NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2180 8.2985 121.4492 56.3007 31.8058 177.8103 3 A 3.8765 7.7772 120.3289 54.2821 18.3456 174.3829 4 V 3.6612 8.2077 117.6356 66.0220 32.0440 176.6744 5 K 4.0495 7.9312 117.8407 59.6442 31.9266 179.3108 6 T 3.8579 8.1296 116.0931 66.5516 68.3911 176.3624 7 F 4.1063 8.3179 122.4932 61.4669 39.3479 176.7325 8 N 4.1961 8.7036 116.3762 56.5361 38.3413 177.5231 9 S 4.1141 8.3021 116.6017 61.6083 62.6876 176.6674 10 E 3.8917 7.7874 120.1460 59.1452 29.4904 178.9036 11 L 3.6574 7.6467 120.6661 58.2760 42.0878 178.4869 12 Y 4.0499 8.2216 119.9154 60.4029 38.6108 177.8294 13 S 4.4850 8.1079 116.4172 60.2246 62.8777 176.1150 14 L 4.0158 7.7237 123.2322 58.2109 41.1117 178.8600 15 N 3.9587 7.8355 114.7995 55.0710 38.1797 175.9261 16 D 4.5754 8.1436 119.7641 53.6061 41.3425 175.2635 17 Y 4.7219 7.4055 116.9454 55.7519 41.2598 174.8488 18 K 4.3799 8.6351 123.8240 54.5125 33.0637 175.0199 19 P 4.5831 0.0000 0.0000 61.6425 31.9606 174.3759 20 P 4.4620 0.0000 0.0000 62.6263 31.9567 176.3279 21 I 3.9706 8.2402 122.7891 60.8256 38.0394 176.8199 22 S 4.3248 8.2806 119.5169 58.0367 64.9725 175.5400 23 K 3.8655 8.5578 122.4821 59.5373 31.8085 179.3002 24 A 3.9335 7.8948 120.4848 55.2027 18.3516 179.5077 25 K 3.7639 7.9979 118.0344 59.7298 32.1564 178.7161 26 M 4.0224 8.0222 118.5692 58.8286 32.0590 178.2911 27 T 3.8472 8.2697 116.3787 66.8009 68.6318 176.6204 28 Q 4.0369 8.0800 119.9173 58.8803 28.6849 178.8408 29 I 3.6970 7.7891 120.8656 64.7344 37.1665 178.6614 30 T 3.9307 8.1655 116.6376 66.5844 68.2265 176.8588 31 K 3.9821 8.5411 120.6333 59.5364 31.8527 179.2118 32 A 4.1074 7.9845 119.7626 55.0410 18.5481 179.2802 33 A 3.8419 8.2148 119.3714 55.3837 18.5871 180.0074 34 I 3.9687 7.9940 118.3871 64.5798 36.9956 178.9025 35 K 4.2202 8.4099 118.1753 58.5250 31.9468 177.9675 36 A 4.8883 7.6796 120.1928 52.2557 19.7997 178.7974 37 I 3.6599 7.8097 123.6890 65.5118 37.6888 177.5176 38 K 3.7276 8.0464 119.4334 58.4096 32.1790 177.2801 39 F 4.8255 8.0974 118.3628 57.0920 40.3423 177.5434 40 Y 4.1280 7.8071 120.2771 60.1977 37.5516 177.6026 41 K 3.5739 6.7732 119.7253 59.4675 32.0425 178.8394 42 H 4.1747 8.1205 116.0909 58.5600 28.7067 177.8363 43 V 3.4478 7.8787 120.1466 65.9669 31.3059 178.1478 44 V 3.3200 7.8755 118.0936 65.9809 31.1831 177.5596 45 Q 4.0001 8.1035 119.1263 59.5433 28.8052 178.6711 46 S 4.2701 8.5196 116.3090 61.5828 62.8271 176.9060 47 V 3.8375 8.2944 121.0177 66.2122 31.2996 177.9901 48 E 4.1297 8.8444 118.8015 59.2847 29.3157 179.2656 49 K 3.9856 8.5931 120.1054 59.3421 32.2369 178.5818 50 F 4.0801 8.6101 121.0732 61.5624 39.1443 177.1738 51 I 3.7416 8.0348 118.0769 64.3554 36.9190 177.9139 52 Q 4.0803 8.2866 119.8904 58.7469 29.0443 177.7024 53 K 4.3205 7.7828 117.1054 56.1559 33.0728 176.8174 54 C 4.0776 7.0502 113.7853 56.9118 30.4305 173.6503 55 K 4.0969 8.3144 119.6587 55.9328 32.5399 176.3041 56 P 4.1888 0.0000 0.0000 65.9760 30.9822 178.6735 57 E 3.9593 7.9607 114.1113 58.4654 29.7673 177.4600 58 Y 4.6505 7.7789 117.0530 57.9300 38.3304 177.3851 59 K 3.8984 7.8748 121.2380 59.5233 32.1727 179.1777 60 V 3.1770 7.5175 117.7055 65.4053 31.4157 175.7466 61 P 4.3451 0.0000 0.0000 65.7990 31.2491 178.5550 62 G 3.7241 8.4987 104.4402 47.8682 0.0000 175.4245 63 L 3.9071 7.9375 122.8875 58.0813 41.9966 178.7126 64 Y 4.4703 8.1805 117.1514 60.9032 37.6576 178.5715 65 V 3.6397 8.0575 119.5157 66.0489 31.5860 178.1049 66 I 3.3282 7.6460 119.1967 64.3122 36.8766 177.7450 67 D 4.7579 8.6659 119.1860 57.7426 41.0502 178.3827 68 S 4.1009 8.5825 113.8691 61.3444 62.3701 176.1299 69 I 3.5729 7.9562 122.6204 64.3645 36.7797 178.5873 70 V 3.6543 7.9380 119.0735 66.1898 31.3487 178.3297 71 R 3.9279 8.2628 117.9848 59.2172 29.8443 178.8745 72 Q 3.9736 8.3470 119.6214 59.0301 28.9668 178.0852 73 S 4.3931 8.5958 114.7112 61.6163 62.5380 176.2967 74 R 4.1020 8.3733 121.0944 59.5002 29.5449 178.5974 75 H 4.0831 8.0201 117.0444 59.4377 30.0303 176.8989 76 Q 3.8503 8.2883 120.3090 57.9241 28.9306 176.2519 77 F 4.6812 8.4179 116.1021 56.2994 41.1776 176.2226 78 G 4.0847 8.1214 108.8526 45.1890 0.0000 175.0097 79 Q 4.0037 8.4954 120.6772 58.7622 28.9570 177.9897 80 E 4.0962 8.1043 115.8816 58.3338 29.7626 177.6903 81 K 4.1873 7.6864 116.3354 56.8703 33.1062 176.4498 82 D 4.3005 7.6852 118.4593 55.0909 41.3188 176.6910 83 V 3.6650 7.8702 118.3760 62.5269 32.6988 178.4373 84 F 4.0989 8.9018 119.7538 60.3194 38.8602 177.4600 85 A 4.1421 8.5877 120.3508 54.8857 17.9186 177.7722 86 P 4.2766 0.0000 0.0000 65.8616 31.6366 178.5168 87 R 4.1019 7.9025 117.2961 59.4647 29.6545 178.5490 88 F 4.4675 8.9434 118.2327 60.5421 38.7254 177.7381 89 S 4.4443 8.5357 114.0580 61.2009 62.4621 176.2382 90 N 4.4150 7.9004 119.3032 56.0258 38.5755 176.4826 91 N 4.9944 7.4563 116.0929 53.2275 39.2619 176.8676 92 I 3.8954 7.6463 124.2771 64.1432 37.8910 178.0059 93 I 3.7735 7.8016 120.3876 64.4629 37.0693 178.2243 94 S 4.1894 8.1659 115.4155 62.0433 62.6488 176.7161 95 T 3.9083 8.2168 118.3082 66.9160 68.1978 176.7471 96 F 3.5933 8.7736 119.7383 60.1705 38.6578 177.6339 97 Q 4.2052 8.2862 117.3928 59.3922 28.8619 178.7154 98 N 4.5158 8.1967 117.1708 56.2270 38.6810 177.5191 99 L 3.8240 7.8574 120.6366 57.8016 41.4139 178.5061 100 Y 4.6081 7.7231 113.8332 58.9852 37.9814 175.7364 101 R 4.4092 7.7196 119.4152 56.6630 30.5483 176.3386 102 C 4.5344 7.1708 112.0502 55.7147 31.7175 171.3728 103 P 4.3355 0.0000 0.0000 62.3436 31.5791 177.7781 104 G 3.8801 8.9866 111.0393 49.0345 0.0000 174.9796 105 D 4.5252 7.9827 116.6099 54.6556 39.9519 176.9405 106 D 4.6145 8.2322 120.1910 55.1529 41.2900 178.3163 107 K 4.0446 7.7980 120.4241 59.6089 32.0397 179.1807 108 S 4.2143 8.0561 113.7733 61.2869 62.8456 176.5668 109 K 4.0282 7.9700 122.3169 59.1548 31.6831 179.4312 110 I 3.5952 7.6245 119.8175 64.3736 37.0803 178.4585 111 V 3.6211 7.7973 118.9295 65.7833 31.3129 177.9076 112 R 3.8460 8.1836 118.7085 59.4929 29.8392 178.7043 113 V 3.3731 7.4989 117.4835 65.8357 31.4193 177.9063 114 L 3.7830 7.7924 118.7618 57.9136 41.4152 179.3321 115 N 4.3901 8.4634 116.6818 56.2327 38.3809 177.5630 116 L 4.0750 8.0264 120.5239 57.5328 41.6559 179.4166 117 W 4.5870 8.5711 119.4192 59.9364 29.1258 178.4105 118 Q 4.0583 8.5831 119.5713 59.1811 28.3741 178.0555 119 K 4.0321 8.1785 119.4428 59.0297 32.2721 177.4788 120 N 4.7894 8.2535 113.7497 51.7816 39.0302 174.4363 121 N 4.2610 8.0239 116.3772 54.2269 36.9713 176.1529 122 V 3.5329 8.1647 119.2310 65.1082 31.9311 175.8007 123 F 4.8702 7.6824 115.2766 55.0251 42.9381 174.6202 124 K 4.3370 8.4753 121.6213 56.2036 32.9081 178.4641 125 S 4.2227 8.8486 117.5687 61.9639 62.4556 176.9621 126 E 4.2163 8.2174 118.7315 59.0854 28.6237 178.7988 127 I 4.0111 7.7665 120.7489 63.9880 37.5577 178.2058 128 I 3.8119 7.6168 120.1164 64.0906 37.0663 177.8163 129 Q 3.9704 8.5115 120.8938 59.0507 28.8378 176.9883 130 P 4.2699 0.0000 0.0000 65.4811 31.1898 178.6304 131 L 4.0253 7.2516 114.8128 57.6104 41.4481 179.4649 132 L 4.0543 8.0810 119.0758 57.8995 41.5549 179.2238 133 D 4.3775 8.4968 119.2517 57.5997 40.6259 178.7345 134 M 3.9976 8.3118 119.0807 58.2161 31.7157 178.6051 135 A 3.2303 7.3373 119.7570 54.9369 18.7708 179.2878 136 A 3.9692 7.9118 119.0475 55.1471 18.5675 179.7209 137 A 3.9226 8.0864 119.3606 55.2358 18.5505 179.8873 138 L 3.8532 7.5489 117.2449 57.8102 41.3834 179.5023 139 E 4.0298 7.6098 117.5085 58.8561 29.4356 177.9939 140 H 4.6762 7.4698 113.5405 56.2699 29.2896 174.9297 141 H 4.5454 7.5638 122.2876 56.0645 28.5942 175.0446 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 E 8.30 4.22 0.00 2.00 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 2.30 2.33 0.00 3 A 7.78 3.88 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.21 3.66 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 1.12 0.00 0.00 0.68 0.00 0.00 5 K 7.93 4.05 0.00 1.82 1.83 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.49 7.81 6 T 8.13 3.86 4.45 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 1.26 0.00 0.00 7 F 8.32 4.11 0.00 3.28 3.34 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 8 N 8.70 4.20 0.00 2.92 2.86 0.00 0.00 7.08 7.45 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 9 S 8.30 4.11 0.00 3.98 3.90 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 10 E 7.79 3.89 0.00 1.89 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 2.46 2.47 0.00 11 L 7.65 3.66 0.00 0.77 1.37 0.32 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.22 4.05 0.00 3.20 2.91 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 13 S 8.11 4.48 0.00 4.24 4.39 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 14 L 7.72 4.02 0.00 1.52 1.65 0.44 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.84 3.96 0.00 2.32 2.60 0.00 0.00 7.01 8.03 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 16 D 8.14 4.58 0.00 2.46 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.41 4.72 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 18 K 8.64 4.38 0.00 1.76 1.77 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.44 7.81 19 P 0.00 4.58 0.00 1.98 1.95 0.00 3.56 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.03 0.00 20 P 0.00 4.46 0.00 2.22 2.10 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 21 I 8.24 3.97 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.92 0.83 0.00 0.00 22 S 8.28 4.32 0.00 3.99 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 23 K 8.56 3.87 0.00 1.78 1.86 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.46 7.81 24 A 7.89 3.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.00 3.76 0.00 1.48 1.55 0.00 1.42 0.00 0.00 1.45 0.00 0.00 2.77 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.92 1.28 7.81 26 M 8.02 4.02 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 27 T 8.27 3.85 4.42 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 1.20 0.00 0.00 28 Q 8.08 4.04 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 29 I 7.79 3.70 2.01 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.95 0.00 0.00 30 T 8.17 3.93 4.39 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 1.27 0.00 0.00 31 K 8.54 3.98 0.00 1.81 1.91 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.63 7.81 32 A 7.98 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.21 3.84 1.14 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 34 I 7.99 3.97 1.98 0.00 0.00 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 1.81 1.44 1.20 0.00 0.00 35 K 8.41 4.22 0.00 2.02 1.98 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.64 7.81 36 A 7.68 4.89 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 37 I 7.81 3.66 2.09 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.97 0.89 0.00 0.00 38 K 8.05 3.73 0.00 1.50 1.16 0.00 1.53 0.00 0.00 1.13 0.00 0.00 2.52 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.45 1.15 7.81 39 F 8.10 4.83 0.00 3.18 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 40 Y 7.81 4.13 0.00 2.23 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 41 K 6.77 3.57 0.00 1.54 1.65 0.00 1.36 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.88 0.21 7.81 42 H 8.12 4.17 0.00 3.42 3.39 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.88 3.45 2.34 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 0.33 0.00 0.00 0.78 0.00 0.00 44 V 7.88 3.32 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 0.79 0.00 0.00 0.32 0.00 0.00 45 Q 8.10 4.00 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 46 S 8.52 4.27 0.00 4.42 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 47 V 8.29 3.84 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 1.37 0.00 0.00 1.43 0.00 0.00 48 E 8.84 4.13 0.00 2.29 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 2.56 2.75 0.00 49 K 8.59 3.99 0.00 2.09 2.03 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.55 7.81 50 F 8.61 4.08 0.00 3.32 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 51 I 8.03 3.74 2.09 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 1.51 1.00 0.86 0.00 0.00 52 Q 8.29 4.08 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 53 K 7.78 4.32 0.00 1.78 1.77 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.42 7.81 54 C 7.05 4.08 0.00 2.52 1.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.31 4.10 0.00 2.03 2.03 0.00 1.86 0.00 0.00 2.02 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.50 7.81 56 P 0.00 4.19 0.00 2.09 2.08 0.00 3.55 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 57 E 7.96 3.96 0.00 1.81 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 1.47 1.77 0.00 58 Y 7.78 4.65 0.00 3.08 3.18 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 59 K 7.87 3.90 0.00 1.68 1.72 0.00 1.75 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.53 7.81 60 V 7.52 3.18 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 0.31 0.00 0.00 0.72 0.00 0.00 61 P 0.00 4.35 0.00 2.57 2.26 0.00 3.67 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 2.33 2.22 0.00 62 G 8.50 3.72 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 0.00 0.00 0.00 63 L 7.94 3.91 0.00 1.45 1.54 0.79 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.18 4.47 0.00 3.15 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 65 V 8.06 3.64 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 1.24 0.00 0.00 0.93 0.00 0.00 66 I 7.65 3.33 2.06 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.47 0.34 0.00 0.00 67 D 8.67 4.76 0.00 3.13 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 68 S 8.58 4.10 0.00 3.99 3.87 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 69 I 7.96 3.57 2.02 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 1.28 0.56 0.09 0.00 0.00 70 V 7.94 3.65 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 0.84 0.00 0.00 1.07 0.00 0.00 71 R 8.26 3.93 0.00 1.97 1.99 0.00 3.25 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.98 0.00 72 Q 8.35 3.97 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 73 S 8.60 4.39 0.00 4.21 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 74 R 8.37 4.10 0.00 1.94 1.96 0.00 2.99 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 75 H 8.02 4.08 0.00 3.19 3.51 0.00 5.95 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 76 Q 8.29 3.85 0.00 1.90 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.49 0.00 0.00 0.00 0.00 0.00 1.18 1.98 0.00 77 F 8.42 4.68 0.00 3.15 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 78 G 8.12 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 0.00 0.00 0.00 0.00 79 Q 8.50 4.00 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 80 E 8.10 4.10 0.00 1.93 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 2.29 2.25 0.00 81 K 7.69 4.19 0.00 1.92 1.82 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.41 7.81 82 D 7.69 4.30 0.00 2.69 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 83 V 7.87 3.66 0.67 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 0.35 0.00 0.00 -0.36 0.00 0.00 84 F 8.90 4.10 0.00 3.28 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 85 A 8.59 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.28 0.00 1.99 2.12 0.00 3.72 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 87 R 7.90 4.10 0.00 2.09 2.08 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 88 F 8.94 4.47 0.00 3.53 3.18 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 89 S 8.54 4.44 0.00 4.21 4.58 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 90 N 7.90 4.42 0.00 2.84 2.98 0.00 0.00 6.90 9.18 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 91 N 7.46 4.99 0.00 3.15 2.87 0.00 0.00 6.74 7.25 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 92 I 7.65 3.90 2.17 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.92 0.00 0.00 93 I 7.80 3.77 1.93 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 1.67 0.73 0.98 0.00 0.00 94 S 8.17 4.19 0.00 4.11 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 95 T 8.22 3.91 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 1.18 0.00 0.00 96 F 8.77 3.59 0.00 3.21 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 97 Q 8.29 4.21 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.52 2.73 0.00 98 N 8.20 4.52 0.00 2.89 2.83 0.00 0.00 7.05 6.76 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 99 L 7.86 3.82 0.00 1.09 1.14 -0.40 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.72 4.61 0.00 3.01 2.92 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 0.00 101 R 7.72 4.41 0.00 2.03 1.94 0.00 3.17 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 102 C 7.17 4.53 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.33 1.98 0.00 3.71 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 2.04 2.03 0.00 104 G 8.99 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 0.00 105 D 7.98 4.53 0.00 2.78 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 0.00 106 D 8.23 4.61 0.00 2.82 2.66 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 0.00 107 K 7.80 4.04 0.00 1.84 1.90 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.61 7.81 108 S 8.06 4.21 0.00 4.05 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 0.00 109 K 7.97 4.03 0.00 1.92 1.89 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.47 7.81 110 I 7.62 3.60 2.13 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.44 0.85 0.00 0.00 111 V 7.80 3.62 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 1.06 0.00 0.00 112 R 8.18 3.85 0.00 2.01 2.10 0.00 3.16 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 113 V 7.50 3.37 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 0.05 0.00 0.00 1.04 0.00 0.00 114 L 7.79 3.78 0.00 1.84 1.67 0.93 0.21 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 0.00 115 N 8.46 4.39 0.00 2.93 2.88 0.00 0.00 7.05 7.04 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 0.00 116 L 8.03 4.08 0.00 1.86 1.81 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 117 W 8.57 4.59 0.00 3.67 3.42 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 0.00 118 Q 8.58 4.06 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 119 K 8.18 4.03 0.00 1.84 2.09 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.52 7.81 120 N 8.25 4.79 0.00 2.92 2.87 0.00 0.00 7.16 7.59 0.00 0.00 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 N 8.02 4.26 0.00 2.88 2.88 0.00 0.00 6.84 7.45 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 0.00 122 V 8.16 3.53 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 -0.06 0.00 0.00 0.96 0.00 0.00 123 F 7.68 4.87 0.00 3.01 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 0.00 124 K 8.48 4.34 0.00 1.88 1.77 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.49 7.81 125 S 8.85 4.22 0.00 3.89 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 0.00 126 E 8.22 4.22 0.00 2.14 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 0.00 2.32 2.44 0.00 127 I 7.77 4.01 2.07 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 1.60 1.26 0.73 0.00 0.00 128 I 7.62 3.81 1.95 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.94 1.02 0.00 0.00 129 Q 8.51 3.97 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 130 P 0.00 4.27 0.00 2.18 2.09 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 131 L 7.25 4.03 0.00 1.56 1.17 0.12 0.30 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 0.00 132 L 8.08 4.05 0.00 1.85 1.72 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.50 4.38 0.00 2.82 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 0.00 134 M 8.31 4.00 0.00 2.12 2.46 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.62 0.00 135 A 7.34 3.23 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 0.00 136 A 7.91 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.09 3.92 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 0.00 138 L 7.55 3.85 0.00 1.63 1.60 0.56 1.36 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 0.00 139 E 7.61 4.03 0.00 1.82 1.85 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 2.43 2.38 0.00 140 H 7.47 4.68 0.00 3.22 3.27 0.00 5.65 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 H 7.56 4.55 0.00 3.23 3.17 0.00 5.69 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