NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7528 8.0393 120.2816 61.2870 32.5305 174.2909 2 E 4.2683 8.3955 122.8485 53.7174 30.9519 173.6918 3 W 5.0809 8.4073 124.1048 55.3624 32.0287 177.9110 4 T 4.4771 9.0918 113.3840 61.0823 71.0105 175.8937 5 D 4.3655 8.5990 121.7616 57.4365 40.8000 179.0656 6 K 3.9800 8.0312 119.7398 59.4529 32.3071 178.5693 7 E 4.0392 8.7672 119.3315 59.5900 29.3973 179.4251 8 R 3.7054 8.3132 118.3578 59.3189 29.9997 179.1375 9 S 4.0525 8.0368 112.6816 61.2101 62.3637 176.0648 10 I 3.6873 7.8845 122.6284 64.5799 36.9277 178.5186 11 I 3.7727 7.6908 120.3753 64.3455 36.9585 178.2151 12 S 4.0416 8.0577 114.1319 61.6531 61.9238 175.9066 13 D 4.3211 8.1505 119.3265 57.2327 41.4090 177.7524 14 I 3.7713 8.1066 120.7656 64.6269 36.9976 178.3187 15 F 4.1577 8.2615 116.1408 59.3613 38.8477 177.2330 16 S 4.4482 7.8129 112.6210 60.1661 63.3098 174.9456 17 H 4.6830 7.6342 117.5442 55.0269 29.5740 174.6531 18 M 3.9818 7.4418 121.0756 55.0751 32.8636 175.7160 19 D 4.7924 8.2488 124.8103 53.0805 41.7992 176.4267 20 Y 3.9395 8.7451 126.0189 61.0005 37.7703 178.0740 21 D 4.4578 8.3124 119.1023 56.5649 40.8197 177.7879 22 D 4.5208 7.9591 118.1641 56.9196 41.7358 178.3151 23 I 3.7766 7.9179 120.5270 64.1306 37.1239 178.4620 24 G 3.7166 8.1784 106.5997 47.5773 0.0000 173.8380 25 P 4.2943 0.0000 0.0000 65.0184 31.3937 178.9070 26 K 3.9399 7.7875 116.7330 59.4229 31.8990 179.3114 27 A 3.9761 8.5551 121.4921 54.9013 18.3132 179.4913 28 L 3.9429 8.0871 118.9901 58.0970 41.6503 179.2131 29 S 3.9771 8.3650 115.6484 61.6825 62.7887 176.6202 30 R 3.8350 8.1054 121.3614 59.6167 29.7050 178.0434 31 C 4.1086 8.0355 118.4093 62.5008 31.6877 175.4209 32 L 3.9957 7.7855 121.2723 56.1379 40.9161 179.3840 33 I 3.6810 7.0275 119.0943 64.1010 37.5068 178.1149 34 V 3.4779 7.9753 117.7884 64.5472 32.7468 175.6972 35 Y 3.8268 7.5959 115.6984 54.6604 38.0817 174.1979 36 P 4.8116 0.0000 0.0000 63.4178 32.0281 177.5810 37 W 4.4439 7.5262 115.7155 58.5822 28.2418 177.6741 38 T 4.1530 7.7455 111.3487 64.0346 68.3169 175.9200 39 Q 4.4071 8.0228 121.1397 57.6626 28.4075 177.6830 40 R 3.8914 7.6265 119.9894 59.2001 29.9096 176.2834 41 H 4.6341 7.2362 111.3094 55.3059 28.8872 174.7983 42 F 4.1051 7.6223 117.8928 56.2362 39.7290 176.6606 43 S 3.6824 8.1583 111.9574 63.6826 62.7548 176.5809 44 G 4.1219 8.6962 106.3246 46.9646 0.0000 174.7556 45 F 4.4265 8.3231 117.1369 57.9472 38.9642 175.3588 46 G 3.8305 7.6359 105.6975 43.9353 0.0000 172.2262 47 N 4.6412 8.5422 117.5099 53.7327 38.9456 174.9991 48 L 4.7533 8.8022 126.1116 54.9131 42.3986 176.9642 49 Y 4.2750 9.7935 119.5089 56.1013 36.7756 172.1287 50 N 4.3142 8.3020 118.2168 51.4134 40.8307 175.3709 51 A 3.9906 8.5312 128.4475 55.2394 18.6674 179.7977 52 E 3.8838 8.4705 116.4519 59.5710 29.4045 179.2564 53 A 4.0598 8.1090 119.1097 55.0996 18.7404 179.3909 54 I 3.8536 7.7250 118.3235 64.5937 37.1580 178.5393 55 I 4.0509 7.5425 120.2754 62.3865 37.0066 177.4740 56 G 4.0880 7.5443 104.4840 43.3902 0.0000 173.6619 57 N 4.4783 7.7445 121.0011 53.2809 39.8791 175.2417 58 A 4.0550 8.6538 130.2775 55.3283 18.6508 179.0111 59 N 4.2432 8.1553 114.6897 56.3031 38.5665 177.6879 60 V 3.7178 8.8480 120.0315 65.8063 31.7221 177.9536 61 A 3.9792 8.1856 120.3149 55.2875 18.3203 179.5124 62 A 4.0368 8.5239 119.7030 55.5958 18.4400 179.3194 63 H 4.4923 8.6647 116.8655 59.0934 29.8924 177.6929 64 G 3.7499 8.4851 107.9607 47.4157 0.0000 175.9638 65 I 3.9306 7.8356 122.0775 64.0467 37.1471 178.1859 66 K 3.9996 8.1196 120.5508 59.6892 31.8457 178.9436 67 V 3.6888 7.6873 117.0234 66.0204 31.7357 177.4120 68 L 4.2742 7.9932 119.8270 58.5600 41.9468 178.6899 69 H 4.6520 8.8902 116.3257 58.4864 28.4104 177.6657 70 G 3.9183 8.1817 106.6195 47.0281 0.0000 175.0768 71 L 4.5622 8.1726 122.4907 56.5159 41.7699 178.5889 72 D 4.3868 8.1962 119.7953 57.5821 40.8306 179.1539 73 R 4.0371 8.1291 115.8550 59.1605 29.0979 178.9650 74 G 3.8768 8.1071 105.8758 47.5850 0.0000 175.6646 75 V 3.4396 7.6070 119.4022 65.5723 31.5976 177.5813 76 K 4.0892 7.9333 118.6839 57.9174 33.4033 176.6500 77 N 5.1406 7.9147 115.6924 52.4814 38.7801 175.6983 78 M 4.3039 7.9613 117.7128 57.9330 32.7214 177.7363 79 D 5.0691 8.1355 115.8760 54.2102 41.7611 175.5765 80 N 5.1749 8.1418 118.8226 52.6651 39.8203 176.6734 81 I 3.9295 8.2451 119.6951 63.9197 37.1908 177.1722 82 A 4.0287 8.1537 120.2010 55.4542 18.5819 179.1320 83 A 4.1151 8.0048 118.5091 55.5736 18.3059 179.7410 84 T 3.7689 7.8053 113.4285 66.6294 68.3588 175.4871 85 Y 4.3058 7.9606 116.0771 57.8914 37.9911 177.2412 86 A 4.0671 7.7811 124.0446 55.5606 18.5423 179.9033 87 D 4.3228 8.0377 116.7032 57.0679 40.9853 178.5926 88 L 4.0677 7.9043 120.7929 57.9660 42.1358 178.7509 89 S 4.2926 8.5131 113.7376 61.8453 62.3856 176.3794 90 T 3.8414 8.2043 118.7245 66.2013 68.0504 176.6287 91 L 3.9207 7.8884 122.6121 58.4178 42.1570 178.6848 92 H 4.1441 8.3273 116.2431 58.7979 28.4066 177.8641 93 S 3.6031 7.7581 114.8052 61.1139 61.9686 175.6497 94 E 4.1525 7.9089 118.7783 57.0612 29.7045 177.5128 95 K 4.2246 7.6797 117.6038 58.0627 33.5566 177.4466 96 L 4.1798 7.7994 117.0172 54.6235 42.1427 176.4180 97 H 4.2029 7.3036 114.4017 56.6547 26.6242 175.0137 98 V 3.7327 7.9166 119.3969 61.7682 32.1450 175.0271 99 D 4.2740 8.7497 127.4651 53.8171 41.5567 175.0174 100 P 3.0257 0.0000 0.0000 64.2026 31.9642 177.7999 101 D 4.2502 8.3678 119.3457 57.2447 40.8929 177.5544 102 N 4.3654 7.8473 116.8523 56.1207 38.4103 177.2542 103 F 4.4649 7.5443 119.5294 60.3662 38.9054 177.5417 104 K 3.9762 7.9818 119.2512 59.3404 32.0054 178.9855 105 L 3.6904 7.6728 118.7802 57.6544 41.6420 178.9871 106 L 4.0178 8.1687 120.5023 58.2267 41.9804 178.9769 107 S 4.1535 8.1521 115.0822 62.0216 62.7721 176.6167 108 D 4.4677 8.3511 121.3411 57.5086 40.4216 178.7081 109 C 4.2082 8.1442 117.3882 62.7807 28.0562 176.0615 110 I 3.7322 8.3923 121.8050 64.7799 36.7253 178.5334 111 T 4.1550 8.2569 116.5057 66.9564 68.2259 176.7908 112 I 3.6926 8.0441 121.7936 64.0816 37.0899 178.7259 113 V 3.4812 8.0400 119.6245 65.7487 31.3473 177.8261 114 L 3.6358 8.0463 120.2887 57.9392 41.8010 178.7073 115 A 3.1687 7.3258 120.3798 54.8415 17.9373 179.4716 116 A 3.8965 7.3285 118.1430 54.7868 18.5573 179.5291 117 K 3.9532 7.6558 117.6115 59.8456 32.6151 178.7118 118 M 4.1646 8.4901 118.9031 56.7066 32.4573 177.6712 119 G 3.7420 8.4134 108.1849 46.8080 0.0000 175.3472 120 H 4.4737 8.7958 119.0390 57.0806 29.0087 176.2241 121 A 4.1067 7.7110 122.2555 54.5776 18.7380 178.4267 122 F 4.4209 7.9163 120.0597 57.4331 37.5439 174.8524 123 T 4.1404 7.3471 115.8175 60.7086 71.3263 175.1268 124 A 3.9049 8.3940 122.4250 55.5181 18.4507 179.5239 125 E 3.9189 8.0447 117.1192 59.5152 29.7172 179.0115 126 T 3.7777 7.6134 116.0453 66.4773 68.4815 176.4098 127 Q 3.6525 7.8621 121.9444 58.7719 28.8882 178.5286 128 G 3.6165 8.0875 106.5222 47.8530 0.0000 175.4550 129 A 4.1916 7.9082 123.6251 54.6850 18.4418 179.5271 130 F 4.3843 8.5166 119.1848 61.7697 39.4995 177.4280 131 Q 3.9880 8.9283 118.1139 58.5994 28.4464 178.5108 132 K 3.9112 8.5297 121.1552 59.5321 32.2717 178.4766 133 F 4.5974 8.6375 120.7206 61.6372 39.3723 177.0499 134 L 3.5956 8.0036 118.2998 57.5925 41.3206 179.4088 135 A 3.9704 8.3236 121.1824 55.1195 18.4129 179.9016 136 V 3.4747 7.7415 116.8526 65.8852 31.4917 178.5343 137 V 3.0845 7.4069 118.1861 65.6437 31.3070 178.2191 138 V 3.3113 7.9254 118.4555 65.9362 31.0859 178.2289 139 S 4.0807 7.8953 113.9882 61.2499 62.8636 176.0861 140 A 4.1350 7.6795 123.0292 55.4132 17.9617 179.7252 141 L 3.9099 7.6846 116.0889 57.3720 41.6191 179.1599 142 G 3.9625 7.5685 102.5845 45.1631 0.0000 175.2410 143 K 4.2297 8.1260 122.2654 58.9546 32.2670 177.0012 144 Q 4.3129 8.0582 116.4174 55.9751 28.8642 175.3403 145 Y 4.0984 8.0508 117.0708 57.5805 37.5398 175.4708 146 H 4.6340 8.5688 121.3050 55.8217 29.2139 174.7076 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 V 8.04 3.75 1.71 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 0.73 0.00 0.00 -0.42 0.00 0.00 2 E 8.40 4.27 0.00 2.13 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 2.08 2.29 0.00 3 W 8.41 5.08 0.00 3.31 3.13 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 4 T 9.09 4.48 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 1.28 0.00 0.00 5 D 8.60 4.37 0.00 2.74 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.03 3.98 0.00 1.85 1.84 0.00 1.74 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.54 7.81 7 E 8.77 4.04 0.00 2.44 2.30 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 2.53 2.49 0.00 8 R 8.31 3.71 0.00 1.97 1.89 0.00 3.13 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.80 0.00 9 S 8.04 4.05 0.00 3.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.88 3.69 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 0.94 0.00 0.00 11 I 7.69 3.77 1.58 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 1.05 0.68 0.31 0.00 0.00 12 S 8.06 4.04 0.00 3.88 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 13 D 8.15 4.32 0.00 2.73 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 14 I 8.11 3.77 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.98 0.35 0.00 0.00 15 F 8.26 4.16 0.00 2.96 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.81 4.45 0.00 3.99 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 17 H 7.63 4.68 0.00 3.15 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 M 7.44 3.98 0.00 1.57 1.76 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 19 D 8.25 4.79 0.00 2.75 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 0.00 0.00 0.00 0.00 20 Y 8.75 3.94 0.00 3.03 2.98 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 21 D 8.31 4.46 0.00 2.83 2.77 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 0.00 0.00 0.00 0.00 22 D 7.96 4.52 0.00 2.78 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 23 I 7.92 3.78 1.73 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 1.53 0.43 0.80 0.00 0.00 24 G 8.18 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 25 P 0.00 4.29 0.00 2.18 2.13 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 26 K 7.79 3.94 0.00 1.88 1.82 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.53 7.81 27 A 8.56 3.98 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 28 L 8.09 3.94 0.00 1.83 1.66 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.37 3.98 0.00 4.09 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.11 3.83 0.00 1.93 2.05 0.00 3.06 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 31 C 8.04 4.11 0.00 3.20 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 32 L 7.79 4.00 0.00 1.59 1.53 0.46 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.03 3.68 1.87 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 1.32 0.59 0.81 0.00 0.00 34 V 7.98 3.48 1.61 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 -0.15 0.00 0.00 0.76 0.00 0.00 35 Y 7.60 3.83 0.00 2.58 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.81 0.00 2.12 1.96 0.00 3.67 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 37 W 7.53 4.44 0.00 3.56 3.50 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 0.00 0.00 0.00 0.00 38 T 7.75 4.15 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 1.05 0.00 0.00 39 Q 8.02 4.41 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 40 R 7.63 3.89 0.00 1.96 1.78 0.00 3.23 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.63 0.00 41 H 7.24 4.63 0.00 2.44 2.81 0.00 5.65 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.62 4.11 0.00 2.62 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 0.00 0.00 0.00 43 S 8.16 3.68 0.00 3.92 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 44 G 8.70 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.32 4.43 0.00 3.07 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 46 G 7.64 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 47 N 8.54 4.64 0.00 2.74 2.82 0.00 0.00 6.71 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.80 4.75 0.00 1.59 1.56 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 9.79 4.28 0.00 2.97 2.96 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 50 N 8.30 4.31 0.00 2.93 2.91 0.00 0.00 6.97 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.53 3.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.47 3.88 0.00 2.10 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 2.39 2.32 0.00 53 A 8.11 4.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.73 3.85 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.94 0.82 0.00 0.00 55 I 7.54 4.05 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.99 0.89 0.00 0.00 56 G 7.54 4.09 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 0.00 0.00 0.00 57 N 7.74 4.48 0.00 3.02 2.83 0.00 0.00 7.01 7.44 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 58 A 8.65 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.16 4.24 0.00 2.84 2.02 0.00 0.00 6.78 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.85 3.72 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 0.99 0.00 0.00 0.79 0.00 0.00 61 A 8.19 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.52 4.04 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.66 4.49 0.00 3.71 3.63 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.49 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.84 3.93 1.98 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 1.71 0.99 1.09 0.00 0.00 66 K 8.12 4.00 0.00 1.91 1.99 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.51 7.81 67 V 7.69 3.69 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.04 0.00 0.00 68 L 7.99 4.27 0.00 2.08 2.01 0.97 1.35 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 69 H 8.89 4.65 0.00 3.52 3.37 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.18 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 0.00 0.00 0.00 71 L 8.17 4.56 0.00 2.27 2.11 1.33 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.20 4.39 0.00 2.94 2.77 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 0.00 0.00 0.00 0.00 73 R 8.13 4.04 0.00 1.86 2.09 0.00 2.21 0.00 0.00 2.98 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.01 0.00 74 G 8.11 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 75 V 7.61 3.44 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 0.55 0.00 0.00 -0.18 0.00 0.00 76 K 7.93 4.09 0.00 1.83 1.96 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.42 1.49 7.81 77 N 7.91 5.14 0.00 2.93 2.73 0.00 0.00 6.92 7.58 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 78 M 7.96 4.30 0.00 1.63 2.03 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.66 0.00 79 D 8.14 5.07 0.00 2.74 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.14 5.17 0.00 2.79 2.72 0.00 0.00 7.19 7.51 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 81 I 8.25 3.93 2.03 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.80 1.04 0.00 0.00 82 A 8.15 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.00 4.12 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.81 3.77 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 0.90 0.00 0.00 85 Y 7.96 4.31 0.00 3.11 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 86 A 7.78 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.04 4.32 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 88 L 7.90 4.07 0.00 1.81 1.91 1.01 0.95 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 89 S 8.51 4.29 0.00 4.17 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 90 T 8.20 3.84 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 1.18 0.00 0.00 91 L 7.89 3.92 0.00 1.78 1.85 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.33 4.14 0.00 3.60 3.80 0.00 5.86 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.76 3.60 0.00 2.72 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 94 E 7.91 4.15 0.00 2.01 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 2.23 2.28 0.00 95 K 7.68 4.22 0.00 1.76 1.76 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.47 7.81 96 L 7.80 4.18 0.00 1.74 1.61 0.73 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.30 4.20 0.00 3.35 3.42 0.00 5.65 0.00 0.00 0.00 0.00 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.92 3.73 2.22 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 0.49 0.00 0.00 0.73 0.00 0.00 99 D 8.75 4.27 0.00 2.69 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 0.00 100 P 0.00 3.03 0.00 1.97 1.53 0.00 3.43 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.29 0.00 101 D 8.37 4.25 0.00 2.69 2.62 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 0.00 102 N 7.85 4.37 0.00 2.77 2.83 0.00 0.00 6.90 7.76 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 0.00 103 F 7.54 4.46 0.00 3.10 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.98 3.98 0.00 1.84 1.81 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 105 L 7.67 3.69 0.00 1.65 0.90 0.98 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.17 4.02 0.00 1.83 1.76 0.99 1.44 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 0.00 107 S 8.15 4.15 0.00 4.03 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 0.00 108 D 8.35 4.47 0.00 2.90 2.82 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 0.00 109 C 8.14 4.21 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 0.00 110 I 8.39 3.73 2.15 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 1.59 0.98 1.15 0.00 0.00 111 T 8.26 4.15 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 1.57 0.00 0.00 112 I 8.04 3.69 1.86 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 1.41 1.57 0.86 0.00 0.00 113 V 8.04 3.48 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 0.91 0.00 0.00 0.91 0.00 0.00 114 L 8.05 3.64 0.00 1.44 1.30 0.58 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.33 3.17 0.99 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 0.00 0.00 116 A 7.33 3.90 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 0.00 117 K 7.66 3.95 0.00 1.66 1.81 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.40 7.81 118 M 8.49 4.16 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 119 G 8.41 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 0.00 0.00 0.00 120 H 8.80 4.47 0.00 3.19 3.36 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.71 4.11 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 0.00 122 F 7.92 4.42 0.00 2.89 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 0.00 123 T 7.35 4.14 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 1.24 0.00 0.00 124 A 8.39 3.90 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 0.00 125 E 8.04 3.92 0.00 2.03 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 2.37 2.40 0.00 126 T 7.61 3.78 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 1.01 0.00 0.00 127 Q 7.86 3.65 0.00 1.61 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 128 G 8.09 3.62 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 0.00 0.00 0.00 129 A 7.91 4.19 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.52 4.38 0.00 3.28 3.37 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 0.00 0.00 0.00 0.00 131 Q 8.93 3.99 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.52 2.72 0.00 132 K 8.53 3.91 0.00 2.02 2.29 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.13 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.40 1.38 7.81 133 F 8.64 4.60 0.00 3.22 3.27 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 0.00 134 L 8.00 3.60 0.00 1.68 1.54 0.77 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.32 3.97 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 0.00 136 V 7.74 3.47 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 1.01 0.00 0.00 0.85 0.00 0.00 137 V 7.41 3.08 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 0.12 0.00 0.00 0.16 0.00 0.00 138 V 7.93 3.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.89 0.00 0.00 139 S 7.90 4.08 0.00 3.94 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 0.00 140 A 7.68 4.14 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 0.00 141 L 7.68 3.91 0.00 1.19 0.73 0.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.57 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 0.00 0.00 0.00 143 K 8.13 4.23 0.00 1.99 1.90 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.64 7.81 144 Q 8.06 4.31 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 145 Y 8.05 4.10 0.00 3.03 2.98 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 0.00 146 H 8.57 4.63 0.00 3.13 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00