NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3638 0.0000 0.0000 61.4773 32.7996 175.6332 3 K 3.6313 8.5077 118.6258 56.3700 32.4977 174.6975 4 K 4.4339 8.5297 127.0466 55.5972 34.4708 175.0435 5 V 5.5215 8.1816 124.9178 60.4733 34.1603 174.2269 6 L 4.9584 8.1860 125.7377 53.4261 46.6328 174.9319 7 T 5.0515 8.2584 115.0704 62.5762 72.2689 174.0134 8 G 4.1361 9.2846 112.5614 45.5996 0.0000 171.1526 9 V 4.9245 8.5039 119.3957 60.5824 34.2388 175.3856 10 V 4.1773 8.5252 128.8289 63.9104 31.9493 176.5667 11 V 4.6622 9.2167 118.3050 60.6101 34.0378 175.3625 12 S 4.8604 8.0568 114.8304 56.8072 65.5956 173.6572 13 D 4.8129 8.6765 120.3549 54.5402 44.5766 177.6968 14 K 4.2331 8.2217 117.6816 56.5364 31.5625 175.8228 15 M 4.7689 8.5762 117.5824 53.7402 35.3775 174.7128 16 Q 4.2705 8.5932 122.1318 55.4790 29.1849 176.0520 17 K 3.9374 8.6499 123.9865 57.3453 28.9165 176.4545 18 T 5.3304 7.2353 109.2415 63.7910 71.3751 172.3298 19 V 4.4970 7.5297 119.0845 59.5048 34.3213 175.1080 20 T 4.4417 8.3094 121.7665 63.7948 69.4414 173.4499 21 V 4.7223 9.3159 128.2215 60.8509 34.1782 174.4197 22 L 4.6408 9.0106 130.6558 54.5175 43.8061 175.7053 23 V 4.6896 8.3900 123.7899 60.1015 34.6751 173.6286 24 E 5.0384 8.8886 125.5675 54.6356 31.6385 174.7140 25 R 4.7584 9.7514 126.5689 54.6837 33.5823 173.7548 26 Q 5.0380 8.7095 124.6018 54.5241 30.8088 175.0204 27 F 4.9683 8.9593 116.9719 54.8985 41.6913 171.7102 28 P 4.6761 0.0000 0.0000 62.6388 32.0463 175.3688 29 H 4.3780 8.7982 124.6451 55.3492 30.1697 174.6060 30 P 4.3269 0.0000 0.0000 64.8083 31.5169 176.6169 31 L 4.3407 7.6317 119.0505 56.0199 43.3359 176.2455 32 Y 4.8972 8.2273 112.5162 57.4630 37.8183 175.6186 33 G 4.1726 8.2962 114.2016 45.6585 0.0000 173.9231 34 K 3.9136 7.7940 117.9494 56.6136 33.4674 175.2669 35 V 3.7114 8.4603 116.7950 62.0031 32.0525 176.0266 36 I 3.9555 8.1854 127.1663 60.9590 38.3358 175.7680 37 K 4.9695 7.9742 123.7965 55.1640 34.6083 175.4439 38 R 4.6167 7.8364 117.7347 56.2017 34.1007 173.2013 39 S 5.1256 8.6564 117.7649 57.1211 66.8928 172.8352 40 K 4.3815 8.8311 120.6575 55.1439 35.8193 174.6140 41 K 4.5319 8.2907 126.6877 56.0660 33.0080 175.8053 42 Y 4.8178 9.2652 122.5091 56.2063 41.2324 174.7549 43 L 5.1518 8.6373 120.8314 53.3468 44.1185 175.4845 44 A 4.9606 8.7843 126.3555 50.5977 21.7565 174.9343 45 H 4.8515 8.6818 120.5981 55.3776 31.0276 174.0107 46 D 4.8635 8.8783 125.9164 52.3516 42.9054 174.7935 47 P 4.2270 0.0000 0.0000 65.6350 31.4098 177.4215 48 E 4.4389 8.3085 115.3733 55.3935 29.5150 176.0016 49 E 4.0559 8.3694 115.0665 57.0945 27.2628 175.6654 50 K 3.9979 7.7695 117.0011 57.5634 32.1969 176.0076 51 Y 4.5354 7.8512 115.9206 56.8820 39.4061 175.3336 52 K 4.6260 8.6763 123.9081 53.8923 34.9706 175.7399 53 L 4.0532 8.1786 122.0046 56.4819 42.6903 176.7679 54 G 3.8773 8.6794 112.5405 46.1181 0.0000 172.8667 55 D 5.2150 7.7442 119.4696 52.7170 43.8542 175.4087 56 V 5.4804 8.3251 118.1864 60.5129 34.4065 174.6849 57 V 4.8838 8.2591 119.8152 59.6195 35.8345 174.7155 58 E 4.8753 9.0456 122.2220 55.9491 31.4685 175.6046 59 I 4.8329 9.0993 122.7173 59.5496 41.6077 174.3351 60 I 5.0948 8.6260 125.0314 58.7686 41.3427 173.8835 61 E 3.3889 9.3968 130.7978 56.9291 29.8958 175.7141 62 S 4.7420 7.6650 122.3483 56.3131 67.2827 173.4332 63 R 4.0390 8.4974 120.7812 55.3670 30.3398 173.9022 64 P 4.0271 0.0000 0.0000 62.9892 31.7634 175.2543 65 I 4.1830 8.4568 124.0327 62.4498 38.3901 175.5823 66 S 4.6066 7.4953 111.0231 55.9346 66.0220 173.0676 67 K 3.7340 8.4182 121.2783 58.5208 32.1287 175.0022 68 R 4.5245 9.0630 128.8474 56.3717 28.1704 176.8027 69 K 4.4153 7.4127 118.3738 56.3428 31.8604 177.7143 70 R 4.6679 8.5586 119.7158 55.8961 35.0677 174.5800 71 F 5.8380 8.2781 117.2014 54.8982 43.2360 173.8976 72 R 4.7921 8.3790 117.5225 54.8323 34.9457 175.3451 73 V 4.1414 8.0303 121.1566 60.8783 29.0285 174.5281 74 L 3.9827 8.2660 123.6020 57.7945 41.8837 177.3948 75 R 4.9004 7.6047 111.6792 54.7155 34.0350 172.3750 76 L 5.0728 8.6443 120.6001 53.8474 43.2017 175.7388 77 V 4.4719 10.7183 124.3863 63.4323 34.1806 175.6798 78 E 4.7880 7.8582 117.1171 54.2637 32.8809 175.4433 79 S 4.3547 8.9495 117.5098 59.1648 63.3505 173.4858 80 G 3.9811 8.2275 113.1634 46.4610 0.0000 173.5471 81 R 4.7150 8.8579 124.3389 55.0091 30.9306 176.9289 82 M 4.1676 7.9612 120.0005 57.8151 32.2505 178.1151 83 D 4.4160 8.1022 118.8914 56.7113 39.4779 178.6831 84 L 4.0938 8.0051 122.0657 57.4229 42.0339 178.4995 85 V 3.7334 8.2420 117.6933 67.4937 31.1267 178.2309 86 E 3.8624 8.1471 115.7658 58.6444 29.5405 179.0687 87 K 3.8938 8.1306 119.7167 60.0146 32.5095 178.0001 88 Y 4.2245 8.0659 118.7436 61.1510 38.6480 178.1530 89 L 3.5642 8.5396 120.5458 57.5187 41.6023 179.2818 90 I 4.0817 7.7365 119.2550 63.0714 37.6110 177.8375 91 R 3.7769 7.0723 113.8935 57.4160 29.7740 176.9318 92 R 3.9743 7.8938 120.7548 57.1977 31.9383 178.2063 93 Q 3.9140 7.4879 113.7243 58.9561 29.0805 177.1547 94 N 4.2790 8.1303 114.2085 56.6145 38.5409 175.2284 95 Y 4.3596 6.9901 112.1411 62.8326 37.9567 179.0382 96 Q 4.5043 8.5682 122.5182 56.3141 28.6388 177.4870 97 S 4.6007 10.0001 112.8984 58.6157 64.1860 174.5174 98 L 4.4591 7.8907 119.4691 54.8576 41.1126 177.0082 99 S 4.4172 7.2915 114.4043 58.6478 63.9377 175.0132 100 K 4.3417 7.7389 120.8602 57.8414 32.8658 177.3940 101 R 4.5246 7.1034 115.0634 56.1443 33.8954 175.0061 102 G 4.3307 7.7016 108.7192 44.3083 0.0000 170.8610 103 G 4.1345 8.8029 106.8517 45.3428 0.0000 174.0619 104 K 4.2518 8.5211 125.4204 55.2579 34.0246 175.1584 105 A 4.2087 8.6924 119.4129 52.2707 18.5773 177.0950 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 2 P 0.00 4.36 0.00 2.05 2.04 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 3 K 8.51 3.63 0.00 1.70 1.92 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.47 7.81 4 K 8.53 4.43 0.00 2.07 1.77 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.39 7.81 5 V 8.18 5.52 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.98 0.00 0.00 6 L 8.19 4.96 0.00 1.39 1.43 0.16 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.26 5.05 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 8 G 9.28 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 9 V 8.50 4.92 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.93 0.00 0.00 10 V 8.53 4.18 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 0.92 0.00 0.00 1.00 0.00 0.00 11 V 9.22 4.66 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 0.80 0.00 0.00 0.71 0.00 0.00 12 S 8.06 4.86 0.00 3.95 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 13 D 8.68 4.81 0.00 2.73 2.58 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 0.00 0.00 0.00 0.00 14 K 8.22 4.23 0.00 1.81 1.85 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.47 7.81 15 M 8.58 4.77 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 16 Q 8.59 4.27 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 17 K 8.65 3.94 0.00 1.99 2.01 0.00 2.01 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.41 7.81 18 T 7.24 5.33 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 1.25 0.00 0.00 19 V 7.53 4.50 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 0.83 0.00 0.00 0.91 0.00 0.00 20 T 8.31 4.44 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 1.16 0.00 0.00 21 V 9.32 4.72 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 0.91 0.00 0.00 0.94 0.00 0.00 22 L 9.01 4.64 0.00 1.65 1.43 0.69 0.64 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 23 V 8.39 4.69 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 0.99 0.00 0.00 0.96 0.00 0.00 24 E 8.89 5.04 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 2.23 2.29 0.00 25 R 9.75 4.76 0.00 1.77 1.77 0.00 2.94 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 26 Q 8.71 5.04 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.39 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 27 F 8.96 4.97 0.00 3.15 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 28 P 0.00 4.68 0.00 2.05 2.11 0.00 4.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.90 0.00 29 H 8.80 4.38 0.00 3.29 3.28 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.33 0.00 2.14 2.16 0.00 3.39 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 1.73 1.90 0.00 31 L 7.63 4.34 0.00 1.25 0.92 0.88 0.59 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 32 Y 8.23 4.90 0.00 2.89 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 33 G 8.30 4.17 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 0.00 0.00 0.00 34 K 7.79 3.91 0.00 1.86 1.99 0.00 1.36 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.55 7.81 35 V 8.46 3.71 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 0.91 0.00 0.00 36 I 8.19 3.96 1.24 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 1.02 0.34 0.80 0.00 0.00 37 K 7.97 4.97 0.00 1.60 1.72 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.39 7.81 38 R 7.84 4.62 0.00 2.08 1.90 0.00 3.42 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 39 S 8.66 5.13 0.00 3.79 3.74 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 40 K 8.83 4.38 0.00 1.61 1.42 0.00 1.48 0.00 0.00 1.37 0.00 0.00 2.62 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.89 7.81 41 K 8.29 4.53 0.00 1.49 1.55 0.00 1.59 0.00 0.00 1.19 0.00 0.00 2.64 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.06 1.20 7.81 42 Y 9.27 4.82 0.00 2.76 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 43 L 8.64 5.15 0.00 1.65 1.63 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.78 4.96 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 45 H 8.68 4.85 0.00 3.18 3.25 0.00 5.90 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.88 4.86 0.00 2.76 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.12 2.13 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 48 E 8.31 4.44 0.00 2.00 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 2.33 2.33 0.00 49 E 8.37 4.06 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 50 K 7.77 4.00 0.00 1.56 1.25 0.00 1.49 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.30 7.81 51 Y 7.85 4.54 0.00 3.20 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 52 K 8.68 4.63 0.00 1.88 1.74 0.00 1.55 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.38 7.81 53 L 8.18 4.05 0.00 1.62 1.59 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.68 3.88 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 0.00 0.00 0.00 55 D 7.74 5.21 0.00 2.75 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 56 V 8.33 5.48 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.01 0.00 0.00 57 V 8.26 4.88 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 0.61 0.00 0.00 0.92 0.00 0.00 58 E 9.05 4.88 0.00 1.83 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 0.00 2.28 2.42 0.00 59 I 9.10 4.83 1.73 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 0.97 0.96 0.35 0.00 0.00 60 I 8.63 5.09 1.90 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 1.11 1.51 0.99 0.00 0.00 61 E 9.40 3.39 0.00 2.17 1.80 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 2.01 1.98 0.00 62 S 7.67 4.74 0.00 3.79 3.64 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 63 R 8.50 4.04 0.00 1.71 1.77 0.00 3.23 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 64 P 0.00 4.03 0.00 2.06 1.96 0.00 3.89 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 65 I 8.46 4.18 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.41 0.88 0.00 0.00 66 S 7.50 4.61 0.00 3.93 3.82 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 67 K 8.42 3.73 0.00 1.74 1.80 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.49 7.81 68 R 9.06 4.52 0.00 2.02 2.29 0.00 3.46 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 69 K 7.41 4.42 0.00 1.95 1.81 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.53 1.42 7.81 70 R 8.56 4.67 0.00 1.71 1.58 0.00 3.08 0.00 0.00 3.29 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 71 F 8.28 5.84 0.00 2.84 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 72 R 8.38 4.79 0.00 1.72 1.81 0.00 3.12 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 73 V 8.03 4.14 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 -0.45 0.00 0.00 0.78 0.00 0.00 74 L 8.27 3.98 0.00 1.73 1.61 0.92 0.84 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 75 R 7.60 4.90 0.00 1.92 2.02 0.00 3.02 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 76 L 8.64 5.07 0.00 1.98 1.83 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 77 V 10.72 4.47 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 0.87 0.00 0.00 1.01 0.00 0.00 78 E 7.86 4.79 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 79 S 8.95 4.35 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.23 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 81 R 8.86 4.72 0.00 1.79 2.01 0.00 3.14 0.00 0.00 3.49 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 82 M 7.96 4.17 0.00 2.03 2.12 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 2.70 2.55 0.00 83 D 8.10 4.42 0.00 2.83 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 84 L 8.01 4.09 0.00 1.92 1.72 0.93 0.82 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 85 V 8.24 3.73 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 1.02 0.00 0.00 86 E 8.15 3.86 0.00 2.28 1.89 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 2.34 2.52 0.00 87 K 8.13 3.89 0.00 1.86 1.85 0.00 1.66 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 88 Y 8.07 4.22 0.00 3.04 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 89 L 8.54 3.56 0.00 1.80 1.56 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.74 4.08 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.87 0.84 0.00 0.00 91 R 7.07 3.78 0.00 1.69 1.60 0.00 3.09 0.00 0.00 3.14 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 92 R 7.89 3.97 0.00 1.41 1.69 0.00 3.13 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.35 0.00 93 Q 7.49 3.91 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.52 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 94 N 8.13 4.28 0.00 2.54 2.87 0.00 0.00 6.88 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 6.99 4.36 0.00 3.20 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 96 Q 8.57 4.50 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 97 S 10.00 4.60 0.00 3.98 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 98 L 7.89 4.46 0.00 1.66 1.75 0.99 0.90 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 99 S 7.29 4.42 0.00 3.85 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 0.00 100 K 7.74 4.34 0.00 1.73 1.84 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.38 7.81 101 R 7.10 4.52 0.00 1.73 1.74 0.00 3.19 0.00 0.00 3.23 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 102 G 7.70 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.80 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.52 4.25 0.00 1.63 1.48 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.46 7.81 105 A 8.69 4.21 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00