NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4550 8.3044 120.3284 55.1129 33.3575 176.4804 2 E 3.8702 8.8003 125.5880 57.0788 27.4323 173.4571 3 T 3.4136 8.4759 108.0483 62.8112 67.4122 170.6915 4 I 4.7583 7.4977 133.2249 60.1589 38.4539 176.5537 5 A 4.3429 9.1271 133.2767 52.8098 21.2542 177.4419 6 K 3.5644 8.0594 112.9249 59.7283 34.1424 171.2435 7 H 4.3781 7.6064 115.7995 58.9908 32.7986 173.6620 8 R 4.1530 8.4782 113.2143 57.6346 32.4109 171.9230 9 H 3.9797 7.6571 124.8257 52.1560 28.4342 176.8969 10 A 4.1863 8.6218 129.2726 53.4988 17.8838 176.8592 11 R 3.6988 9.1772 112.0651 56.0371 26.8152 176.2169 12 S 4.4175 7.8877 106.8814 58.1527 65.7018 170.7394 13 S 3.7502 8.2542 120.2749 57.5929 63.1407 171.4960 14 A 3.9810 8.1028 123.9685 54.7977 17.8048 179.7549 15 Q 3.9205 7.8317 117.6608 59.0673 29.3714 179.8493 16 K 4.0881 7.8671 119.2269 59.8538 32.2482 179.8657 17 V 3.6660 7.7892 112.2786 64.2528 31.6496 178.6667 18 R 3.9764 9.2102 119.3348 58.8825 29.5319 178.4403 19 L 4.0164 7.3590 119.1838 58.4253 42.4259 179.1662 20 V 3.7505 7.7816 111.4554 63.8589 31.3983 178.2630 21 A 3.9693 7.9033 120.8571 55.4456 18.0285 179.1613 22 D 4.3233 7.4535 114.8029 57.6504 40.9437 178.2334 23 L 4.1078 7.4927 118.4814 56.7128 41.9232 177.5271 24 I 4.4640 7.6547 111.2437 58.3154 39.5862 174.9309 25 R 4.2297 8.7836 122.3265 57.0716 34.6155 175.6306 26 G 3.8783 9.2318 112.0966 46.3598 0.0000 174.9445 27 K 3.8017 8.8934 119.9002 55.6453 33.7225 181.1604 28 K 3.2802 8.6388 121.6902 56.6242 32.6596 174.3462 29 V 3.4946 8.3068 112.1072 63.9190 31.1604 173.9017 30 S 4.3195 8.5767 118.7540 60.6189 63.6342 174.7543 31 Q 4.5300 7.6488 119.6751 55.4464 28.8007 177.4684 32 A 4.0496 7.6823 123.7214 54.7406 19.2038 178.2069 33 L 4.3568 7.0962 115.0341 55.0682 44.8216 174.3815 34 D 4.2382 8.0893 120.2642 56.5466 39.2365 175.2679 35 I 4.2452 7.5563 116.1938 61.8133 38.5508 176.1632 36 L 4.5533 7.2002 116.2226 57.2304 43.8223 177.8636 37 T 3.8905 7.6595 110.3902 63.8371 67.6299 173.5592 38 Y 5.0774 6.9675 117.7968 57.1724 38.2879 177.6130 39 T 4.2622 7.5121 110.5688 60.9866 69.4017 172.4856 40 N 4.6462 8.5179 127.0350 52.9557 38.6815 174.3547 41 K 4.6128 8.1718 124.0457 53.6188 36.2124 176.9680 42 K 3.7701 9.0577 123.5799 59.9938 31.9084 178.7013 43 A 3.9687 8.0997 119.9342 55.0395 18.1870 179.1890 44 A 3.8689 8.0134 119.1865 55.5625 18.4256 180.1034 45 V 3.5710 7.7898 115.9172 65.9595 30.9465 178.0675 46 L 3.9929 7.5059 118.3986 57.6985 41.4594 179.6988 47 V 3.6362 7.7980 112.4580 63.8946 31.4352 178.6085 48 K 3.8570 8.0330 119.5268 59.6351 32.1252 178.4297 49 K 3.7726 7.6935 118.8579 60.2059 31.9956 179.5207 50 V 3.6736 7.6581 117.9217 64.4391 31.2414 178.1638 51 L 3.8914 8.0507 121.5722 58.1047 41.8714 178.8733 52 E 3.9136 8.6231 118.7836 59.6120 29.2309 179.3132 53 S 4.0884 7.9044 113.6052 61.6747 63.0806 176.5871 54 A 4.3709 8.3303 124.9719 54.7642 18.0757 179.5509 55 I 3.6223 7.8776 115.6198 63.6116 38.1905 177.5637 56 A 4.2193 8.2354 122.2362 54.9872 18.1177 178.9821 57 N 4.7598 8.1935 111.4430 54.1813 38.0099 176.5623 58 A 4.4135 8.0853 123.8272 53.1318 19.2638 178.5071 59 E 4.4764 8.1393 114.5622 56.8087 31.4367 176.2807 60 H 4.5599 8.1510 113.8129 57.4811 29.5979 175.2827 61 N 4.2701 7.1749 115.5965 55.0648 39.2220 175.8134 62 D 5.1847 7.5518 119.1024 52.1479 45.3876 177.0005 63 G 3.8972 8.3656 115.7126 44.1315 0.0000 175.1352 64 A 3.5648 8.7611 122.0695 51.8116 15.0866 176.2301 65 D 4.4470 8.2312 119.7642 53.2720 39.8853 177.3315 66 I 3.9202 8.2162 120.2172 62.1024 36.7695 175.1071 67 D 4.9598 8.1736 134.9866 54.1088 41.2822 177.0199 68 D 4.0793 8.7432 117.9756 54.1804 39.1616 178.8764 69 L 4.1414 5.6200 117.3292 54.3490 42.2909 173.0509 70 K 4.5781 8.2875 114.3906 57.3136 37.6486 176.2762 71 V 4.0937 7.8314 115.3193 64.8475 28.6763 172.3426 72 T 4.1398 7.9317 111.9898 63.4798 67.8944 173.3243 73 K 4.8385 7.9514 120.4707 55.7751 36.7162 175.5910 74 I 4.7791 8.4457 124.7114 60.4507 41.0414 174.0076 75 F 4.8742 7.9055 119.9558 56.0403 40.7903 173.8278 76 V 4.4877 8.6276 114.8069 59.8871 33.9646 174.7546 77 D 5.1696 8.4377 122.6445 52.1156 44.8826 175.1371 78 E 4.3164 8.9252 120.7580 56.8033 29.7274 176.7898 79 G 4.1984 8.2656 111.8703 42.9000 0.0000 171.2009 80 P 4.1641 0.0000 0.0000 61.8554 31.9809 175.3863 81 S 4.7885 8.3461 116.7872 56.6726 64.2892 173.5061 82 M 4.3786 8.6298 126.4187 55.1657 33.2433 174.9306 83 K 5.1084 8.4731 122.7954 54.9822 34.7268 175.1402 84 R 4.7265 8.2995 124.7033 55.0717 33.3378 174.6114 85 I 4.1932 8.3149 125.5262 61.1957 38.7141 175.4145 86 M 4.5949 8.3018 123.0485 53.0029 34.3480 173.1228 87 P 4.3981 0.0000 0.0000 63.0607 32.5588 175.8700 88 R 4.4122 8.1188 124.9775 55.3047 31.9852 177.5658 89 A 4.2371 8.3879 118.6621 52.9865 15.8580 177.7496 90 K 4.0255 8.1840 117.8677 55.7575 30.3467 177.2949 91 G 4.4338 8.0084 106.1712 46.0547 0.0000 175.1744 92 R 3.8606 8.1624 120.7903 58.0603 30.3581 176.1506 93 A 4.4264 7.5996 122.9293 50.8750 18.6473 176.0818 94 D 4.3527 7.9323 120.2560 54.0447 39.7705 175.0867 95 R 4.0218 8.1786 121.9284 57.0348 32.3511 175.1664 96 I 2.9797 7.5766 122.4021 62.0112 34.3386 172.9666 97 L 4.9951 8.0705 124.2922 52.4826 42.9883 176.8092 98 K 3.8908 8.6975 124.8086 58.0884 32.2518 175.6622 99 R 3.9325 8.1442 121.9220 55.7337 30.2287 175.2642 100 T 4.7604 7.7398 108.8820 61.5884 72.8478 171.0003 101 S 5.4355 9.2400 114.6602 58.4479 66.5704 172.3702 102 H 4.9836 8.2808 119.3614 55.5127 32.1107 174.2353 103 I 4.1306 9.4682 135.0000 62.7497 38.9523 172.7339 104 T 3.5625 7.6050 105.8803 62.4809 66.5771 171.5183 105 V 4.0468 6.9757 126.4396 63.3675 33.6929 175.1679 106 V 4.5987 8.5648 124.8598 61.5054 35.5449 174.5600 107 V 4.9683 8.0791 117.0369 60.2383 35.5050 174.5297 108 S 4.4243 8.3784 120.9707 57.9887 66.7058 172.9328 109 D 4.9982 8.7782 120.0328 52.8654 41.0115 176.6828 110 R 4.2152 8.2876 117.1137 56.3652 30.3820 176.4973 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 4.45 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 2 E 8.80 3.87 0.00 2.02 1.90 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 2.30 2.31 0.00 3 T 8.48 3.41 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 1.25 0.00 0.00 4 I 7.50 4.76 1.87 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 1.31 1.49 0.99 0.00 0.00 5 A 9.13 4.34 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 6 K 8.06 3.56 0.00 1.92 1.86 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.41 7.81 7 H 7.61 4.38 0.00 3.01 3.14 0.00 5.98 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.48 4.15 0.00 1.71 1.76 0.00 3.54 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 9 H 7.66 3.98 0.00 3.34 3.36 0.00 5.74 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 10 A 8.62 4.19 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 9.18 3.70 0.00 1.99 2.06 0.00 3.44 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 12 S 7.89 4.42 0.00 3.81 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 13 S 8.25 3.75 0.00 4.21 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 0.00 14 A 8.10 3.98 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 15 Q 7.83 3.92 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 16 K 7.87 4.09 0.00 2.12 1.83 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.53 7.81 17 V 7.79 3.67 2.06 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 0.89 0.00 0.00 1.05 0.00 0.00 18 R 9.21 3.98 0.00 1.79 2.14 0.00 3.18 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 19 L 7.36 4.02 0.00 1.98 1.68 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.78 3.75 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 1.02 0.00 0.00 0.98 0.00 0.00 21 A 7.90 3.97 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 22 D 7.45 4.32 0.00 2.89 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 23 L 7.49 4.11 0.00 1.87 1.76 0.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.65 4.46 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 0.90 0.00 0.00 25 R 8.78 4.23 0.00 1.81 1.89 0.00 3.42 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 26 G 9.23 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 27 K 8.89 3.80 0.00 1.74 1.78 0.00 1.79 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 28 K 8.64 3.28 0.00 1.90 1.66 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.35 7.81 29 V 8.31 3.49 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 0.93 0.00 0.00 0.95 0.00 0.00 30 S 8.58 4.32 0.00 3.90 3.91 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 31 Q 7.65 4.53 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 32 A 7.68 4.05 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 33 L 7.10 4.36 0.00 1.44 1.29 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.09 4.24 0.00 3.12 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.56 4.25 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 1.03 0.00 0.00 36 L 7.20 4.55 0.00 1.64 1.58 0.92 0.78 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 37 T 7.66 3.89 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 -0.01 0.00 0.00 38 Y 6.97 5.08 0.00 3.25 2.81 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 39 T 7.51 4.26 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 1.30 0.00 0.00 40 N 8.52 4.65 0.00 2.73 2.82 0.00 0.00 7.03 6.68 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 41 K 8.17 4.61 0.00 1.81 1.62 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 42 K 9.06 3.77 0.00 1.81 1.82 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 43 A 8.10 3.97 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 44 A 8.01 3.87 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.79 3.57 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 1.04 0.00 0.00 0.92 0.00 0.00 46 L 7.51 3.99 0.00 1.82 1.59 0.89 0.83 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 47 V 7.80 3.64 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 0.83 0.00 0.00 0.97 0.00 0.00 48 K 8.03 3.86 0.00 1.79 1.76 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.43 7.81 49 K 7.69 3.77 0.00 1.90 1.84 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.61 7.81 50 V 7.66 3.67 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 51 L 8.05 3.89 0.00 1.89 1.80 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.62 3.91 0.00 2.09 1.96 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 2.30 2.60 0.00 53 S 7.90 4.09 0.00 3.99 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 54 A 8.33 4.37 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 55 I 7.88 3.62 1.86 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 1.45 0.72 0.99 0.00 0.00 56 A 8.24 4.22 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.76 0.00 2.95 2.85 0.00 0.00 6.80 7.40 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 58 A 8.09 4.41 1.39 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 0.00 0.00 59 E 8.14 4.48 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 2.23 2.25 0.00 60 H 8.15 4.56 0.00 3.07 3.35 0.00 5.90 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.17 4.27 0.00 2.73 3.07 0.00 0.00 7.15 8.35 0.00 0.00 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 D 7.55 5.18 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 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 0.00 0.00 0.00 64 A 8.76 3.56 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 65 D 8.23 4.45 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 66 I 8.22 3.92 1.87 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 1.47 0.51 0.91 0.00 0.00 67 D 8.17 4.96 0.00 2.76 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 68 D 8.74 4.08 0.00 2.66 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 0.00 0.00 0.00 0.00 69 L 5.62 4.14 0.00 1.81 1.66 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.29 4.58 0.00 1.73 1.78 0.00 1.97 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.45 7.81 71 V 7.83 4.09 2.09 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 1.05 0.00 0.00 0.96 0.00 0.00 72 T 7.93 4.14 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 1.24 0.00 0.00 73 K 7.95 4.84 0.00 1.76 1.87 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.48 7.81 74 I 8.45 4.78 1.91 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 1.37 0.28 0.90 0.00 0.00 75 F 7.91 4.87 0.00 3.01 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 76 V 8.63 4.49 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.97 0.00 0.00 77 D 8.44 5.17 0.00 2.54 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.93 4.32 0.00 1.88 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 2.33 2.34 0.00 79 G 8.27 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 0.00 0.00 0.00 0.00 80 P 0.00 4.16 0.00 1.93 1.99 0.00 3.49 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 2.00 2.11 0.00 81 S 8.35 4.79 0.00 3.84 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 82 M 8.63 4.38 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 83 K 8.47 5.11 0.00 1.74 1.66 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.54 7.81 84 R 8.30 4.73 0.00 1.81 1.72 0.00 3.36 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 85 I 8.31 4.19 1.87 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 1.23 0.66 0.91 0.00 0.00 86 M 8.30 4.59 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 87 P 0.00 4.40 0.00 2.08 2.00 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 2.11 0.00 88 R 8.12 4.41 0.00 1.73 1.68 0.00 3.21 0.00 0.00 3.23 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 89 A 8.39 4.24 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 90 K 8.18 4.03 0.00 1.93 2.06 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.48 7.81 91 G 8.01 4.43 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 0.00 0.00 0.00 92 R 8.16 3.86 0.00 1.76 1.96 0.00 3.27 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 93 A 7.60 4.43 1.26 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 0.00 0.00 94 D 7.93 4.35 0.00 2.88 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 95 R 8.18 4.02 0.00 1.74 1.89 0.00 3.38 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 96 I 7.58 2.98 2.12 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 1.41 0.66 0.91 0.00 0.00 97 L 8.07 5.00 0.00 1.59 1.59 0.92 0.96 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 98 K 8.70 3.89 0.00 1.75 1.89 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.66 1.58 7.81 99 R 8.14 3.93 0.00 1.97 1.94 0.00 3.13 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 100 T 7.74 4.76 4.37 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 1.19 0.00 0.00 101 S 9.24 5.44 0.00 3.77 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 0.00 102 H 8.28 4.98 0.00 2.96 2.30 0.00 5.95 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 9.47 4.13 1.77 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 1.39 0.89 0.83 0.00 0.00 104 T 7.61 3.56 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 1.05 0.00 0.00 105 V 6.98 4.05 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 0.90 0.00 0.00 0.86 0.00 0.00 106 V 8.56 4.60 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 0.99 0.00 0.00 107 V 8.08 4.97 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 0.71 0.00 0.00 0.93 0.00 0.00 108 S 8.38 4.42 0.00 3.85 4.19 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 0.00 109 D 8.78 5.00 0.00 2.79 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 0.00 110 R 8.29 4.22 0.00 1.79 1.86 0.00 3.53 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 1.55 1.66 0.00