NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5925 8.1627 120.6219 55.1434 35.2122 173.9810 2 I 4.5886 7.7339 118.1647 60.0187 39.9257 169.5096 3 V 5.0697 9.5317 121.9263 60.0979 36.7514 173.5050 4 T 5.7459 8.2953 113.5316 61.2360 70.9593 172.7868 5 S 5.2386 8.7525 122.0511 56.8331 67.7806 172.8438 6 G 4.5187 9.5853 109.2581 44.4888 0.0000 172.8391 7 V 4.5660 8.6439 123.4934 60.9873 33.9767 173.8747 8 L 5.0287 8.7735 130.7322 53.2670 44.3069 175.1279 9 V 5.1109 8.5490 125.5737 61.1654 34.0431 174.5724 10 E 4.4308 9.2813 126.1109 56.3013 33.7938 175.1201 11 N 4.0235 9.4320 122.3115 54.7688 36.0691 174.0414 12 G 4.0487 7.9016 98.8168 46.2930 0.0000 172.5685 13 K 5.3419 7.8386 117.8679 54.3375 36.5806 175.9503 14 V 5.0559 9.1425 125.0253 60.0439 34.0489 174.7028 15 L 4.4558 8.7713 126.5684 54.4670 42.3704 175.7821 16 L 5.0328 8.9630 126.2172 53.0652 45.9369 176.0905 17 V 4.7136 8.4393 114.2928 59.3234 35.5522 174.6927 18 K 4.2568 8.1794 121.2313 55.5432 33.0283 176.8013 19 H 3.8681 9.3031 125.9343 56.3503 30.2376 175.6581 20 K 3.7407 8.5323 127.0813 59.1979 32.0729 177.0089 21 R 4.4791 7.9201 114.5443 57.1468 32.0664 177.0158 22 L 4.1781 8.4655 115.7468 55.1115 42.2334 177.5467 23 G 4.2544 8.3860 110.8889 45.8373 0.0000 174.9192 24 V 3.8674 7.3828 111.7538 61.7580 33.1105 175.4456 25 Y 4.6860 9.0126 121.4333 58.1468 39.0711 174.7143 26 I 4.7073 8.7397 123.1796 59.1049 42.3196 173.6154 27 Y 4.6236 6.8676 123.2228 55.9365 39.1898 173.6530 28 P 4.2453 0.0000 0.0000 62.5678 32.7540 176.6434 29 G 3.8597 7.5528 108.1826 47.6795 0.0000 172.2145 30 G 4.0254 7.7938 109.9330 45.1512 0.0000 171.4309 31 H 4.2834 8.4477 116.2962 56.5332 29.3191 175.4295 32 V 4.1339 8.1358 122.3081 61.7320 32.1366 175.6752 33 E 4.1859 9.5829 128.8112 56.5700 30.0526 177.8078 34 H 3.9819 9.4908 121.1698 59.3242 28.8318 176.1951 35 N 4.6319 8.1845 113.4123 53.7589 37.9358 174.1437 36 E 4.9964 8.7331 117.7042 53.9837 33.0230 174.9144 37 T 4.4610 9.0454 111.0961 60.6259 71.2809 173.9477 38 P 4.2953 0.0000 0.0000 66.3084 30.8843 178.9631 39 I 3.4326 7.7366 117.8779 64.3614 37.0567 178.1678 40 E 4.0279 8.2114 119.2617 59.0539 29.2112 179.1838 41 A 4.2458 8.6274 122.8712 54.6101 18.4940 180.0774 42 V 3.6566 8.0594 117.8898 64.9662 31.4686 178.7843 43 K 3.9618 7.7291 118.0934 59.0110 31.8440 179.1679 44 R 3.8700 8.0651 118.9193 59.5184 29.9958 178.2079 45 E 3.9523 8.4925 118.4437 59.5053 29.4766 179.1952 46 F 3.7578 8.2977 120.4444 61.6525 39.3609 176.0391 47 E 4.2354 8.3676 119.8326 58.8980 29.0528 178.4001 48 E 3.9486 8.6634 119.2722 59.9043 29.9461 179.5115 49 E 4.0681 8.6945 117.3812 58.5523 29.7503 177.9594 50 T 4.5188 7.9591 106.9512 59.2807 70.8381 175.8043 51 G 4.1414 8.7711 111.1185 44.8435 0.0000 172.8992 52 I 4.6670 7.7275 121.0161 60.6351 39.0820 174.9272 53 V 4.5525 9.7253 126.3830 61.6839 33.0245 175.1573 54 V 4.8511 8.1955 119.5931 59.4137 36.0049 174.2707 55 E 4.5256 8.8234 123.3551 53.5592 31.9350 173.5996 56 P 4.8248 0.0000 0.0000 62.9088 31.9978 175.6306 57 I 4.5830 8.9305 116.0989 59.0458 41.0674 175.1843 58 G 3.6560 7.7710 109.1766 45.7878 0.0000 172.0234 59 F 4.5383 7.4554 117.7761 57.7130 39.5211 174.8293 60 T 5.0246 8.0215 112.7842 60.8701 71.6086 172.9718 61 Y 4.3025 8.7416 119.4034 59.5659 38.7286 176.9688 62 G 4.2041 8.8736 107.4608 45.3451 0.0000 173.7509 63 I 3.8302 8.2900 121.8115 61.0836 37.5889 175.0541 64 I 4.5085 8.0867 120.4647 60.6151 40.9559 172.6089 65 D 4.6005 8.0832 125.9048 52.8854 41.8821 175.3946 66 E 4.0126 8.8999 117.5956 59.3863 29.4370 177.7739 67 N 4.6813 8.3153 114.2723 53.7595 39.9227 174.8231 68 A 4.5142 7.3920 118.0604 51.0265 22.5210 175.1766 69 V 4.8567 8.1211 119.7893 59.5623 34.0811 175.1451 70 E 4.2279 9.0045 126.0042 56.4297 30.1914 175.9809 71 R 4.8999 8.4025 124.2343 53.4194 32.9193 174.1808 72 P 4.6397 0.0000 0.0000 63.0207 32.2033 175.6309 73 M 4.3675 8.4361 122.3415 54.9669 32.7757 174.3004 74 P 4.1836 0.0000 0.0000 62.4012 32.0542 176.3246 75 L 4.2466 9.0270 124.3962 58.1586 42.4560 177.2553 76 V 4.4122 7.1332 115.1514 60.8223 34.5383 172.3756 77 I 4.6047 8.1901 122.0079 59.6621 39.8851 174.6854 78 L 4.5882 8.2069 126.9957 52.7957 44.7547 175.7417 79 E 4.7482 8.6777 124.4413 54.9535 29.7869 174.4961 80 E 4.4606 9.0609 127.0277 55.3971 31.5502 175.6266 81 V 4.5028 8.2508 123.3732 61.3209 33.3596 175.0288 82 V 4.0540 8.5866 128.4454 61.0440 33.5675 174.7263 83 K 4.5758 8.3242 128.5396 54.7577 32.5788 176.2814 84 Y 4.6996 8.1258 124.1520 55.4260 38.8405 173.9130 85 P 4.6664 0.0000 0.0000 63.8637 29.8024 175.8968 86 E 5.9800 8.3663 135.0000 55.4560 31.7310 178.5306 87 E 4.9942 6.5740 116.9545 58.9400 34.2533 175.4089 88 T 4.5663 7.4299 113.4051 64.2456 72.1619 172.3818 89 H 4.8423 8.4903 124.7013 54.7820 31.2483 174.5766 90 I 4.9073 8.2933 120.0829 59.9888 39.9555 174.7173 91 H 5.1706 9.2687 124.5404 54.0089 31.6867 173.0765 92 F 4.7544 8.9961 126.5622 57.2621 40.0971 173.9006 93 D 5.1453 8.7031 128.1329 52.5911 42.7551 175.3184 94 L 4.2957 8.8292 128.3034 53.9953 42.9426 176.0933 95 I 4.6570 8.0343 126.0300 59.7708 39.2655 174.8342 96 Y 4.9187 8.7437 125.2428 56.2552 40.8298 174.5278 97 L 4.8299 8.3615 123.5500 54.3857 43.7578 175.7532 98 V 5.0280 8.4626 118.4010 59.4802 36.0284 174.6965 99 K 4.6774 8.4571 120.8713 54.9004 35.9468 175.0813 100 R 4.6003 8.4756 122.1221 56.4576 30.3744 176.2452 101 V 4.3730 9.1962 117.9910 60.2312 33.4649 175.4507 102 G 3.7924 8.2077 108.1113 46.1587 0.0000 171.9906 103 G 3.9751 10.1821 105.6049 45.6669 0.0000 172.0328 104 D 4.6233 7.9419 116.2141 52.8834 45.6220 175.6720 105 L 4.0228 8.9086 124.8647 56.2225 41.9259 176.0580 106 K 4.5078 9.3318 126.3989 57.3323 33.9032 176.5962 107 N 4.8031 8.0796 116.1081 52.5565 42.1303 172.8256 108 G 3.7018 8.8193 108.7065 44.4590 0.0000 172.5185 109 E 4.6890 8.8713 117.4810 54.0039 33.6110 175.6812 110 W 4.7906 8.8112 123.4445 56.3803 30.1120 175.7398 111 I 4.3221 9.3293 128.1937 59.3358 38.6464 175.1409 112 D 4.8644 8.6986 127.6212 54.0248 41.3413 177.1109 113 V 3.8774 8.5348 121.0618 64.6048 31.7214 178.0734 114 R 4.1408 9.5219 117.3277 57.1888 30.0594 176.5895 115 E 4.6207 8.6591 116.7844 55.4172 31.9361 177.3939 116 I 3.5727 7.3819 119.5688 64.3451 37.9441 176.9644 117 D 4.6266 8.0883 117.6179 55.7358 40.8431 176.6608 118 R 4.6692 8.1333 116.0916 55.5904 29.7798 175.5465 119 I 4.4276 7.4075 118.2067 59.9186 40.1132 175.1113 120 E 4.2531 8.9226 126.0261 57.0061 29.6083 175.3576 121 T 5.1824 8.1860 116.5465 59.3754 71.7901 174.1514 122 F 4.3478 9.2562 125.5986 57.2981 40.8195 172.7117 123 P 4.0606 0.0000 0.0000 64.4126 31.4137 176.3785 124 N 4.4508 9.0352 118.5659 53.8277 36.6862 176.1525 125 V 3.7470 7.8566 119.1087 66.2572 31.6127 177.9843 126 R 3.9597 8.0368 117.1355 59.2562 29.9374 178.9513 127 K 3.9814 7.9890 117.6698 59.5617 32.0642 179.3605 128 V 3.6456 8.2713 118.8253 66.0393 31.4321 178.2032 129 V 3.6897 8.2873 118.3429 65.8872 31.3346 177.9256 130 S 4.0962 8.0511 112.6156 61.3992 62.2905 175.9938 131 L 3.9751 7.9222 121.3740 57.7946 41.2442 179.1295 132 A 3.9810 8.2540 120.8908 55.3684 18.2941 179.3983 133 L 4.2376 8.0541 117.0805 58.3518 41.7789 180.1777 134 S 4.2210 8.0676 114.6372 61.9571 62.7936 176.8885 135 T 4.0195 8.6057 118.7206 66.7273 68.1948 176.6157 136 L 3.9539 8.9463 122.0356 57.8523 41.6440 178.8845 137 Y 4.0956 8.0464 119.4411 60.9751 38.7922 178.5799 138 R 3.6386 8.3066 118.8411 58.9706 30.2882 178.7866 139 L 4.2646 8.1868 118.4645 56.5915 41.6706 179.6724 140 G 3.4665 7.8657 106.3484 47.7567 0.0000 176.0994 141 K 3.9066 7.7146 121.6525 58.9340 32.1565 179.4007 142 I 3.6674 7.7213 120.1136 64.5012 37.0278 178.4202 143 S 4.0605 7.9150 113.5242 61.2460 62.4062 176.2235 144 K 4.1152 8.1405 120.9624 59.1600 32.3311 178.8105 145 L 3.9793 8.1013 121.6059 57.8789 42.0670 178.3055 146 A 4.1132 7.7807 119.5564 54.8005 18.3629 179.1376 147 A 4.0723 7.7456 118.4434 54.6491 18.5394 177.9048 148 A 4.2328 7.6235 123.2073 52.6613 18.6095 177.0951 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 4.59 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.80 0.00 2 I 7.73 4.59 2.08 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.04 0.94 0.00 0.00 3 V 9.53 5.07 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 0.31 0.00 0.00 0.95 0.00 0.00 4 T 8.30 5.75 4.35 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 1.35 0.00 0.00 5 S 8.75 5.24 0.00 3.49 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 6 G 9.59 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.64 4.57 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 1.04 0.00 0.00 0.71 0.00 0.00 8 L 8.77 5.03 0.00 1.88 1.80 1.10 1.02 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 9 V 8.55 5.11 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 0.96 0.00 0.00 1.04 0.00 0.00 10 E 9.28 4.43 0.00 1.43 1.47 0.00 0.00 0.00 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 2.36 0.00 11 N 9.43 4.02 0.00 2.66 2.75 0.00 0.00 7.11 7.65 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 12 G 7.90 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 0.00 0.00 0.00 13 K 7.84 5.34 0.00 1.68 1.90 0.00 1.36 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.53 7.81 14 V 9.14 5.06 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 0.88 0.00 0.00 1.09 0.00 0.00 15 L 8.77 4.46 0.00 0.87 1.51 -0.29 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.96 5.03 0.00 1.62 1.69 0.90 0.62 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 17 V 8.44 4.71 1.95 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 0.54 0.00 0.00 0.79 0.00 0.00 18 K 8.18 4.26 0.00 1.44 1.58 0.00 1.60 0.00 0.00 1.37 0.00 0.00 2.67 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.51 1.12 7.81 19 H 9.30 3.87 0.00 3.16 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.53 3.74 0.00 1.59 1.67 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.42 7.81 21 R 7.92 4.48 0.00 1.85 1.87 0.00 2.97 0.00 0.00 2.69 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.48 0.00 22 L 8.47 4.18 0.00 1.58 1.76 1.05 1.03 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 23 G 8.39 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.38 3.87 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 0.84 0.00 0.00 1.14 0.00 0.00 25 Y 9.01 4.69 0.00 2.95 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 26 I 8.74 4.71 1.60 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 0.93 1.07 0.74 0.00 0.00 27 Y 6.87 4.62 0.00 3.23 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 28 P 0.00 4.25 0.00 1.41 1.53 0.00 3.94 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.66 0.00 29 G 7.55 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 30 G 7.79 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 31 H 8.45 4.28 0.00 3.06 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.14 4.13 2.14 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 0.79 0.00 0.00 1.00 0.00 0.00 33 E 9.58 4.19 0.00 2.32 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 0.00 2.37 2.43 0.00 34 H 9.49 3.98 0.00 3.09 3.44 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.18 4.63 0.00 2.85 2.95 0.00 0.00 5.77 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 36 E 8.73 5.00 0.00 2.16 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 0.00 2.27 2.26 0.00 37 T 9.05 4.46 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 1.28 0.00 0.00 38 P 0.00 4.30 0.00 2.41 2.36 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 39 I 7.74 3.43 1.81 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.31 0.77 0.00 0.00 40 E 8.21 4.03 0.00 2.17 1.99 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 2.32 2.31 0.00 41 A 8.63 4.25 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 42 V 8.06 3.66 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.01 0.00 0.00 43 K 7.73 3.96 0.00 1.98 1.88 0.00 1.61 0.00 0.00 1.48 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.51 7.81 44 R 8.07 3.87 0.00 2.04 2.12 0.00 3.12 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 45 E 8.49 3.95 0.00 2.07 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 2.51 2.57 0.00 46 F 8.30 3.76 0.00 3.45 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 47 E 8.37 4.24 0.00 2.25 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 2.34 2.30 0.00 48 E 8.66 3.95 0.00 2.08 1.99 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 2.35 2.38 0.00 49 E 8.69 4.07 0.00 1.89 1.81 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 2.23 2.23 0.00 50 T 7.96 4.52 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 0.60 0.00 0.00 51 G 8.77 4.14 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 0.00 0.00 0.00 52 I 7.73 4.67 2.23 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.17 1.06 0.00 0.00 53 V 9.73 4.55 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 0.99 0.00 0.00 0.95 0.00 0.00 54 V 8.20 4.85 1.75 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 -0.28 0.00 0.00 0.41 0.00 0.00 55 E 8.82 4.53 0.00 1.92 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 0.00 2.11 2.19 0.00 56 P 0.00 4.82 0.00 1.61 1.31 0.00 3.50 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 57 I 8.93 4.58 1.77 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 1.15 0.58 0.86 0.00 0.00 58 G 7.77 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 59 F 7.46 4.54 0.00 3.05 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 60 T 8.02 5.02 4.47 0.00 0.00 0.00 0.00 0.00 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 61 Y 8.74 4.30 0.00 3.02 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 62 G 8.87 4.20 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 0.00 0.00 0.00 63 I 8.29 3.83 1.92 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 1.31 0.94 0.93 0.00 0.00 64 I 8.09 4.51 1.89 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 1.48 0.51 0.96 0.00 0.00 65 D 8.08 4.60 0.00 2.90 2.75 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 66 E 8.90 4.01 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 67 N 8.32 4.68 0.00 2.70 2.86 0.00 0.00 6.78 7.95 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 68 A 7.39 4.51 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 69 V 8.12 4.86 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 0.75 0.00 0.00 0.94 0.00 0.00 70 E 9.00 4.23 0.00 2.09 1.95 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 2.40 2.40 0.00 71 R 8.40 4.90 0.00 1.77 1.84 0.00 3.39 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 72 P 0.00 4.64 0.00 2.10 2.04 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 73 M 8.44 4.37 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.67 0.00 74 P 0.00 4.18 0.00 1.72 1.39 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.54 0.00 75 L 9.03 4.25 0.00 1.53 1.71 0.91 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.13 4.41 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 0.51 0.00 0.00 0.90 0.00 0.00 77 I 8.19 4.60 1.66 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 1.12 0.54 0.20 0.00 0.00 78 L 8.21 4.59 0.00 1.53 1.52 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.68 4.75 0.00 2.04 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 2.28 2.46 0.00 80 E 9.06 4.46 0.00 2.11 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 2.47 2.33 0.00 81 V 8.25 4.50 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 0.71 0.00 0.00 0.92 0.00 0.00 82 V 8.59 4.05 1.77 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 0.17 0.00 0.00 1.02 0.00 0.00 83 K 8.32 4.58 0.00 1.61 1.73 0.00 1.79 0.00 0.00 2.34 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.23 7.81 84 Y 8.13 4.70 0.00 3.10 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 85 P 0.00 4.67 0.00 2.08 2.07 0.00 3.92 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 86 E 8.37 5.98 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 2.37 2.04 0.00 87 E 6.57 4.99 0.00 2.25 2.39 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 2.38 2.59 0.00 88 T 7.43 4.57 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 1.21 0.00 0.00 89 H 8.49 4.84 0.00 3.02 3.30 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.29 4.91 1.94 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 1.36 0.91 0.98 0.00 0.00 91 H 9.27 5.17 0.00 3.20 3.20 0.00 5.62 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 92 F 9.00 4.75 0.00 3.20 3.02 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 93 D 8.70 5.15 0.00 2.98 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.83 4.30 0.00 1.73 1.23 0.95 0.80 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 95 I 8.03 4.66 1.78 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 1.09 1.02 0.50 0.00 0.00 96 Y 8.74 4.92 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.36 4.83 0.00 1.72 1.64 0.96 0.74 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 98 V 8.46 5.03 1.84 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 0.67 0.00 0.00 0.60 0.00 0.00 99 K 8.46 4.68 0.00 1.76 1.82 0.00 1.26 0.00 0.00 1.52 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.27 7.81 100 R 8.48 4.60 0.00 1.91 1.90 0.00 3.53 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 101 V 9.20 4.37 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 0.68 0.00 0.00 0.93 0.00 0.00 102 G 8.21 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 0.00 103 G 10.18 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 0.00 104 D 7.94 4.62 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.91 4.02 0.00 1.74 1.71 0.74 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 0.00 106 K 9.33 4.51 0.00 1.74 1.80 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.50 7.81 107 N 8.08 4.80 0.00 2.60 2.62 0.00 0.00 7.36 8.18 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 0.00 108 G 8.82 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 0.00 109 E 8.87 4.69 0.00 1.86 1.79 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 2.25 2.35 0.00 110 W 8.81 4.79 0.00 3.23 3.11 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 0.00 111 I 9.33 4.32 1.96 0.00 0.00 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 1.17 0.70 0.84 0.00 0.00 112 D 8.70 4.86 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.53 3.88 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 0.78 0.00 0.00 0.99 0.00 0.00 114 R 9.52 4.14 0.00 1.77 1.97 0.00 3.10 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 115 E 8.66 4.62 0.00 1.90 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 0.00 2.20 2.19 0.00 116 I 7.38 3.57 1.88 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 1.32 1.22 0.97 0.00 0.00 117 D 8.09 4.63 0.00 2.71 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 0.00 118 R 8.13 4.67 0.00 1.84 1.97 0.00 3.10 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.80 0.00 119 I 7.41 4.43 1.95 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.63 0.72 0.00 0.00 120 E 8.92 4.25 0.00 2.12 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 2.43 2.34 0.00 121 T 8.19 5.18 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 1.28 0.00 0.00 122 F 9.26 4.35 0.00 3.09 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 0.00 123 P 0.00 4.06 0.00 1.48 1.76 0.00 2.20 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.83 0.00 124 N 9.04 4.45 0.00 2.99 3.03 0.00 0.00 6.76 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 0.00 125 V 7.86 3.75 2.12 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 1.02 0.00 0.00 0.74 0.00 0.00 126 R 8.04 3.96 0.00 1.91 1.99 0.00 3.18 0.00 0.00 3.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 127 K 7.99 3.98 0.00 2.01 1.89 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.52 7.81 128 V 8.27 3.65 2.55 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 1.07 0.00 0.00 1.13 0.00 0.00 129 V 8.29 3.69 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 1.01 0.00 0.00 1.10 0.00 0.00 130 S 8.05 4.10 0.00 4.00 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 0.00 131 L 7.92 3.98 0.00 1.98 1.75 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.25 3.98 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 0.00 133 L 8.05 4.24 0.00 1.90 1.78 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.07 4.22 0.00 3.96 3.99 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 0.00 135 T 8.61 4.02 4.44 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 1.03 0.00 0.00 136 L 8.95 3.95 0.00 1.83 1.74 0.95 0.68 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 0.00 137 Y 8.05 4.10 0.00 3.13 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 0.00 138 R 8.31 3.64 0.00 2.26 2.16 0.00 3.28 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.11 0.00 139 L 8.19 4.26 0.00 1.57 1.58 0.58 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.87 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.71 3.91 0.00 1.50 1.72 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.09 1.13 7.81 142 I 7.72 3.67 1.88 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.93 0.00 0.00 143 S 7.91 4.06 0.00 3.91 4.14 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 0.00 144 K 8.14 4.12 0.00 2.02 2.03 0.00 1.35 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.40 7.81 145 L 8.10 3.98 0.00 1.65 1.75 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 146 A 7.78 4.11 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 0.00 147 A 7.75 4.07 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 0.00 148 A 7.62 4.23 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