NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4023 8.3044 120.3274 54.5722 33.4367 174.6044 2 E 3.7265 8.4355 121.5126 55.3167 30.0887 174.8292 3 A 4.0271 9.4105 129.6728 52.9166 19.8297 177.0566 4 L 4.0329 8.5170 121.5140 56.0616 42.0334 178.4461 5 G 3.8410 9.8449 104.3698 45.1780 0.0000 172.3897 6 A 4.6501 7.4224 116.8234 50.7782 22.1904 176.4172 7 D 4.6908 8.9737 122.2108 53.4920 42.3971 175.7026 8 V 4.5515 8.4393 123.2517 61.4597 33.9879 175.2935 9 T 4.3953 7.8391 122.2550 61.6278 68.6920 173.4411 10 Q 3.8587 8.7212 125.1926 56.4471 28.9011 177.6257 11 G 3.9575 9.0662 110.6895 46.5095 0.0000 172.4021 12 L 5.0454 8.3204 120.8334 52.9763 45.5232 175.1101 13 E 5.1083 8.6889 118.6994 54.0610 34.5234 175.3177 14 K 3.9680 8.4132 123.1280 58.2070 32.4229 177.2564 15 G 4.0212 9.1841 115.4686 45.0214 0.0000 173.9142 16 S 4.3239 8.2518 116.7319 58.6046 64.1935 173.1493 17 L 5.1235 8.4054 123.2476 53.2728 43.1508 175.6893 18 I 4.7226 9.1371 117.1949 59.0900 42.0229 174.2713 19 T 4.3745 8.4975 118.8961 63.3393 69.7368 174.3679 20 C 4.8200 8.5949 127.2239 57.8824 30.7536 173.3026 21 A 4.4732 8.5841 130.5466 49.6175 16.0657 175.2374 22 D 5.1240 7.4725 119.1712 52.9335 42.7898 176.5032 23 N 5.0383 8.6108 114.8799 52.9348 37.6290 175.7301 24 T 3.9619 7.8655 110.1892 63.8441 69.5178 175.2458 25 G 3.9538 8.3857 109.4824 45.0646 0.0000 172.6940 26 A 4.7845 7.3094 121.9121 51.1336 20.3968 176.7187 27 R 4.3986 9.1552 122.5847 57.4378 32.3039 176.1410 28 E 5.1728 8.0476 118.9948 54.1829 32.8195 174.2786 29 L 5.1329 9.1773 126.1763 52.7688 45.3103 175.1624 30 K 4.8303 8.7301 124.7809 54.3350 34.3410 175.4650 31 V 3.8925 8.7741 129.0902 63.6159 31.8865 175.9679 32 I 4.2371 8.6275 128.3390 62.8259 39.2292 175.9007 33 S 4.6694 7.7519 115.0199 57.3496 68.0089 173.4300 34 V 4.5183 8.2017 121.1043 61.0254 33.6349 174.4296 35 H 4.1943 8.9117 128.3997 57.9777 29.9872 175.1960 36 G 3.8524 8.6302 113.3750 46.0411 0.0000 172.1898 37 Y 4.5279 7.7884 120.3911 55.8315 40.0919 175.1257 38 S 4.3186 7.3019 120.0365 56.5472 65.5974 173.3060 39 G 4.0946 8.0619 126.7794 45.4547 0.0000 172.8750 40 T 4.5665 8.1587 118.0371 59.6229 70.5380 172.5901 41 K 3.9929 8.4528 125.4816 58.3673 32.2576 176.5868 42 N 4.6790 9.0387 122.5887 53.4589 37.2752 174.7881 43 R 4.0515 7.6183 118.3819 56.1820 30.6760 175.4187 44 H 4.5911 8.6671 122.6910 54.3017 29.5482 173.2497 45 P 4.5153 0.0000 0.0000 63.3437 31.7628 175.5392 46 K 4.9530 7.9522 123.5302 55.3540 34.7734 175.6478 47 A 4.6694 8.7822 123.0615 50.3160 22.8112 175.3047 48 G 4.4206 9.1756 107.1362 43.8844 0.0000 171.6365 49 L 4.1356 8.7374 122.3621 56.6977 42.1978 177.2597 50 G 4.0951 9.2244 114.5106 45.1691 0.0000 172.6691 51 D 4.9748 7.8352 119.2619 52.7952 43.5538 175.3315 52 K 4.8251 8.6212 123.0415 55.1228 33.8171 175.1335 53 I 5.0516 9.0101 121.1180 59.3598 41.0609 174.8328 54 T 4.6716 8.6915 120.6974 63.3148 70.2078 174.0522 55 V 5.0235 8.8387 123.7744 61.6551 35.8221 173.2403 56 S 5.2367 8.7770 118.9537 56.4400 66.2773 173.7010 57 V 4.2025 8.2825 122.9164 62.7813 31.1592 176.7670 58 T 3.9545 8.6229 125.3221 66.0984 68.7857 175.3726 59 K 4.5755 9.0962 119.8574 53.6524 36.0115 176.9490 60 G 3.5796 8.1471 109.4039 45.8424 0.0000 171.9241 61 T 4.0999 7.6687 110.0347 60.6757 69.5509 173.4715 62 P 4.2153 0.0000 0.0000 66.3840 31.3658 178.4490 63 E 4.1244 8.0221 115.5382 59.4792 29.8933 178.6776 64 M 4.1677 7.6936 118.0685 56.8554 32.3249 176.9489 65 R 4.1437 7.5634 118.4650 57.9880 30.5809 177.0831 66 R 4.0813 8.5789 121.2725 56.5879 29.5971 176.8624 67 Q 4.1521 7.6785 117.2294 55.7983 30.1580 175.7332 68 V 4.3320 8.3525 122.9657 61.6001 31.9583 174.4749 69 L 4.9073 8.5780 127.2397 52.6699 45.6642 175.7489 70 E 4.9021 8.5070 119.1560 56.0417 31.7160 175.1459 71 A 4.8740 8.8792 122.6560 51.1233 23.6718 175.1045 72 V 4.5246 8.1911 118.8214 60.8271 34.5146 174.8943 73 V 3.8667 8.7187 128.5277 63.1734 31.5257 176.0649 74 V 3.9284 8.8767 128.2733 64.1254 33.3080 175.6897 75 R 4.0864 7.4205 117.4495 54.1518 34.6662 174.3713 76 Q 4.9011 7.9169 117.6677 55.2133 31.4443 175.8154 77 R 4.1664 9.0859 121.5184 59.1729 30.4274 177.7581 78 K 4.1793 7.8922 118.7448 55.5963 32.6853 175.3125 79 P 4.8738 0.0000 0.0000 62.9547 32.8114 175.0687 80 I 4.9063 8.6482 114.8718 59.1573 41.5979 173.8670 81 R 5.0644 9.1515 123.5038 54.7938 32.2444 175.2336 82 R 4.6550 8.7503 125.2844 54.3781 31.7484 175.8286 83 P 4.1335 0.0000 0.0000 66.0765 31.4477 176.9795 84 D 4.5797 8.0920 114.5071 53.2084 39.2296 177.4703 85 G 3.9652 8.6636 108.0028 46.2489 0.0000 174.5805 86 T 4.1635 7.7217 116.8609 63.6073 69.5906 174.0598 87 R 5.0281 8.4304 123.6476 55.2256 32.3212 176.0118 88 V 4.5147 8.6063 121.3168 61.0835 34.8307 174.3568 89 K 5.0293 8.3604 125.3893 55.4820 35.8838 175.4392 90 F 4.6827 8.6422 120.3843 55.9488 41.0372 175.5333 91 E 4.1826 9.0459 119.3893 58.2042 29.7418 174.6976 92 D 4.6498 7.6479 115.5242 53.3738 42.4980 173.6364 93 N 5.1152 8.6789 115.1652 51.6854 40.8689 174.1673 94 A 5.2987 8.8369 124.5401 50.3160 23.3173 174.4908 95 A 4.9678 9.2341 120.8622 50.2574 23.5209 175.1814 96 V 4.5743 8.0966 119.8686 60.7370 34.1533 175.3941 97 I 4.2953 8.2207 128.7435 61.7110 38.1619 175.2617 98 V 4.8829 8.4776 124.7864 61.4598 35.1683 175.0677 99 D 4.7491 8.5199 125.5229 51.9262 41.7306 176.2434 100 E 3.8920 8.7981 118.6642 59.6706 29.4931 177.5595 101 N 4.7490 8.2352 113.3931 52.8311 38.5550 174.5670 102 E 3.7809 7.9673 115.6456 57.4464 27.7849 173.7485 103 D 5.1569 8.3991 118.2173 50.7947 42.4792 174.5656 104 P 4.6633 0.0000 0.0000 63.0996 31.5494 176.4445 105 R 3.8872 8.5648 123.4917 58.8832 30.1689 176.9571 106 G 3.9755 7.6759 105.6006 44.8812 0.0000 173.3452 107 T 4.2123 8.6933 115.4551 65.0962 69.2421 175.6727 108 E 4.8203 8.1554 119.3547 54.3690 33.1903 174.9334 109 L 5.0478 8.4739 122.5562 53.1811 43.6713 175.8978 110 K 4.3753 8.1725 122.6069 55.9067 33.6620 177.7471 111 G 3.9428 8.8832 111.8933 43.9576 0.0000 170.6603 112 P 4.8218 0.0000 0.0000 62.5457 32.7185 175.3542 113 I 4.6454 8.0565 117.5285 59.8875 41.8916 174.4012 114 A 4.9332 8.2258 127.7783 51.6529 18.9182 179.0307 115 R 3.9476 8.9409 119.9892 59.6616 28.7713 179.3005 116 E 4.0008 8.2164 118.6960 59.0850 29.4755 179.3010 117 V 3.6764 7.8876 118.2627 65.8019 31.4195 177.6198 118 A 4.0144 8.0812 118.9278 55.4681 18.2035 178.7263 119 Q 4.0327 7.5596 116.1566 59.4929 29.1637 178.4846 120 R 3.9632 7.3867 117.0277 57.7396 31.1425 176.3383 121 F 4.7825 8.3222 120.2709 54.8288 39.4381 175.9387 122 G 3.6801 8.5615 112.6466 47.7274 0.0000 172.8057 123 S 4.6583 8.0691 117.6287 60.3806 62.7660 176.6623 124 V 3.5872 7.7908 120.8012 65.6499 31.6516 177.3151 125 A 4.2147 8.0389 120.8294 54.8865 18.6440 179.7089 126 S 4.6908 8.6622 113.6228 57.7884 62.8721 175.3397 127 A 4.5410 7.5801 120.5898 53.6109 23.8855 176.8801 128 A 4.2708 8.1232 120.7504 51.9293 19.0977 177.9556 129 T 4.1472 8.6281 120.3582 65.9480 68.9522 175.0787 130 M 4.8828 7.8368 119.5803 53.4940 36.0104 175.2275 131 I 4.7812 8.3523 122.4793 59.8221 40.5812 175.4000 132 V 4.0005 8.7356 126.9587 62.8195 31.5257 175.5625 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.40 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 2 E 8.44 3.73 0.00 1.93 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 3 A 9.41 4.03 1.25 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 4 L 8.52 4.03 0.00 1.66 1.75 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.84 3.84 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 0.00 0.00 0.00 6 A 7.42 4.65 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 7 D 8.97 4.69 0.00 2.65 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 8 V 8.44 4.55 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 0.86 0.00 0.00 1.01 0.00 0.00 9 T 7.84 4.40 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 10 Q 8.72 3.86 0.00 1.88 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 11 G 9.07 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 12 L 8.32 5.05 0.00 1.64 1.51 0.88 0.68 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 13 E 8.69 5.11 0.00 1.87 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 14 K 8.41 3.97 0.00 1.80 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.61 7.81 15 G 9.18 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 16 S 8.25 4.32 0.00 3.84 3.77 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 17 L 8.41 5.12 0.00 1.50 1.71 0.96 0.75 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 18 I 9.14 4.72 1.99 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 1.33 0.92 0.88 0.00 0.00 19 T 8.50 4.37 4.34 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 1.19 0.00 0.00 20 C 8.59 4.82 0.00 2.96 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 21 A 8.58 4.47 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 22 D 7.47 5.12 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.61 5.04 0.00 2.81 2.89 0.00 0.00 5.96 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 24 T 7.87 3.96 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 1.25 0.00 0.00 25 G 8.39 3.95 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 0.00 0.00 0.00 26 A 7.31 4.78 1.24 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 0.00 0.00 0.00 27 R 9.16 4.40 0.00 1.83 1.95 0.00 3.06 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 28 E 8.05 5.17 0.00 1.99 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 2.24 2.45 0.00 29 L 9.18 5.13 0.00 1.52 1.48 0.88 0.61 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 30 K 8.73 4.83 0.00 1.78 1.76 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.33 7.81 31 V 8.77 3.89 2.20 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 0.84 0.00 0.00 0.94 0.00 0.00 32 I 8.63 4.24 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.94 0.91 0.00 0.00 33 S 7.75 4.67 0.00 3.75 3.73 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 34 V 8.20 4.52 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.82 0.00 0.00 35 H 8.91 4.19 0.00 3.20 3.36 0.00 6.11 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 36 G 8.63 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 0.00 0.00 0.00 37 Y 7.79 4.53 0.00 2.94 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.30 4.32 0.00 3.67 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.06 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 40 T 8.16 4.57 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 1.23 0.00 0.00 41 K 8.45 3.99 0.00 1.75 1.74 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 42 N 9.04 4.68 0.00 2.96 3.05 0.00 0.00 7.06 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 43 R 7.62 4.05 0.00 1.83 2.06 0.00 3.39 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 44 H 8.67 4.59 0.00 3.32 3.21 0.00 5.77 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.52 0.00 2.11 2.42 0.00 3.72 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 46 K 7.95 4.95 0.00 1.71 1.75 0.00 1.50 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.13 1.13 7.81 47 A 8.78 4.67 1.13 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 48 G 9.18 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 0.00 0.00 0.00 0.00 49 L 8.74 4.14 0.00 1.59 1.62 0.91 1.43 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 50 G 9.22 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.84 4.97 0.00 2.76 2.60 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 0.00 52 K 8.62 4.83 0.00 1.94 1.73 0.00 1.56 0.00 0.00 1.86 0.00 0.00 2.70 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.37 1.42 7.81 53 I 9.01 5.05 1.96 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 1.30 1.13 0.88 0.00 0.00 54 T 8.69 4.67 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 1.21 0.00 0.00 55 V 8.84 5.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.89 0.00 0.00 56 S 8.78 5.24 0.00 3.89 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 57 V 8.28 4.20 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 0.93 0.00 0.00 0.93 0.00 0.00 58 T 8.62 3.95 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 1.31 0.00 0.00 59 K 9.10 4.58 0.00 1.72 1.64 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.51 7.81 60 G 8.15 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 61 T 7.67 4.10 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 62 P 0.00 4.22 0.00 2.03 2.19 0.00 3.67 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 2.03 2.21 0.00 63 E 8.02 4.12 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 64 M 7.69 4.17 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.67 0.00 65 R 7.56 4.14 0.00 1.93 1.84 0.00 3.34 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 66 R 8.58 4.08 0.00 2.03 2.10 0.00 3.21 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 Q 7.68 4.15 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 68 V 8.35 4.33 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 0.80 0.00 0.00 0.92 0.00 0.00 69 L 8.58 4.91 0.00 1.59 1.48 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.51 4.90 0.00 1.87 1.78 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 2.33 2.28 0.00 71 A 8.88 4.87 1.12 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 72 V 8.19 4.52 1.66 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 0.66 0.00 0.00 -0.33 0.00 0.00 73 V 8.72 3.87 2.19 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 0.89 0.00 0.00 0.91 0.00 0.00 74 V 8.88 3.93 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 0.77 0.00 0.00 0.91 0.00 0.00 75 R 7.42 4.09 0.00 1.46 1.01 0.00 3.22 0.00 0.00 3.55 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.30 0.00 76 Q 7.92 4.90 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 77 R 9.09 4.17 0.00 1.87 2.07 0.00 3.19 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 78 K 7.89 4.18 0.00 1.77 1.74 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.56 7.81 79 P 0.00 4.87 0.00 2.12 1.96 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 80 I 8.65 4.91 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.01 0.99 0.00 0.00 81 R 9.15 5.06 0.00 1.84 1.81 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 82 R 8.75 4.66 0.00 1.91 1.82 0.00 3.22 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 83 P 0.00 4.13 0.00 2.03 2.16 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 84 D 8.09 4.58 0.00 2.78 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 85 G 8.66 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.72 4.16 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 1.19 0.00 0.00 87 R 8.43 5.03 0.00 1.67 1.84 0.00 3.32 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 88 V 8.61 4.51 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 0.74 0.00 0.00 0.89 0.00 0.00 89 K 8.36 5.03 0.00 1.97 1.70 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.40 7.81 90 F 8.64 4.68 0.00 3.21 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 91 E 9.05 4.18 0.00 1.97 2.04 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 2.30 2.26 0.00 92 D 7.65 4.65 0.00 2.68 2.64 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 93 N 8.68 5.12 0.00 2.62 2.72 0.00 0.00 6.46 7.23 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 94 A 8.84 5.30 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.23 4.97 1.13 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 96 V 8.10 4.57 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 0.96 0.00 0.00 0.91 0.00 0.00 97 I 8.22 4.30 1.83 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 1.07 0.34 0.90 0.00 0.00 98 V 8.48 4.88 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 0.68 0.00 0.00 0.75 0.00 0.00 99 D 8.52 4.75 0.00 2.93 2.80 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 0.00 0.00 0.00 100 E 8.80 3.89 0.00 1.94 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 0.00 2.30 2.35 0.00 101 N 8.24 4.75 0.00 2.99 2.82 0.00 0.00 6.92 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 0.00 102 E 7.97 3.78 0.00 2.23 2.20 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 2.28 2.31 0.00 103 D 8.40 5.16 0.00 2.99 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.66 0.00 2.15 2.05 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 105 R 8.56 3.89 0.00 1.78 1.97 0.00 3.23 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.68 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 0.00 107 T 8.69 4.21 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 1.21 0.00 0.00 108 E 8.16 4.82 0.00 1.87 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 109 L 8.47 5.05 0.00 1.51 1.56 0.94 0.91 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 0.00 110 K 8.17 4.38 0.00 1.64 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.37 7.81 111 G 8.88 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 0.00 112 P 0.00 4.82 0.00 2.29 2.20 0.00 3.45 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.97 0.00 113 I 8.06 4.65 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.49 0.93 0.00 0.00 114 A 8.23 4.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.94 3.95 0.00 2.09 2.26 0.00 2.80 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 116 E 8.22 4.00 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 117 V 7.89 3.68 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.04 0.00 0.00 118 A 8.08 4.01 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 0.00 119 Q 7.56 4.03 0.00 2.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 120 R 7.39 3.96 0.00 1.63 1.68 0.00 3.06 0.00 0.00 2.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 121 F 8.32 4.78 0.00 3.13 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 0.00 122 G 8.56 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.07 4.66 0.00 4.08 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 0.00 124 V 7.79 3.59 2.36 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 0.85 0.00 0.00 0.90 0.00 0.00 125 A 8.04 4.21 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 0.00 126 S 8.66 4.69 0.00 4.03 4.10 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 0.00 0.00 0.00 127 A 7.58 4.54 1.34 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 0.00 128 A 8.12 4.27 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 0.00 129 T 8.63 4.15 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 1.22 0.00 0.00 130 M 7.84 4.88 0.00 1.95 1.94 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 2.59 2.55 0.00 131 I 8.35 4.78 1.90 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 1.27 0.62 0.95 0.00 0.00 132 V 8.74 4.00 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 0.86 0.00 0.00 0.99 0.00 0.00