 1.83 1.79 0.00 3.31 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 31 A 8.12 5.57 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 32 I 7.46 4.21 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 0.80 0.92 0.00 0.00 33 K 7.84 3.89 0.00 2.06 1.95 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.42 7.81 34 N 8.11 4.50 0.00 2.98 3.12 0.00 0.00 5.99 7.69 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 35 E 8.15 3.97 0.00 2.24 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 0.00 2.38 2.39 0.00 36 Q 8.02 3.94 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 37 L 7.97 3.95 0.00 1.95 1.76 0.91 0.39 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 38 L 8.45 4.09 0.00 1.94 1.88 1.16 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.34 3.93 0.00 2.39 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.45 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 40 L 8.16 3.96 0.00 2.04 1.71 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.83 3.53 1.74 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.40 -0.23 0.00 0.00 42 F 9.18 4.19 0.00 3.39 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 43 K 8.22 4.31 0.00 2.19 1.96 0.00 1.88 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.65 7.81 44 S 8.05 4.22 0.00 4.01 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 45 I 7.84 4.05 1.92 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 1.57 0.91 0.92 0.00 0.00 46 D 8.59 4.35 0.00 2.60 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 47 A 8.37 4.16 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 48 D 8.10 4.41 0.00 2.80 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 49 G 8.15 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 50 N 8.42 4.50 0.00 2.95 3.12 0.00 0.00 6.22 7.44 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 51 G 9.78 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 52 E 7.68 5.44 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 2.42 2.42 0.00 53 I 8.86 4.98 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.72 0.75 0.00 0.00 54 D 8.54 5.45 0.00 2.83 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.37 2.52 0.00 1.87 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 56 N 8.17 4.39 0.00 2.81 2.84 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 57 E 9.11 3.93 0.00 2.14 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 2.32 2.68 0.00 58 F 8.38 4.05 0.00 2.86 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 0.00 0.00 0.00 59 A 8.39 3.83 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 60 K 8.22 4.02 0.00 1.85 1.79 0.00 1.50 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 61 F 8.26 3.85 0.00 3.17 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 62 Y 7.76 4.18 0.00 2.88 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 63 G 7.85 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 0.00 0.00 0.00 0.00 64 S 8.25 4.68 0.00 3.78 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 65 I 7.60 4.25 1.84 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 1.24 0.46 0.87 0.00 0.00 66 Q 7.77 4.46 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.18 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 67 G 8.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.50 4.63 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 69 D 8.20 4.48 0.00 2.59 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 70 L 7.51 4.16 0.00 1.72 1.69 0.92 0.88 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 71 S 8.12 4.12 0.00 3.85 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 72 D 8.21 4.33 0.00 2.78 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 73 D 8.62 4.19 0.00 2.98 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 74 K 7.88 4.13 0.00 1.89 1.85 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.66 7.81 75 I 8.00 3.78 2.08 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 1.70 0.79 0.92 0.00 0.00 76 G 7.54 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 77 L 7.65 4.03 0.00 1.83 1.89 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.39 3.87 0.00 2.12 1.91 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.51 7.81 79 V 8.35 3.58 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 0.90 0.00 0.00 1.03 0.00 0.00 80 L 8.06 3.87 0.00 2.10 1.77 0.99 0.64 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 81 Y 8.70 3.74 0.00 3.13 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 82 K 8.11 4.01 0.00 1.84 2.04 0.00 1.87 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.60 7.81 83 L 8.04 4.02 0.00 1.76 1.59 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 84 M 7.65 3.68 0.00 1.00 1.60 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.84 0.00 85 D 7.17 4.56 0.00 2.48 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 4.40 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 0.82 0.00 0.00 1.10 0.00 0.00 87 D 8.51 4.58 0.00 2.81 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 88 G 8.96 4.28 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 0.00 89 D 7.98 4.54 0.00 2.75 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 90 G 9.59 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 9.16 4.94 0.00 1.94 1.79 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.68 7.81 92 L 9.21 5.26 0.00 1.37 1.32 -0.15 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.06 4.82 3.78 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 1.27 0.00 0.00 94 K 8.18 3.94 0.00 1.96 2.06 0.00 1.14 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.37 7.81 95 E 7.82 3.86 0.00 1.89 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 2.32 2.24 0.00 96 E 8.43 3.85 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 2.44 2.32 0.00 97 V 8.23 3.54 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 1.07 0.00 0.00 0.76 0.00 0.00 98 T 8.17 4.19 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 99 S 7.99 4.06 0.00 4.04 3.69 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 0.00 0.00 0.00 100 F 8.30 4.17 0.00 3.08 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 0.00 101 F 8.78 4.64 0.00 3.20 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 0.00 102 K 8.42 3.65 0.00 2.06 2.05 0.00 1.56 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.58 7.81 103 K 7.55 3.98 0.00 2.10 1.96 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.47 7.81 104 H 8.96 4.48 0.00 3.24 3.48 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.64 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 0.00 106 I 7.65 4.12 1.91 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 1.29 1.35 0.67 0.00 0.00 107 E 8.04 3.91 0.00 2.04 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 2.43 2.42 0.00 108 K 8.15 3.75 0.00 1.83 1.78 0.00 1.63 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.73 7.81 109 V 7.97 3.58 1.55 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 0.40 0.00 0.00 0.45 0.00 0.00 110 A 8.36 4.06 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 0.00 111 E 7.94 3.89 0.00 2.05 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 2.39 2.37 0.00 112 Q 8.64 3.99 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 113 V 8.33 3.59 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 1.10 0.00 0.00 1.13 0.00 0.00 114 M 8.02 4.10 0.00 2.04 2.38 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 2.64 2.58 0.00 115 K 8.41 4.18 0.00 2.03 1.92 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.48 7.81 116 A 7.95 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.83 4.16 0.00 2.94 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 0.00 118 A 7.67 4.09 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.24 4.25 0.00 3.01 2.98 0.00 0.00 7.17 7.70 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 0.00 120 G 8.50 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 0.00 121 D 8.15 4.70 0.00 2.90 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 0.00 122 G 8.53 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 0.00 123 Y 9.27 5.04 0.00 2.90 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 0.00 124 I 9.10 4.83 1.93 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 1.34 0.71 1.04 0.00 0.00 125 T 8.23 5.04 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 1.26 0.00 0.00 126 L 8.31 3.42 0.00 1.83 1.90 0.90 1.01 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 0.00 127 E 8.09 3.95 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 128 E 8.28 4.02 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 129 F 7.92 4.24 0.00 2.74 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 0.00 130 L 8.18 4.04 0.00 1.71 1.72 0.92 0.81 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 0.00 131 E 8.33 3.93 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 132 F 8.30 4.09 0.00 3.12 3.21 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 0.00 133 S 8.13 4.20 0.00 3.99 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 0.00 134 L 7.31 4.07 0.00 1.60 1.72 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00