NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 M 4.1523 8.3044 118.1324 55.0099 32.3354 174.3338 -2 R 4.2009 7.6632 118.9821 54.0822 33.0433 173.1427 -1 G 4.2459 8.7481 114.1627 44.3845 0.0000 173.2853 0 S 4.4520 9.0093 117.4869 59.7108 63.8618 174.0693 1 T 4.6082 7.3644 113.1633 61.1755 69.7010 173.2444 2 R 3.8352 8.2423 124.0946 57.4424 30.4703 176.4883 3 D 4.5590 8.1055 117.6799 54.3744 40.0783 175.4104 4 Q 4.7035 9.4898 125.2598 55.2722 29.4846 176.2448 5 N 4.4398 8.0480 115.9611 53.8777 39.2910 175.2773 6 G 3.7125 7.5070 108.1176 44.1796 0.0000 171.3383 7 T 5.0141 7.9217 116.8901 61.4305 71.4673 173.8748 8 W 5.3594 9.2726 125.4940 54.8277 33.4105 173.6815 9 E 5.0861 9.4211 125.5354 54.1438 31.7062 174.7263 10 M 3.5636 8.8937 128.0275 55.9453 32.0476 175.4712 11 E 4.6440 8.9032 123.6854 56.6428 31.9401 175.9819 12 S 4.5886 7.3756 113.3481 57.4028 66.4968 173.1639 13 N 5.1647 8.3219 119.7952 52.7072 41.7322 173.2331 14 E 4.5705 8.9077 125.7247 54.9742 33.7994 175.7247 15 N 4.2194 9.0592 121.2747 54.6444 37.7407 175.7982 16 F 4.5932 8.3575 120.2954 60.7839 39.3257 175.7270 17 E 3.8590 8.3385 118.8187 59.1769 29.4851 178.9107 18 G 3.6915 7.9682 107.1865 47.3132 0.0000 174.9226 19 Y 4.1554 8.0257 121.9162 60.8533 38.8601 178.1901 20 M 3.7374 8.1821 119.7230 58.1630 31.9267 178.6774 21 K 3.8553 8.3619 119.9348 59.4353 32.1367 178.7229 22 A 3.9566 7.9212 120.0719 54.5278 18.3233 178.5793 23 L 4.1322 7.0561 115.1848 54.2001 41.8937 176.6853 24 D 4.4701 7.8977 117.6809 55.0643 38.8137 173.9989 25 I 3.8239 7.4342 120.5182 60.9399 37.7128 176.7400 26 D 4.6014 8.4863 124.7383 52.9246 41.4021 177.0800 27 F 3.9447 8.9083 122.5099 61.7356 39.4527 177.3781 28 A 4.0637 8.2567 119.6131 55.4766 18.2386 179.5953 29 T 3.8072 8.4190 114.3089 66.8024 68.5571 177.0971 30 R 3.7583 7.9561 119.9541 59.2354 29.8321 179.3182 31 K 3.7808 7.5372 117.0445 59.2530 32.0141 179.3025 32 I 3.6147 7.1997 118.7473 64.2438 37.3749 177.9884 33 A 4.3785 8.0048 121.4794 54.2245 18.2712 179.7771 34 V 3.8187 7.6022 116.8834 64.5951 31.2981 177.6538 35 R 4.6165 7.8338 116.5509 55.3380 30.6798 175.1037 36 L 4.3677 7.7213 118.3910 53.8554 42.3689 177.2441 37 T 3.8773 8.4816 120.7142 63.9558 69.1184 173.4673 38 Q 5.0122 8.3667 124.2958 54.6624 31.9110 174.4217 39 T 5.2292 8.9158 118.8955 61.6876 71.8913 172.9661 40 K 4.9835 9.4900 127.2443 54.5605 35.1635 174.5730 41 V 4.8200 9.0317 127.8667 61.2412 33.9991 174.0657 42 I 4.8549 9.0568 129.2477 59.5378 40.0970 173.9989 43 D 5.0312 9.1429 127.6298 52.5411 43.1774 174.3900 44 Q 4.3785 8.4664 127.3131 54.1083 31.5743 174.3009 45 D 4.6163 8.9039 126.6481 52.7210 43.4002 177.0736 46 G 3.8612 8.2029 118.8537 47.0703 0.0000 173.8690 47 D 4.8362 8.9536 126.8620 54.8465 41.4421 174.7135 48 N 5.2537 8.3346 118.8057 52.0602 40.1853 174.0258 49 F 5.0394 9.1445 123.2944 55.3654 42.2057 174.7128 50 K 5.3958 9.2672 122.4275 53.7455 35.2843 175.2573 51 T 5.1567 8.8536 115.0180 59.7663 72.3518 173.1310 52 K 5.4010 8.9409 122.5949 53.9247 36.1733 175.1517 53 T 5.2143 9.0573 122.0195 61.9407 71.2029 173.3120 54 T 5.1142 9.2532 117.2496 60.0157 72.2775 173.1909 55 S 5.1094 8.3960 117.2156 57.2098 66.5598 173.7568 56 T 4.1725 8.7605 107.9496 62.6150 68.2581 174.6078 57 F 4.8537 7.6315 123.6698 58.8322 40.8273 175.2905 58 R 4.5091 7.4017 116.6420 54.2848 34.1381 173.9949 59 N 5.3500 8.3716 116.0882 51.8103 41.7717 173.6519 60 Y 4.5416 8.9785 122.5109 56.0841 41.4652 173.9781 61 D 5.2894 7.8722 126.4043 52.4385 44.4107 175.6395 62 V 4.8014 8.4896 121.2302 60.4632 35.4626 173.2797 63 D 5.4140 8.6245 123.1038 52.7412 44.3932 174.7714 64 F 4.7020 8.1137 115.2249 56.3626 42.1029 172.6318 65 T 5.1966 8.2769 115.9001 61.3787 71.1003 174.2954 66 V 3.8654 8.9148 127.0072 64.8353 31.8915 175.9951 67 G 3.8583 9.3702 114.9687 45.8365 0.0000 173.2081 68 V 4.3252 7.6501 118.3435 60.2475 33.1091 175.1808 69 E 4.5822 8.8553 127.3740 57.0564 29.9911 176.5504 70 F 5.0399 8.9420 117.4018 55.2730 42.1985 173.4364 71 D 4.8767 8.9576 120.2255 53.9158 41.3360 175.0993 72 E 4.5953 8.8930 129.1883 55.2652 30.8623 174.3507 73 Y 5.0665 8.7794 129.8977 55.8944 39.5813 176.2465 74 T 4.6656 8.3770 123.6329 59.7308 66.9124 176.4068 75 K 4.2685 7.4228 120.5591 60.0153 33.0002 178.4557 76 S 4.5745 8.1950 112.6406 58.9761 64.7591 173.8601 77 L 4.5423 8.1879 116.6612 54.9733 41.8411 176.4558 78 D 4.6339 9.2271 124.2226 52.8816 41.2227 176.5579 79 N 3.7581 8.1315 117.1063 55.0431 36.6725 173.2922 80 R 4.9684 7.9243 115.4058 54.8971 34.3379 175.2912 81 H 5.4960 8.7696 116.7750 54.4702 30.7214 174.9856 82 V 4.5885 8.6413 115.4569 59.2786 36.0410 175.1627 83 K 4.5473 9.0506 125.8717 55.7721 32.6391 175.1265 84 A 4.7681 8.2892 130.6922 50.3428 21.0058 175.5054 85 L 4.7663 8.4423 123.1838 53.2621 45.8203 175.0239 86 V 4.4348 8.3170 126.0955 61.2200 33.7441 174.3393 87 T 4.8685 8.6328 117.2611 59.6444 72.7856 172.5693 88 W 5.1241 8.7082 122.0433 55.8372 30.6908 176.1265 89 E 4.5667 9.5746 124.8890 55.1281 30.9076 177.1883 90 G 3.8255 8.2791 116.2590 47.2208 0.0000 172.7993 91 D 4.7613 8.7650 122.6574 53.6005 41.3388 174.6163 92 V 4.8879 8.2110 120.2986 61.1874 33.8193 174.1940 93 L 4.2742 9.3010 131.2154 54.2410 43.2690 175.2137 94 V 4.5183 8.7403 127.3533 61.0958 34.0733 173.5576 95 C 4.5124 8.3364 128.5818 57.1545 33.7858 172.2764 96 V 4.3681 8.1795 126.1024 61.2100 33.5700 174.2993 97 Q 4.8608 8.8083 128.0090 54.0478 29.4659 174.8747 98 K 4.1067 9.0366 124.7617 55.0294 33.3974 177.6007 99 G 3.8312 8.0522 110.1288 46.3198 0.0000 171.7945 100 E 4.0322 8.9653 120.4282 59.2038 29.8708 178.8434 101 K 4.1715 7.7208 116.6893 56.1339 33.0147 176.7145 102 E 4.2176 8.5652 121.9646 56.9940 30.3295 176.1723 103 N 4.3230 8.5003 116.0921 54.3502 36.3874 174.0866 104 R 4.7447 7.9502 117.6362 54.0321 31.8289 175.8617 105 G 3.5788 7.8741 111.7760 46.6451 0.0000 170.7345 106 W 5.5492 7.0715 115.1247 55.7573 32.1379 173.7454 107 K 5.3587 9.6120 119.7996 54.9513 35.9241 175.3596 108 Q 5.3431 9.8251 125.6907 54.2882 32.5581 173.7543 109 W 5.7621 8.9460 121.9042 55.6608 32.3083 173.1677 110 I 4.7611 8.6313 121.6781 59.9508 39.1818 174.8132 111 E 4.9476 9.1915 126.1383 54.9730 32.5971 178.5410 112 G 4.0233 9.2022 117.6101 46.7039 0.0000 173.0320 113 D 5.1075 9.3949 120.6720 52.6786 40.5224 175.8272 114 K 5.1879 8.2898 118.7703 54.9240 36.5209 174.5820 115 L 4.5765 8.2906 124.4520 53.3340 44.3297 174.6512 116 Y 4.6071 8.3663 123.4500 55.8268 41.1638 174.5639 117 L 4.9935 8.6388 124.5771 53.4538 45.8107 174.2413 118 E 5.2014 9.7863 128.1069 54.5690 32.0226 174.2305 119 L 5.3044 8.9607 127.7588 53.1639 44.3936 175.6747 120 T 5.3287 9.0264 113.1849 60.4243 72.5088 172.5902 121 C 4.8975 9.4128 122.8884 58.4954 35.6287 173.4636 122 G 3.9414 9.3213 116.8118 47.2283 0.0000 173.7162 123 D 4.8573 9.0260 121.9321 52.5859 39.1155 175.3239 124 Q 4.6986 8.3105 119.4765 54.5778 30.6879 174.6080 125 V 4.9384 8.2981 121.0524 61.3010 34.4246 173.7872 126 C 5.0070 9.3438 128.6847 57.6487 33.9381 172.0306 127 R 5.0939 8.7543 126.4020 54.6890 32.2223 174.4203 128 Q 4.9381 9.2330 124.9996 54.0065 32.8879 174.5648 129 V 4.3990 8.2049 121.6892 60.9474 35.1153 174.0853 130 F 5.2529 9.0947 126.0425 55.4348 42.1531 175.0041 131 K 4.7138 9.0523 123.1172 55.8626 34.6488 175.9606 132 K 3.9172 8.1012 124.0019 56.8950 32.1258 176.2620 133 K 4.3431 8.5678 127.1860 57.8506 33.4047 176.9758 134 L 4.6342 7.0171 118.1804 53.2165 46.1222 175.4319 135 V 4.5549 7.9329 114.5503 58.9815 35.1352 174.1626 136 P 4.3634 0.0000 0.0000 65.4197 31.6437 176.8960 137 R 4.1625 7.6565 118.1859 56.6001 28.8738 174.4827 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 -3 M 8.30 4.15 0.00 1.19 0.74 0.00 0.00 0.00 0.00 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.10 0.00 -2 R 7.66 4.20 0.00 1.72 1.73 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 -1 G 8.75 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 0 S 9.01 4.45 0.00 4.01 4.07 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 1 T 7.36 4.61 4.28 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 1.37 0.00 0.00 2 R 8.24 3.84 0.00 1.49 1.34 0.00 2.55 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 3 D 8.11 4.56 0.00 2.66 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 4 Q 9.49 4.70 0.00 2.46 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.50 0.00 0.00 0.00 0.00 0.00 2.51 2.97 0.00 5 N 8.05 4.44 0.00 2.86 2.80 0.00 0.00 6.93 8.67 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 6 G 7.51 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 7 T 7.92 5.01 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 1.16 0.00 0.00 8 W 9.27 5.36 0.00 3.04 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.42 5.09 0.00 2.03 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 2.18 2.23 0.00 10 M 8.89 3.56 0.00 1.81 1.20 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 11 E 8.90 4.64 0.00 1.84 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 0.00 2.08 2.06 0.00 12 S 7.38 4.59 0.00 3.79 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 13 N 8.32 5.16 0.00 2.46 2.58 0.00 0.00 6.80 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 14 E 8.91 4.57 0.00 1.89 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 2.19 2.37 0.00 15 N 9.06 4.22 0.00 3.01 3.07 0.00 0.00 6.85 7.71 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 16 F 8.36 4.59 0.00 3.24 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.34 3.86 0.00 2.08 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 2.34 2.38 0.00 18 G 7.97 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 19 Y 8.03 4.16 0.00 3.17 3.25 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 20 M 8.18 3.74 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.15 0.00 21 K 8.36 3.86 0.00 1.85 1.89 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.44 7.81 22 A 7.92 3.96 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 23 L 7.06 4.13 0.00 1.47 1.51 0.32 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.90 4.47 0.00 2.79 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 25 I 7.43 3.82 1.88 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 1.28 0.35 0.86 0.00 0.00 26 D 8.49 4.60 0.00 2.93 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 8.91 3.94 0.00 3.17 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 28 A 8.26 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.42 3.81 4.46 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 1.42 0.00 0.00 30 R 7.96 3.76 0.00 1.71 1.75 0.00 2.97 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.81 0.00 31 K 7.54 3.78 0.00 1.64 1.68 0.00 1.27 0.00 0.00 1.43 0.00 0.00 2.66 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.69 1.12 7.81 32 I 7.20 3.61 1.31 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.33 -0.21 0.00 0.00 33 A 8.00 4.38 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.60 3.82 2.13 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 0.72 0.00 0.00 0.99 0.00 0.00 35 R 7.83 4.62 0.00 1.78 1.93 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 36 L 7.72 4.37 0.00 1.75 1.66 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.48 3.88 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 1.15 0.00 0.00 38 Q 8.37 5.01 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 39 T 8.92 5.23 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 40 K 9.49 4.98 0.00 1.37 1.28 0.00 0.99 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.18 1.17 7.81 41 V 9.03 4.82 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 0.98 0.00 0.00 0.93 0.00 0.00 42 I 9.06 4.85 2.24 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.72 1.06 0.00 0.00 43 D 9.14 5.03 0.00 2.66 2.45 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 44 Q 8.47 4.38 0.00 1.25 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.73 0.00 0.00 0.00 0.00 0.00 1.88 1.16 0.00 45 D 8.90 4.62 0.00 2.62 2.43 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 46 G 8.20 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 47 D 8.95 4.84 0.00 2.87 2.88 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 48 N 8.33 5.25 0.00 2.74 2.70 0.00 0.00 6.70 7.70 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 49 F 9.14 5.04 0.00 1.53 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 0.00 0.00 0.00 0.00 50 K 9.27 5.40 0.00 1.61 1.70 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.13 7.81 51 T 8.85 5.16 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 52 K 8.94 5.40 0.00 1.66 1.68 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.19 7.81 53 T 9.06 5.21 4.48 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 1.29 0.00 0.00 54 T 9.25 5.11 4.26 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 1.22 0.00 0.00 55 S 8.40 5.11 0.00 3.88 3.93 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 56 T 8.76 4.17 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 57 F 7.63 4.85 0.00 2.86 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.40 4.51 0.00 1.45 1.51 0.00 2.67 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 59 N 8.37 5.35 0.00 2.54 2.92 0.00 0.00 6.67 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 60 Y 8.98 4.54 0.00 3.09 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 61 D 7.87 5.29 0.00 2.45 2.49 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 62 V 8.49 4.80 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.42 0.00 0.00 63 D 8.62 5.41 0.00 2.49 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 64 F 8.11 4.70 0.00 2.90 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 65 T 8.28 5.20 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 1.35 0.00 0.00 66 V 8.91 3.87 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 0.85 0.00 0.00 1.08 0.00 0.00 67 G 9.37 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 68 V 7.65 4.33 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 0.92 0.00 0.00 1.00 0.00 0.00 69 E 8.86 4.58 0.00 1.91 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 2.30 2.36 0.00 70 F 8.94 5.04 0.00 3.09 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 71 D 8.96 4.88 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.89 4.60 0.00 1.79 1.74 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 2.47 2.61 0.00 73 Y 8.78 5.07 0.00 2.94 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 74 T 8.38 4.67 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 1.22 0.00 0.00 75 K 7.42 4.27 0.00 1.81 1.69 0.00 1.15 0.00 0.00 2.36 0.00 0.00 3.14 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.36 1.38 7.81 76 S 8.20 4.57 0.00 4.77 4.21 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 77 L 8.19 4.54 0.00 1.42 1.23 0.53 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 78 D 9.23 4.63 0.00 2.71 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 79 N 8.13 3.76 0.00 2.93 3.00 0.00 0.00 6.79 8.26 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 80 R 7.92 4.97 0.00 1.72 1.85 0.00 3.26 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 81 H 8.77 5.50 0.00 3.08 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.64 4.59 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 0.67 0.00 0.00 0.91 0.00 0.00 83 K 9.05 4.55 0.00 1.75 1.64 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.33 7.81 84 A 8.29 4.77 0.34 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 85 L 8.44 4.77 0.00 1.63 1.32 0.96 0.63 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 86 V 8.32 4.43 1.63 0.00 0.00 0.00 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 0.00 0.00 0.00 87 T 8.63 4.87 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 1.14 0.00 0.00 88 W 8.71 5.12 0.00 3.23 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 89 E 9.57 4.57 0.00 1.98 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 2.22 2.21 0.00 90 G 8.28 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.77 4.76 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.21 4.89 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 0.95 0.00 0.00 0.74 0.00 0.00 93 L 9.30 4.27 0.00 1.41 1.69 -0.70 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.74 4.52 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 0.67 0.00 0.00 0.92 0.00 0.00 95 C 8.34 4.51 0.00 1.23 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.18 4.37 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 0.81 0.00 0.00 0.77 0.00 0.00 97 Q 8.81 4.86 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.61 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 98 K 9.04 4.11 0.00 1.59 1.67 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.48 7.81 99 G 8.05 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.97 4.03 0.00 1.94 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 2.28 2.28 0.00 101 K 7.72 4.17 0.00 1.75 1.69 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.34 7.81 102 E 8.57 4.22 0.00 1.99 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 2.38 2.26 0.00 103 N 8.50 4.32 0.00 3.07 2.90 0.00 0.00 6.83 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 0.00 104 R 7.95 4.74 0.00 1.83 1.96 0.00 3.27 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 105 G 7.87 3.58 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 0.00 106 W 7.07 5.55 0.00 3.43 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 0.00 107 K 9.61 5.36 0.00 1.91 1.86 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.40 7.81 108 Q 9.83 5.34 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 109 W 8.95 5.76 0.00 3.52 3.33 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 0.00 110 I 8.63 4.76 1.99 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 1.09 0.00 0.00 111 E 9.19 4.95 0.00 2.22 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 0.00 2.49 2.16 0.00 112 G 9.20 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 0.00 113 D 9.39 5.11 0.00 2.91 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 0.00 114 K 8.29 5.19 0.00 1.75 1.43 0.00 1.65 0.00 0.00 1.46 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.42 7.81 115 L 8.29 4.58 0.00 0.27 0.60 -0.15 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.37 4.61 0.00 1.43 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 0.00 117 L 8.64 4.99 0.00 1.48 1.41 0.76 0.63 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 0.00 118 E 9.79 5.20 0.00 2.34 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 2.36 0.00 119 L 8.96 5.30 0.00 0.89 0.54 0.61 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 120 T 9.03 5.33 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 1.28 0.00 0.00 121 C 9.41 4.90 0.00 3.02 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 0.00 122 G 9.32 3.94 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 0.00 0.00 0.00 123 D 9.03 4.86 0.00 2.80 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 0.00 124 Q 8.31 4.70 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.65 0.00 125 V 8.30 4.94 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 0.85 0.00 0.00 0.98 0.00 0.00 126 C 9.34 5.01 0.00 3.26 2.59 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 0.00 0.00 0.00 0.00 127 R 8.75 5.09 0.00 2.00 1.78 0.00 3.20 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 128 Q 9.23 4.94 0.00 2.05 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 129 V 8.20 4.40 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.83 0.00 0.00 130 F 9.09 5.25 0.00 2.82 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 0.00 131 K 9.05 4.71 0.00 1.85 2.15 0.00 1.31 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.59 1.42 7.81 132 K 8.10 3.92 0.00 2.08 1.70 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.17 0.73 7.81 133 K 8.57 4.34 0.00 1.59 1.72 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.52 7.81 134 L 7.02 4.63 0.00 1.34 1.33 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.93 4.55 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 0.42 0.00 0.00 0.91 0.00 0.00 136 P 0.00 4.36 0.00 2.02 2.08 0.00 3.70 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 2.01 2.03 0.00 137 R 7.66 4.16 0.00 1.87 1.83 0.00 3.07 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00