NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7115 8.0544 120.2813 61.2103 32.5818 174.1638 2 E 4.2577 8.3024 124.6241 53.4525 31.3557 173.3478 3 W 5.0254 8.4564 126.8996 55.9143 31.6363 176.4987 4 T 4.4403 9.0098 113.6371 61.1125 70.8226 175.7777 5 D 4.3832 8.6424 121.9330 57.5525 40.8131 179.0904 6 K 3.9671 8.0466 119.5606 59.5311 32.3098 178.5301 7 E 4.0568 8.5797 119.0888 59.5732 29.3489 179.5086 8 R 3.6991 8.2484 118.1668 59.2002 30.1096 179.0971 9 S 4.0535 8.2518 112.9194 61.3304 62.3603 176.2680 10 I 3.7120 7.9461 122.5815 64.4595 36.9099 178.4146 11 I 3.7648 7.7652 120.5564 64.4565 36.8590 178.2911 12 S 4.0872 8.2321 114.1711 61.5048 61.9468 175.7982 13 D 4.4165 7.8647 120.6397 56.8826 41.1700 177.9310 14 I 3.7402 8.1360 120.7150 64.5253 36.8810 178.5270 15 F 4.0628 8.4028 118.6260 60.0553 38.5521 177.8792 16 S 4.3168 8.5483 113.9264 60.5091 62.6020 175.1593 17 H 4.8739 7.4846 117.6247 55.4313 28.9944 173.6677 18 M 3.9399 7.5201 120.6698 54.9601 32.4673 176.0552 19 D 4.6816 8.3285 126.0468 53.2077 40.5010 175.8185 20 Y 3.9539 8.6670 124.4953 60.7100 38.1997 178.1364 21 D 4.6709 7.9373 117.0399 55.7473 41.2721 177.7314 22 D 4.4666 8.2985 118.8480 57.2003 41.4641 178.0588 23 I 3.8169 7.9513 120.5453 64.3003 37.2329 178.0498 24 G 3.8594 7.9540 106.0847 48.0242 0.0000 173.6543 25 P 4.3041 0.0000 0.0000 64.8942 31.4878 179.0460 26 K 3.9503 7.8380 116.5025 59.2080 31.9120 179.4020 27 A 3.9860 8.4134 121.6508 54.9400 18.2619 179.5131 28 L 3.8838 7.8756 118.7721 58.3632 42.3271 179.2050 29 S 4.0094 8.1909 115.3056 61.7211 62.7626 176.8198 30 R 3.8377 8.0880 121.2986 59.3409 29.7221 178.0630 31 C 4.1609 8.2129 118.6520 62.5660 31.5971 175.6490 32 L 3.8541 8.1298 120.5365 57.1855 40.8335 179.6198 33 I 3.6103 7.1775 118.9830 64.3148 37.3875 178.2417 34 V 3.4774 7.7447 117.8931 64.5780 32.8180 175.7176 35 Y 3.9304 7.5178 115.5331 54.6506 38.1157 174.1860 36 P 4.9232 0.0000 0.0000 63.5209 31.9617 177.8006 37 W 4.3658 7.6987 115.9197 59.1571 28.1593 177.8944 38 T 4.0979 7.5000 110.7924 64.1835 68.0654 175.8694 39 Q 4.3228 8.0461 120.8110 57.4848 28.3910 177.7821 40 R 3.9055 7.7519 120.1456 59.0652 29.8660 176.8332 41 H 4.7049 7.1144 112.7508 54.9210 29.6166 174.7694 42 F 4.2689 7.5577 118.0021 57.2710 41.1425 177.3367 43 S 4.1256 8.4835 117.1421 61.6666 62.9621 176.3307 44 G 4.0217 8.2066 107.6939 46.3105 0.0000 174.0244 45 F 4.1169 8.5268 118.9540 58.2801 38.9912 173.7761 46 G 3.7498 7.2221 104.3039 43.3118 0.0000 172.8284 47 N 4.6463 8.6937 118.2853 53.8188 38.3216 174.2225 48 L 4.6982 8.5937 125.9632 54.9124 42.1896 177.4005 49 Y 4.3398 9.0589 119.4213 55.4951 36.4843 172.9703 50 N 4.6408 8.0119 124.4124 51.9320 41.2748 175.3251 51 A 3.9370 8.3079 128.0657 55.3583 18.6718 179.5940 52 E 3.8621 8.3338 116.5025 59.9228 29.3102 179.5007 53 A 4.0534 8.3492 119.3273 54.9876 18.6253 179.5043 54 I 3.9154 7.5114 118.2758 64.4237 37.2939 178.6189 55 I 3.8264 7.7972 118.7721 63.5899 37.0561 177.3424 56 G 3.7135 7.8864 107.8018 46.2447 0.0000 173.4719 57 N 4.7047 8.0889 119.7472 52.4492 40.1578 175.0504 58 A 4.2003 8.5184 129.6989 54.1644 19.0129 178.7790 59 N 4.1305 8.1447 115.2516 56.3427 38.5311 177.3740 60 V 3.6711 8.3945 119.4664 65.9937 31.6358 177.8237 61 A 3.9869 8.2266 120.3123 55.2763 18.2272 179.5153 62 A 4.0184 8.2761 119.3045 55.5606 18.4514 179.3802 63 H 4.3737 8.6955 117.0481 59.3169 29.9418 177.7975 64 G 3.6887 8.4883 108.0417 47.7923 0.0000 175.8563 65 I 3.8973 7.9533 122.2383 63.9412 37.2554 178.4033 66 K 3.9931 8.1329 120.5817 59.6451 31.8557 179.1079 67 V 3.7083 7.7646 117.2956 65.8877 31.7952 177.4050 68 L 4.2700 8.1876 120.2228 58.4552 41.9188 178.3575 69 H 4.8292 8.6620 115.5914 57.6674 28.5752 177.5095 70 G 3.8536 7.8991 106.7457 47.3866 0.0000 175.2013 71 L 4.6095 8.0448 122.1956 56.7273 41.6860 178.8105 72 D 4.3390 8.3275 119.8336 57.3642 40.5429 178.9354 73 R 4.0273 8.0356 115.1082 59.0751 29.7590 178.6292 74 G 4.0043 8.2959 106.0959 47.4140 0.0000 176.0000 75 V 3.3429 7.7419 119.4262 65.5240 31.6355 177.3113 76 K 4.1614 7.8956 117.2859 57.3348 33.2518 176.0526 77 N 5.1537 7.8331 115.5851 53.1074 39.1302 175.8898 78 M 4.2455 8.0619 117.8124 57.9896 32.6588 177.7137 79 D 5.0879 8.1459 116.1846 54.1051 41.6148 175.6602 80 N 5.1729 8.4160 118.9269 52.5856 39.7734 176.8206 81 I 3.9195 8.2620 119.7529 64.1345 37.3017 177.1673 82 A 4.0024 8.1373 119.7818 55.5153 18.5579 179.1375 83 A 4.1112 8.0110 118.4026 55.5978 18.3005 179.7109 84 T 3.7894 7.8984 113.4563 66.3856 68.6117 175.3506 85 Y 4.3568 7.8680 116.2117 57.7435 38.0720 177.2948 86 A 4.0593 7.8038 124.7217 55.4496 18.4718 180.1116 87 D 4.3030 8.0148 116.9023 57.5165 40.9951 178.8659 88 L 4.1178 7.8991 119.0414 57.5188 41.6094 179.4134 89 S 4.2714 8.4147 113.5594 61.8357 62.4470 176.2736 90 T 3.7405 8.0590 118.5281 66.4156 68.0761 176.3702 91 L 3.8891 7.9206 122.2115 58.6273 42.2070 178.8892 92 H 4.1884 8.4476 116.0849 58.5159 28.5922 177.9291 93 S 3.5194 7.9934 115.1834 61.0392 62.0202 175.5633 94 E 4.2112 8.2653 118.8806 56.9821 29.9107 177.8680 95 K 4.2121 7.7149 116.9032 58.0691 33.2948 177.9058 96 L 4.2673 7.7960 116.5479 54.0681 42.5148 176.2194 97 H 4.1980 7.3438 114.1494 56.6218 26.6634 175.0906 98 V 3.7192 7.8165 118.6950 61.7820 32.3463 174.8290 99 D 4.3310 8.6360 127.3553 53.4777 41.5453 175.0168 100 P 2.9700 0.0000 0.0000 64.5789 31.8189 177.7989 101 D 4.2239 8.3101 119.1014 57.4244 40.8304 177.8559 102 N 4.4024 7.9897 116.8252 55.9887 38.3706 177.2813 103 F 4.4754 7.6391 119.6479 60.4649 38.9246 177.7388 104 K 4.0050 8.0202 117.7226 59.3816 31.9284 179.2819 105 L 3.7658 7.6785 118.9181 57.6135 41.5081 179.3150 106 L 4.0428 8.3605 120.7353 58.1535 41.9308 178.9156 107 S 4.1985 8.3088 115.2637 62.0469 62.8284 176.5937 108 D 4.4578 8.3507 121.2576 57.5824 40.4790 178.7070 109 C 4.2360 8.1914 117.3119 62.7160 28.0756 176.0928 110 I 3.7318 8.3823 121.8056 64.7149 36.6646 178.3413 111 T 4.0673 8.3526 116.7570 67.1099 68.3831 176.7029 112 I 3.6590 7.9076 121.4132 64.1611 37.0892 178.7687 113 V 3.4527 8.1262 119.6381 65.8084 31.2924 177.7896 114 L 3.5903 8.0443 120.2818 57.9682 41.7063 178.7977 115 A 3.0534 7.5403 120.6734 54.7539 17.9896 179.5011 116 A 3.8299 7.5076 118.4374 55.0299 18.4785 179.5146 117 K 3.9505 7.7582 117.4253 59.7766 32.7078 178.6464 118 M 4.1530 8.3535 119.0058 55.9989 32.3878 177.5592 119 G 3.7618 8.7841 108.3567 46.5111 0.0000 176.3631 120 H 4.1103 9.0078 121.8764 58.5547 29.8965 176.1304 121 A 4.0712 7.6737 120.5844 54.0821 18.6524 178.0509 122 F 4.4445 7.8986 120.3106 57.1468 37.7524 175.0214 123 T 4.0910 7.3089 116.1805 60.4461 71.3133 175.1131 124 A 3.8796 8.3397 122.2540 55.4719 18.2797 179.4587 125 E 3.8445 7.9947 117.1433 59.4212 29.7347 179.0430 126 T 3.7531 7.7144 115.9843 66.5585 68.4457 176.2211 127 Q 3.6790 7.8544 121.8767 59.0320 28.8278 178.7380 128 G 3.6649 8.2784 106.5234 47.9243 0.0000 175.5384 129 A 4.1981 8.1097 123.6234 54.7209 18.4086 179.5825 130 F 4.3233 8.5720 119.2983 61.7437 39.4906 177.5405 131 Q 4.0526 8.8021 118.1455 58.5342 28.4545 178.6324 132 K 3.9334 8.5559 121.2407 59.4630 32.2719 178.5441 133 F 4.5885 8.6756 120.9094 61.6237 39.3827 177.0763 134 L 3.5916 8.0456 118.3079 57.4981 41.2800 179.4026 135 A 3.9305 8.1784 121.0375 55.1279 18.3921 179.9083 136 V 3.4274 7.7761 116.7876 65.9859 31.4966 178.5233 137 V 3.0052 7.4678 118.1513 65.5516 31.0174 178.0905 138 V 3.3264 7.7030 117.3978 66.0406 31.5983 177.5977 139 S 4.1561 8.1260 112.6095 61.3043 62.2026 175.9923 140 A 3.9975 7.7626 123.3088 55.1606 17.9118 179.5946 141 L 4.0442 7.8469 116.6349 56.7831 41.7452 178.8227 142 G 3.9835 7.6974 103.9632 44.8654 0.0000 175.5420 143 K 4.0660 7.7218 121.5729 59.1712 32.2942 177.1125 144 Q 4.3322 8.0348 115.5715 55.7735 28.8055 175.0322 145 Y 4.0913 7.8618 117.8556 58.0894 38.2466 175.5690 146 H 4.6515 8.5779 121.1421 56.0950 29.8656 173.2268 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 3.71 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 -0.40 0.00 0.00 2 E 8.30 4.26 0.00 1.88 1.78 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 2.16 2.46 0.00 3 W 8.46 5.03 0.00 3.36 3.09 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 4 T 9.01 4.44 4.31 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 1.27 0.00 0.00 5 D 8.64 4.38 0.00 2.74 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 6 K 8.05 3.97 0.00 1.89 1.85 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.62 7.81 7 E 8.58 4.06 0.00 2.51 2.38 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 2.55 2.50 0.00 8 R 8.25 3.70 0.00 2.03 1.89 0.00 3.15 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.79 0.00 9 S 8.25 4.05 0.00 3.89 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 10 I 7.95 3.71 2.04 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 1.52 0.59 0.95 0.00 0.00 11 I 7.77 3.76 1.59 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 1.48 0.85 0.37 0.00 0.00 12 S 8.23 4.09 0.00 3.86 4.01 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 13 D 7.86 4.42 0.00 2.87 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 14 I 8.14 3.74 1.90 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 1.38 1.30 0.25 0.00 0.00 15 F 8.40 4.06 0.00 3.05 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 16 S 8.55 4.32 0.00 3.99 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 17 H 7.48 4.87 0.00 3.05 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 M 7.52 3.94 0.00 1.56 1.56 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.93 0.00 19 D 8.33 4.68 0.00 2.79 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 20 Y 8.67 3.95 0.00 3.08 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 21 D 7.94 4.67 0.00 2.73 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 22 D 8.30 4.47 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 23 I 7.95 3.82 1.72 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.57 0.79 0.00 0.00 24 G 7.95 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 0.00 0.00 0.00 25 P 0.00 4.30 0.00 2.17 2.13 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 26 K 7.84 3.95 0.00 2.00 1.81 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.49 7.81 27 A 8.41 3.99 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 28 L 7.88 3.88 0.00 1.82 1.64 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.19 4.01 0.00 3.91 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 30 R 8.09 3.84 0.00 1.94 2.05 0.00 3.06 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 31 C 8.21 4.16 0.00 3.20 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 32 L 8.13 3.85 0.00 1.71 1.55 0.55 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.18 3.61 1.87 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 1.33 0.46 0.81 0.00 0.00 34 V 7.74 3.48 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 -0.19 0.00 0.00 0.74 0.00 0.00 35 Y 7.52 3.93 0.00 2.58 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 36 P 0.00 4.92 0.00 2.13 1.98 0.00 3.72 0.00 0.00 3.55 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 37 W 7.70 4.37 0.00 3.58 3.53 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 38 T 7.50 4.10 4.31 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 1.10 0.00 0.00 39 Q 8.05 4.32 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 40 R 7.75 3.91 0.00 1.95 1.77 0.00 3.21 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.62 0.00 41 H 7.11 4.70 0.00 2.52 2.72 0.00 5.67 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.56 4.27 0.00 2.67 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.48 4.13 0.00 4.07 4.15 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 44 G 8.21 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 45 F 8.53 4.12 0.00 3.25 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 46 G 7.22 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.69 4.65 0.00 2.77 2.85 0.00 0.00 6.78 7.78 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 48 L 8.59 4.70 0.00 1.68 1.57 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 9.06 4.34 0.00 2.98 2.94 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 50 N 8.01 4.64 0.00 2.90 2.89 0.00 0.00 6.97 7.67 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 51 A 8.31 3.94 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 52 E 8.33 3.86 0.00 2.36 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 2.40 2.35 0.00 53 A 8.35 4.05 1.45 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 0.00 0.00 54 I 7.51 3.92 1.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.83 0.00 0.00 55 I 7.80 3.83 1.85 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 1.19 0.75 0.89 0.00 0.00 56 G 7.89 3.71 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 0.00 0.00 0.00 57 N 8.09 4.70 0.00 3.11 2.84 0.00 0.00 6.96 7.78 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 58 A 8.52 4.20 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.14 4.13 0.00 2.88 1.90 0.00 0.00 6.79 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 60 V 8.39 3.67 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 0.96 0.00 0.00 0.95 0.00 0.00 61 A 8.23 3.99 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.28 4.02 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.70 4.37 0.00 3.83 3.64 0.00 5.79 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 64 G 8.49 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 0.00 0.00 0.00 65 I 7.95 3.90 2.10 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 1.68 0.86 1.11 0.00 0.00 66 K 8.13 3.99 0.00 1.90 2.00 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.50 7.81 67 V 7.76 3.71 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 0.97 0.00 0.00 1.02 0.00 0.00 68 L 8.19 4.27 0.00 2.06 1.87 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.66 4.83 0.00 3.42 3.31 0.00 5.68 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 70 G 7.90 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 0.00 0.00 0.00 71 L 8.04 4.61 0.00 2.15 1.97 1.32 1.15 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 72 D 8.33 4.34 0.00 2.80 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 73 R 8.04 4.03 0.00 1.76 1.93 0.00 2.21 0.00 0.00 2.79 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.96 0.00 74 G 8.30 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 75 V 7.74 3.34 1.94 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 0.61 0.00 0.00 -0.22 0.00 0.00 76 K 7.90 4.16 0.00 1.77 1.77 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.41 1.44 7.81 77 N 7.83 5.15 0.00 2.90 2.73 0.00 0.00 6.85 7.21 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 78 M 8.06 4.25 0.00 1.48 1.98 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.62 0.00 79 D 8.15 5.09 0.00 2.75 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 80 N 8.42 5.17 0.00 2.75 2.71 0.00 0.00 7.22 7.99 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 81 I 8.26 3.92 2.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.00 0.98 0.00 0.00 82 A 8.14 4.00 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 83 A 8.01 4.11 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 84 T 7.90 3.79 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 0.86 0.00 0.00 85 Y 7.87 4.36 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 86 A 7.80 4.06 1.42 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 87 D 8.01 4.30 0.00 2.76 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 88 L 7.90 4.12 0.00 1.96 1.83 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.41 4.27 0.00 4.13 4.06 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 90 T 8.06 3.74 4.36 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 1.22 0.00 0.00 91 L 7.92 3.89 0.00 1.77 1.85 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.45 4.19 0.00 3.56 3.80 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.99 3.52 0.00 2.72 3.40 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 0.00 0.00 0.00 0.00 94 E 8.27 4.21 0.00 1.96 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 2.24 2.21 0.00 95 K 7.71 4.21 0.00 1.84 1.79 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.41 7.81 96 L 7.80 4.27 0.00 1.67 1.62 0.72 0.95 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 97 H 7.34 4.20 0.00 3.50 3.42 0.00 5.65 0.00 0.00 0.00 0.00 8.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.82 3.72 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 0.44 0.00 0.00 0.71 0.00 0.00 99 D 8.64 4.33 0.00 2.69 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 0.00 100 P 0.00 2.97 0.00 1.95 1.60 0.00 3.46 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.04 0.00 101 D 8.31 4.22 0.00 2.69 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 0.00 102 N 7.99 4.40 0.00 2.73 2.84 0.00 0.00 6.91 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 0.00 103 F 7.64 4.48 0.00 3.03 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 0.00 104 K 8.02 4.00 0.00 1.88 1.83 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.51 7.81 105 L 7.68 3.77 0.00 1.61 0.97 0.90 0.30 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 0.00 106 L 8.36 4.04 0.00 1.82 1.77 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.31 4.20 0.00 4.14 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 0.00 108 D 8.35 4.46 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 C 8.19 4.24 0.00 3.23 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 0.00 110 I 8.38 3.73 2.18 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.90 1.19 0.00 0.00 111 T 8.35 4.07 4.60 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 112 I 7.91 3.66 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.71 0.88 0.00 0.00 113 V 8.13 3.45 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 0.90 0.00 0.00 0.95 0.00 0.00 114 L 8.04 3.59 0.00 1.38 1.13 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.54 3.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.51 3.83 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 0.00 117 K 7.76 3.95 0.00 1.63 1.79 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.40 7.81 118 M 8.35 4.15 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 119 G 8.78 3.76 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 0.00 0.00 0.00 120 H 9.01 4.11 0.00 3.10 3.40 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.67 4.07 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 0.00 122 F 7.90 4.44 0.00 2.85 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 0.00 123 T 7.31 4.09 4.15 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 1.15 0.00 0.00 124 A 8.34 3.88 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 0.00 125 E 7.99 3.84 0.00 2.02 1.91 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 2.36 2.40 0.00 126 T 7.71 3.75 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 1.10 0.00 0.00 127 Q 7.85 3.68 0.00 1.40 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 128 G 8.28 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.11 4.20 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 0.00 130 F 8.57 4.32 0.00 3.32 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 0.00 131 Q 8.80 4.05 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.76 0.00 132 K 8.56 3.93 0.00 1.95 2.25 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.40 1.35 7.81 133 F 8.68 4.59 0.00 3.25 3.26 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 0.00 134 L 8.05 3.59 0.00 1.59 1.56 0.82 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.18 3.93 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 0.00 136 V 7.78 3.43 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 1.01 0.00 0.00 0.88 0.00 0.00 137 V 7.47 3.01 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.03 0.00 0.00 138 V 7.70 3.33 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 0.88 0.00 0.00 0.93 0.00 0.00 139 S 8.13 4.16 0.00 3.86 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 0.00 140 A 7.76 4.00 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 0.00 141 L 7.85 4.04 0.00 1.14 0.70 0.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.70 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 0.00 0.00 0.00 143 K 7.72 4.07 0.00 1.96 1.90 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.51 7.81 144 Q 8.03 4.33 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.63 0.00 0.00 0.00 0.00 0.00 2.39 2.70 0.00 145 Y 7.86 4.09 0.00 2.99 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 0.00 146 H 8.58 4.65 0.00 3.10 3.12 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00