NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4809 8.3049 120.3305 55.4912 33.1977 174.3672 2 M 4.4777 8.5832 123.6277 52.9388 34.3715 170.1737 3 V 4.3897 8.3074 122.1521 60.7850 34.3517 174.0996 4 W 4.6444 8.9419 135.0000 57.4760 31.1789 175.2917 5 T 4.1910 8.1083 123.9386 61.4137 67.0181 172.6560 6 P 4.5733 0.0000 0.0000 63.3183 32.2785 175.8320 7 V 4.3061 7.2336 118.1774 61.0098 34.0556 174.7165 8 N 4.7107 8.4983 122.8981 52.4370 38.1773 174.9113 9 N 5.0665 8.2690 124.4048 52.7014 39.8532 174.5900 10 K 4.0324 8.2996 115.8756 56.5723 32.6529 176.5810 11 M 4.9473 8.3201 121.3977 54.0740 35.0673 175.5686 12 F 4.6244 8.2166 116.2664 57.2244 41.0103 176.0420 13 E 3.4737 8.4096 122.3930 57.1967 28.0152 175.5001 14 T 3.8928 8.3538 121.9379 66.4999 68.8543 174.2661 15 F 4.5595 9.0665 124.4138 57.5213 36.7367 176.4814 16 S 4.4441 8.2180 114.8208 60.5481 62.9386 174.5481 17 Y 4.3849 8.2779 117.1907 58.2020 38.1991 175.1925 18 L 4.6608 7.5648 120.3058 52.3535 43.3792 174.6796 19 P 4.4580 0.0000 0.0000 61.8681 31.8248 174.9348 20 P 4.2787 0.0000 0.0000 62.9149 31.7465 176.4709 21 L 4.0122 8.3139 122.8189 54.6817 42.2205 177.9101 22 T 4.2123 8.1890 113.8046 61.2216 71.0076 175.3070 23 D 4.3348 8.5488 121.1173 57.5939 40.8131 178.7380 24 E 3.9208 8.1047 119.2377 59.3791 29.8185 178.7942 25 Q 3.9181 8.0092 118.1346 58.7931 28.7148 178.6692 26 I 3.7129 8.0326 120.8906 64.4397 37.1435 178.2363 27 A 4.0297 8.3684 121.6537 55.2295 18.1706 179.4933 28 A 3.9569 8.1414 119.1619 55.4713 18.4331 179.9370 29 Q 4.1081 7.9946 116.2455 59.0534 28.7901 179.0880 30 V 3.7361 8.2104 119.4364 66.1345 31.6146 177.6685 31 D 4.4241 8.4585 118.8848 57.7069 40.5436 178.2908 32 Y 4.2018 8.1791 119.8453 60.6110 38.7887 177.9900 33 I 3.8130 7.9502 120.7706 64.6049 37.3323 178.5995 34 V 3.5054 7.8504 118.5858 65.9465 31.1689 177.7491 35 A 3.9121 8.1865 119.7205 54.7889 18.2356 178.3798 36 N 4.1224 7.0980 111.8270 52.0254 38.7007 175.6149 37 G 3.7871 7.3898 108.2316 46.1905 0.0000 174.1804 38 W 4.9406 7.4557 118.7798 56.0556 30.6851 176.3452 39 I 4.3701 8.8470 123.1797 59.5328 37.8337 174.0291 40 P 4.8996 0.0000 0.0000 62.9076 32.7239 175.2009 41 C 4.9917 8.9447 121.6687 58.3559 35.6389 172.4277 42 L 5.3397 8.7510 123.7212 53.1898 44.5368 175.2060 43 E 5.6281 9.2378 121.0988 54.9532 34.1273 174.5678 44 F 5.5925 9.1257 116.2005 56.0268 42.1015 172.9383 45 A 4.4886 8.2131 119.7805 50.3538 22.6039 176.2963 46 E 4.2738 8.5854 118.7485 55.6613 30.7839 177.6254 47 A 4.2611 8.8772 123.0056 55.8822 18.4004 179.9150 48 D 4.5186 8.1542 113.4302 56.5002 41.0540 177.2636 49 K 4.6065 7.9779 117.2801 56.0566 32.4889 176.9334 50 A 3.8821 7.6777 124.4951 53.8965 18.8468 178.3647 51 Y 4.7420 7.4506 111.6361 55.4405 40.2766 175.9554 52 V 3.8199 8.4177 122.3567 62.6866 31.6148 175.4514 53 S 4.7549 8.9959 116.7737 57.4148 66.3889 173.7657 54 N 5.2891 8.5582 114.1212 52.6421 39.5575 176.4053 55 E 3.9951 8.2993 119.4784 59.7025 29.4449 179.1518 56 S 3.9568 8.8150 115.6724 60.7231 62.8390 176.0829 57 A 2.5800 7.6438 123.3079 53.7332 17.7386 179.0723 58 I 3.5770 6.9514 116.8113 63.7061 38.0095 177.0919 59 R 4.2609 7.4806 116.4315 55.5900 30.5093 176.0746 60 F 5.1763 7.1483 118.0901 55.6421 41.5742 177.8126 61 G 4.0259 8.2745 116.0380 46.1570 0.0000 175.0959 62 S 4.6025 8.4485 113.4529 59.0170 62.4424 174.5503 63 V 4.4167 7.3446 107.6077 61.1760 32.9963 177.5347 64 S 4.4859 8.1838 114.6819 59.2964 63.5753 173.3487 65 C 3.9391 8.0892 119.0172 61.5995 27.9268 173.1943 66 L 3.5699 8.4182 123.3381 55.6110 38.9696 173.2256 67 Y 4.3273 7.6642 119.5819 55.9172 39.9299 174.5739 68 Y 4.8839 7.1369 123.3667 56.3151 42.3492 174.7444 69 D 4.5060 8.8573 123.3656 55.3853 41.6949 176.9489 70 N 4.6000 8.8992 116.5058 54.1806 35.9803 176.0420 71 R 3.9548 7.9656 118.6856 59.2984 30.3961 177.1409 72 Y 4.3717 7.7031 114.5980 57.9063 38.3777 175.1483 73 W 5.0695 8.6543 124.0538 55.3560 32.6694 174.5727 74 T 4.2690 8.1861 117.3167 62.7290 69.3635 174.6317 75 M 4.6080 8.5260 126.7152 55.3126 33.1497 175.1740 76 W 4.8112 9.5879 135.0000 56.4173 31.4000 176.9064 77 K 3.4285 8.5532 128.5336 57.4966 30.8711 178.1472 78 L 4.9265 8.2983 124.0447 52.6450 45.1790 174.0003 79 P 4.3121 0.0000 0.0000 63.5519 32.2438 177.5784 80 M 4.2914 8.7220 123.5807 53.4741 30.4657 175.7440 81 F 4.4468 7.2878 118.1290 59.0984 39.9746 176.6218 82 G 3.9955 9.1409 112.6452 45.4976 0.0000 173.0842 83 C 4.2636 7.9143 120.8560 59.7560 31.7493 173.2016 84 R 4.5675 8.6265 124.2560 55.5342 31.4652 174.4822 85 D 4.7724 7.8130 117.9960 51.3361 42.8437 174.2635 86 P 4.3297 0.0000 0.0000 66.0435 31.2281 178.4600 87 M 4.1070 8.2747 117.4411 58.3125 31.7865 178.5221 88 Q 3.9704 8.1566 119.3953 59.1035 29.2172 178.5401 89 V 3.5955 7.7603 118.6764 66.1132 31.7496 177.7741 90 L 4.0089 7.9656 118.6659 57.9624 41.4037 179.7903 91 R 3.9693 8.4055 118.3343 59.3041 29.9306 179.0101 92 E 4.1014 8.3348 118.5006 59.2602 29.4508 179.2847 93 I 3.5085 7.8647 120.0254 64.3239 37.2036 178.5156 94 V 3.4721 7.6381 118.4841 65.9683 31.3771 177.9359 95 A 3.9492 8.0482 120.5172 55.1189 18.2101 179.1953 96 C 2.0000 7.6626 117.6877 62.0702 31.0714 176.0170 97 T 3.6986 7.5057 111.1968 64.3288 67.9546 176.4041 98 K 3.8116 7.6555 121.7763 59.3582 32.3361 178.4624 99 A 3.9655 7.6164 119.8262 53.5405 19.9619 177.6458 100 F 4.7237 7.7898 115.5049 55.0631 39.0905 174.0549 101 P 4.4107 0.0000 0.0000 64.2677 31.8231 177.8388 102 D 4.6511 8.0419 116.4794 53.8964 41.3949 175.6167 103 A 4.7001 7.4211 120.9661 50.6722 20.8792 177.1323 104 Y 4.1875 8.5805 117.9748 57.9248 39.3989 175.3160 105 V 5.2664 9.0011 123.3563 61.1320 35.2752 174.2507 106 R 4.9753 9.5199 123.9552 54.2449 32.9387 173.9146 107 L 4.7760 8.0481 123.8169 54.1520 43.7049 175.7374 108 V 4.8258 8.6641 118.2481 59.5571 36.5799 174.1030 109 A 4.8773 8.0517 121.5740 50.5067 22.8059 175.1693 110 F 5.2063 9.0123 119.8016 55.7541 42.4305 174.1897 111 D 5.3117 8.8393 122.9663 52.7597 42.2486 176.6946 112 N 4.7195 9.1545 123.0816 54.3734 38.3790 176.3829 113 Q 4.1794 8.7080 118.8360 58.9109 28.9850 177.4843 114 K 4.0462 8.3985 114.1036 56.7888 33.0384 176.4928 115 Q 3.3886 8.0614 118.6409 55.9115 27.0800 172.8295 116 V 4.5072 7.8068 117.2931 60.0290 35.0340 174.1541 117 Q 4.2939 8.7917 123.3556 56.6837 29.2735 175.6349 118 I 4.2551 8.2110 124.4793 61.1138 39.9054 174.2834 119 M 4.6151 6.7103 117.5212 54.2260 34.5321 173.6574 120 G 4.9017 8.2337 108.4140 47.3205 0.0000 172.1314 121 F 5.0306 7.0932 115.9060 55.3551 41.1459 172.7390 122 L 4.5619 8.7987 122.5890 55.4620 41.9915 176.7371 123 V 4.4921 8.9249 118.2084 61.4888 34.2139 175.7742 124 Q 4.5536 7.8062 121.2951 54.3099 32.4168 173.4029 125 R 4.2816 8.1029 121.9384 52.8593 32.5805 173.6353 126 P 4.1479 0.0000 0.0000 62.8218 31.5757 177.4538 127 K 4.1875 8.4498 119.9671 59.0849 32.8247 178.0516 128 S 4.2642 7.9730 113.0436 59.6970 63.5084 174.3360 129 A 4.3181 7.7843 125.8776 52.6742 18.3825 177.2734 130 R 4.6981 8.7432 118.2609 55.9556 30.5614 175.0330 131 D 5.2469 8.8567 115.6641 52.4865 39.7196 175.3616 132 W 5.6020 7.7418 114.8459 55.4574 31.3528 173.8681 133 Q 4.3085 8.4308 117.5266 52.8878 31.2524 174.1842 134 P 4.5150 0.0000 0.0000 62.3545 31.8596 177.0022 135 A 3.9865 8.8720 122.7837 55.5696 18.2026 179.0606 136 N 4.7217 8.0537 109.2396 53.4511 37.7380 175.4159 137 K 4.4378 7.7105 117.0482 56.3729 33.0906 177.3680 138 R 3.5709 7.5764 119.7094 57.8121 30.1249 176.6261 139 S 5.0434 7.4317 110.3080 56.3398 66.1179 174.2435 140 V 3.9870 8.6043 114.6216 61.7570 32.2203 175.6065 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 8.30 4.48 0.00 2.05 2.11 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 2.52 2.59 0.00 2 M 8.58 4.48 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 3 V 8.31 4.39 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 1.10 0.00 0.00 0.97 0.00 0.00 4 W 8.94 4.64 0.00 3.47 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 5 T 8.11 4.19 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 1.12 0.00 0.00 6 P 0.00 4.57 0.00 2.23 2.19 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 7 V 7.23 4.31 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 0.79 0.00 0.00 0.91 0.00 0.00 8 N 8.50 4.71 0.00 2.78 2.77 0.00 0.00 6.37 6.92 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 9 N 8.27 5.07 0.00 2.67 2.68 0.00 0.00 7.26 6.68 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 10 K 8.30 4.03 0.00 1.99 1.56 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.39 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.33 1.45 7.81 11 M 8.32 4.95 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.67 0.00 12 F 8.22 4.62 0.00 3.11 3.05 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 13 E 8.41 3.47 0.00 2.14 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 2.15 0.00 14 T 8.35 3.89 4.22 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 0.20 0.00 0.00 15 F 9.07 4.56 0.00 3.27 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.22 4.44 0.00 4.14 4.22 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 17 Y 8.28 4.38 0.00 3.05 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 18 L 7.56 4.66 0.00 1.82 1.60 0.81 1.10 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 19 P 0.00 4.46 0.00 2.04 2.02 0.00 3.72 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 2.04 2.15 0.00 20 P 0.00 4.28 0.00 2.06 2.02 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 21 L 8.31 4.01 0.00 1.58 1.48 0.33 0.56 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 22 T 8.19 4.21 4.22 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 1.19 0.00 0.00 23 D 8.55 4.33 0.00 2.70 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 24 E 8.10 3.92 0.00 2.02 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 2.35 2.39 0.00 25 Q 8.01 3.92 0.00 2.28 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 8.03 3.71 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.74 1.09 0.00 0.00 27 A 8.37 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.14 3.96 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 29 Q 7.99 4.11 0.00 2.51 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.35 1.92 0.00 30 V 8.21 3.74 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 1.09 0.00 0.00 1.08 0.00 0.00 31 D 8.46 4.42 0.00 2.98 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.18 4.20 0.00 3.08 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 33 I 7.95 3.81 2.15 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.03 1.08 0.00 0.00 34 V 7.85 3.51 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 0.99 0.00 0.00 0.95 0.00 0.00 35 A 8.19 3.91 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 36 N 7.10 4.12 0.00 1.44 1.42 0.00 0.00 7.02 8.76 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 37 G 7.39 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 W 7.46 4.94 0.00 3.34 3.08 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 39 I 8.85 4.37 2.11 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.91 0.71 0.00 0.00 40 P 0.00 4.90 0.00 2.09 1.98 0.00 3.79 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.94 4.99 0.00 3.07 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 42 L 8.75 5.34 0.00 1.86 1.62 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.24 5.63 0.00 2.04 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 2.37 2.33 0.00 44 F 9.13 5.59 0.00 3.06 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 45 A 8.21 4.49 -0.21 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 46 E 8.59 4.27 0.00 2.18 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 2.29 2.27 0.00 47 A 8.88 4.26 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 48 D 8.15 4.52 0.00 2.70 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 49 K 7.98 4.61 0.00 1.50 1.69 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.43 7.81 50 A 7.68 3.88 0.49 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 51 Y 7.45 4.74 0.00 2.92 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 52 V 8.42 3.82 1.90 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 0.55 0.00 0.00 0.76 0.00 0.00 53 S 9.00 4.75 0.00 4.04 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 54 N 8.56 5.29 0.00 2.77 2.86 0.00 0.00 6.58 7.66 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 55 E 8.30 4.00 0.00 2.15 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 2.38 2.37 0.00 56 S 8.81 3.96 0.00 3.96 3.68 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 57 A 7.64 2.58 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 58 I 6.95 3.58 1.78 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 1.47 0.81 0.82 0.00 0.00 59 R 7.48 4.26 0.00 1.79 1.97 0.00 3.17 0.00 0.00 3.18 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 60 F 7.15 5.18 0.00 3.02 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.27 4.03 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 0.00 0.00 0.00 62 S 8.45 4.60 0.00 3.86 3.86 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 0.00 0.00 0.00 63 V 7.34 4.42 1.82 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 0.66 0.00 0.00 0.45 0.00 0.00 64 S 8.18 4.49 0.00 4.16 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 0.00 65 C 8.09 3.94 0.00 2.95 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.42 3.57 0.00 1.77 1.75 0.94 0.98 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 67 Y 7.66 4.33 0.00 2.94 3.06 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 0.00 0.00 0.00 68 Y 7.14 4.88 0.00 2.79 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 69 D 8.86 4.51 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.90 4.60 0.00 3.07 3.24 0.00 0.00 6.99 7.66 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 71 R 7.97 3.95 0.00 1.53 1.70 0.00 3.10 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 72 Y 7.70 4.37 0.00 3.05 2.86 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 0.00 0.00 0.00 73 W 8.65 5.07 0.00 3.08 3.16 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 74 T 8.19 4.27 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 0.89 0.00 0.00 75 M 8.53 4.61 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.77 0.00 76 W 9.59 4.81 0.00 3.68 3.30 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 77 K 8.55 3.43 0.00 1.65 0.74 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.70 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.86 0.21 7.81 78 L 8.30 4.93 0.00 1.60 1.58 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.31 0.00 0.60 1.82 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.15 0.00 80 M 8.72 4.29 0.00 2.04 2.01 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 2.60 2.54 0.00 81 F 7.29 4.45 0.00 3.11 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 82 G 9.14 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 83 C 7.91 4.26 0.00 3.03 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 84 R 8.63 4.57 0.00 1.80 1.86 0.00 3.22 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 85 D 7.81 4.77 0.00 2.71 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 P 0.00 4.33 0.00 2.22 2.13 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.27 4.11 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 88 Q 8.16 3.97 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.76 3.60 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 1.04 0.00 0.00 0.97 0.00 0.00 90 L 7.97 4.01 0.00 1.91 1.71 0.94 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 91 R 8.41 3.97 0.00 2.01 2.01 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 92 E 8.33 4.10 0.00 2.23 2.15 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 2.60 2.66 0.00 93 I 7.86 3.51 1.99 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 1.33 0.93 0.84 0.00 0.00 94 V 7.64 3.47 2.20 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 0.97 0.00 0.00 0.94 0.00 0.00 95 A 8.05 3.95 1.50 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 0.00 0.00 0.00 96 C 7.66 2.00 0.00 1.23 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 0.00 0.00 0.00 0.00 97 T 7.51 3.70 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 98 K 7.66 3.81 0.00 1.85 1.92 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.39 7.81 99 A 7.62 3.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 7.79 4.72 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.41 0.00 2.12 2.11 0.00 3.29 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.04 4.65 0.00 2.69 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 0.00 103 A 7.42 4.70 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 0.00 104 Y 8.58 4.19 0.00 2.51 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 9.00 5.27 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 0.88 0.00 0.00 0.86 0.00 0.00 106 R 9.52 4.98 0.00 1.83 1.91 0.00 2.34 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.35 0.00 107 L 8.05 4.78 0.00 1.52 0.79 0.89 0.68 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 0.00 108 V 8.66 4.83 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 0.47 0.00 0.00 0.42 0.00 0.00 109 A 8.05 4.88 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 9.01 5.21 0.00 3.00 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 0.00 111 D 8.84 5.31 0.00 2.35 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 0.00 0.00 0.00 0.00 112 N 9.15 4.72 0.00 2.93 3.05 0.00 0.00 6.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.71 4.18 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 114 K 8.40 4.05 0.00 1.75 1.86 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.45 7.81 115 Q 8.06 3.39 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 116 V 7.81 4.51 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 0.51 0.00 0.00 0.91 0.00 0.00 117 Q 8.79 4.29 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.20 1.91 0.00 118 I 8.21 4.26 1.23 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 -0.30 0.37 -0.58 0.00 0.00 119 M 6.71 4.62 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.81 0.00 120 G 8.23 4.90 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 0.00 121 F 7.09 5.03 0.00 3.22 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 0.00 122 L 8.80 4.56 0.00 1.55 1.58 0.67 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.92 4.49 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 0.64 0.00 0.00 0.89 0.00 0.00 124 Q 7.81 4.55 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 125 R 8.10 4.28 0.00 1.08 1.43 0.00 2.21 0.00 0.00 2.69 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.22 0.00 126 P 0.00 4.15 0.00 2.11 2.28 0.00 2.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 127 K 8.45 4.19 0.00 1.90 1.99 0.00 1.56 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.41 7.81 128 S 7.97 4.26 0.00 4.04 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 0.00 129 A 7.78 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.74 4.70 0.00 1.85 1.96 0.00 3.24 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 131 D 8.86 5.25 0.00 2.96 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 0.00 132 W 7.74 5.60 0.00 3.64 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 0.00 133 Q 8.43 4.31 0.00 1.87 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.02 0.00 134 P 0.00 4.52 0.00 2.31 2.09 0.00 3.39 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 135 A 8.87 3.99 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 0.00 136 N 8.05 4.72 0.00 2.83 2.93 0.00 0.00 5.83 7.13 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 0.00 137 K 7.71 4.44 0.00 1.57 1.67 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.39 7.81 138 R 7.58 3.57 0.00 1.42 0.66 0.00 3.10 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.57 0.00 139 S 7.43 5.04 0.00 4.07 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 0.00 140 V 8.60 3.99 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 0.60 0.00 0.00 0.94 0.00 0.00