NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4473 8.2893 120.3261 55.4354 34.2113 176.1157 2 T 3.6556 7.8606 109.1321 61.0612 68.8514 172.0609 3 K 4.1937 8.8113 126.0852 55.6066 33.1660 176.9551 4 N 4.6357 8.8079 121.4022 54.5931 37.2513 174.4876 5 T 4.1072 7.2880 113.6952 62.8355 67.2358 173.6625 6 R 4.3900 7.6731 122.1495 54.7617 32.2659 174.7471 7 F 4.5005 8.4478 116.5752 57.0725 39.9576 175.9395 8 S 4.4660 8.4735 117.7076 57.2049 65.0031 173.3260 9 P 4.0824 0.0000 0.0000 66.0584 31.0349 178.1737 10 E 3.8215 8.1074 119.1095 58.9478 29.4525 178.8575 11 V 3.4897 7.6278 117.5345 65.7586 31.5811 177.7556 12 R 3.0263 7.5532 118.2212 59.2993 29.8609 178.5633 13 Q 3.8516 8.1594 118.2088 58.9464 28.6040 178.8228 14 R 3.8372 8.2121 119.7326 59.0555 30.0785 178.3732 15 A 3.9721 8.1031 121.0231 55.3538 18.4998 179.7845 16 V 3.5935 7.8769 116.6624 65.9493 31.4797 178.2302 17 R 3.7928 8.0807 118.5610 59.7241 29.9509 178.2443 18 M 4.3678 8.2560 119.5017 57.8753 32.1362 178.3181 19 V 3.6015 7.8885 118.5743 66.0034 31.7059 178.0538 20 L 4.0047 7.8761 118.6238 57.8284 40.5024 179.1160 21 E 3.9670 8.6089 118.9515 59.6928 29.4415 179.3322 22 S 4.7519 8.1832 115.0423 59.6118 62.9445 176.4258 23 Q 4.8635 7.4861 121.9643 57.9704 28.4772 178.1821 24 G 3.7196 7.7213 106.1657 47.5014 0.0000 175.4234 25 E 4.0356 7.5277 117.5130 57.5819 29.9346 175.9977 26 Y 4.6345 8.0938 117.6972 56.2673 39.4034 176.3734 27 D 4.5014 8.7575 123.8839 54.4768 40.5563 177.1179 28 S 4.3698 7.9071 117.3670 57.4399 63.3120 173.9957 29 Q 3.8767 8.3151 128.8129 59.0278 28.6868 178.2832 30 W 4.2900 7.7005 119.0788 59.7419 28.9436 178.0947 31 A 3.9351 8.0801 119.1707 55.4335 17.9525 179.4106 32 T 3.9524 7.8903 114.0986 66.9214 68.7277 177.0024 33 I 3.7410 7.9735 121.6005 64.6615 37.0093 178.2523 34 C 4.1909 8.2497 118.2142 62.0488 31.3819 175.0542 35 S 4.4080 7.5767 115.7342 60.4032 63.0643 175.9485 36 I 4.0245 7.6628 121.8571 63.4353 37.1175 177.5358 37 A 4.0175 7.8299 121.6052 55.0655 18.0399 177.8810 38 P 4.3167 0.0000 0.0000 64.3668 31.4765 178.1001 39 K 4.1736 7.7945 118.5562 58.9652 32.4090 178.1179 40 I 4.0923 7.6637 118.5359 61.8091 38.0796 176.2834 41 G 4.2092 9.2838 108.5499 45.6347 0.0000 171.8354 42 C 4.7737 7.4889 111.3699 55.7682 33.3868 173.7073 43 T 4.3881 7.8689 109.8879 60.1277 71.1107 173.9229 44 P 4.1525 0.0000 0.0000 65.7025 31.2676 178.9508 45 E 3.8883 7.9612 117.0518 59.7733 29.4837 179.3749 46 T 3.5094 7.2693 114.8354 66.1716 68.3871 176.7193 47 L 3.5851 7.6069 122.5046 57.8706 41.9572 178.9914 48 R 3.8623 8.0710 118.9553 59.3734 30.0250 178.6615 49 V 3.5635 7.3257 117.7159 65.7573 31.4016 178.0014 50 W 4.4872 7.9299 118.7064 59.9019 29.0341 178.6801 51 V 3.6547 7.9668 118.2055 66.0239 31.0286 178.0861 52 R 3.9342 8.3830 118.8464 59.4522 30.0550 178.3126 53 Q 4.0324 8.7588 119.9140 59.3889 28.8890 177.5081 54 H 4.3030 8.4986 118.3601 58.4589 29.9025 176.6381 55 E 4.0857 7.9968 121.2858 59.3577 29.6341 178.2042 56 R 4.2292 7.7546 115.5517 57.2095 30.0249 177.9988 57 D 4.3283 7.6208 118.3854 57.6109 41.3309 177.8251 58 T 4.2205 7.5231 114.6952 64.7868 69.7584 175.8119 59 G 3.8525 7.5544 111.6745 44.2959 0.0000 172.0201 60 G 3.9664 7.8008 110.5177 44.6079 0.0000 170.5504 61 D 4.6478 8.0647 122.5271 52.6616 42.2911 174.1169 62 D 4.2238 8.0820 115.4868 53.3194 43.8080 175.1939 63 G 3.7261 8.9727 116.5424 46.3298 0.0000 173.1238 64 G 4.3499 7.8159 112.3065 44.8509 0.0000 170.4137 65 L 4.6309 7.8238 122.1423 53.3121 43.9014 176.9392 66 T 4.0354 8.3802 120.3107 63.6761 68.9953 174.1693 67 T 4.2427 8.3377 116.3134 60.5199 70.2259 174.8699 68 A 4.3920 8.1977 127.5300 51.0289 17.6505 177.1349 69 E 4.1565 8.1978 120.3789 58.6645 30.3161 178.3399 70 R 4.3869 7.6263 118.1595 56.7366 32.5780 175.8888 71 Q 4.0749 7.9634 116.8010 54.8972 28.5888 175.6397 72 R 4.0293 8.4382 124.6758 55.6907 29.6369 176.0605 73 L 4.3787 8.2358 126.0379 53.6755 42.9870 176.2307 74 K 4.4057 8.2861 118.7361 55.1979 33.6380 175.6552 75 E 4.2655 8.6695 124.6963 54.3384 29.6010 174.7577 76 P 4.5740 0.0000 0.0000 61.8206 32.9728 174.8749 77 E 4.4249 8.0980 118.6425 55.3280 31.5701 175.0242 78 R 3.9558 8.5952 117.5518 59.0111 30.2682 177.2716 79 E 4.1100 8.0528 115.9476 56.0765 29.0629 176.4564 80 N 4.6162 8.3314 123.7060 51.5911 36.1803 175.0202 81 R 4.3306 7.7052 125.6918 55.5022 31.8815 176.0133 82 E 4.2371 8.3298 119.9336 56.2954 30.2496 176.0370 83 L 4.6554 8.1066 121.4793 55.3434 44.3960 177.7266 84 R 3.8796 8.4605 117.7754 56.9282 30.3472 173.6353 85 R 4.1281 8.7505 123.7052 55.4627 31.7608 175.7711 86 S 4.1440 8.6772 120.2957 59.3841 63.5575 174.8179 87 N 4.6932 8.3642 123.9207 52.8364 40.2301 174.1583 88 D 4.6782 8.3492 118.8114 54.2426 42.3554 177.4616 89 I 3.6474 8.3245 124.1441 62.5582 37.6465 177.5504 90 L 3.4178 9.1685 122.1745 55.8476 42.2694 174.9545 91 R 3.7704 8.5956 116.7972 56.8234 27.4949 175.6692 92 L 4.0833 7.3172 119.8678 54.2631 42.3907 177.6007 93 A 4.1507 8.3710 129.4079 52.0094 16.2016 175.2193 94 S 4.2829 7.9427 113.4136 56.0875 62.9421 172.6354 95 A 4.2810 7.5577 127.6561 50.3207 22.9345 176.0949 96 Y 4.2509 7.9106 117.5631 57.0440 36.6562 173.3041 97 F 3.7332 7.4577 124.8196 56.7894 38.8931 176.0844 98 A 4.1528 8.7598 128.9477 54.2076 18.6568 177.3021 99 K 4.3287 7.9081 115.9185 55.0760 33.3653 175.9194 100 A 4.2653 8.3257 128.2976 52.0396 19.1747 177.5404 101 E 3.8898 8.9616 123.2177 59.1468 29.9001 177.4897 102 F 4.4398 7.9515 115.6890 56.0807 40.3619 175.2490 103 D 4.6154 8.4005 123.4035 54.2128 41.8455 176.0074 104 R 4.6699 7.9429 119.2054 56.4519 33.8379 175.7540 105 L 4.3544 7.5519 118.5442 53.9564 39.8708 176.2673 106 W 4.4758 8.1460 120.7431 57.3562 30.0923 176.7484 107 K 4.6575 7.9655 117.7460 54.4499 33.4303 176.3787 108 K 4.1941 8.5300 120.3768 57.0110 32.7041 176.0105 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 8.29 4.45 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 T 7.86 3.66 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 1.19 0.00 0.00 3 K 8.81 4.19 0.00 1.79 1.79 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.58 1.35 7.81 4 N 8.81 4.64 0.00 2.82 2.86 0.00 0.00 7.28 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 5 T 7.29 4.11 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 1.14 0.00 0.00 6 R 7.67 4.39 0.00 1.92 1.90 0.00 3.07 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 7 F 8.45 4.50 0.00 3.05 2.94 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 8 S 8.47 4.47 0.00 4.04 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 9 P 0.00 4.08 0.00 2.24 2.31 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 10 E 8.11 3.82 0.00 2.02 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 2.35 2.35 0.00 11 V 7.63 3.49 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 1.02 0.00 0.00 0.92 0.00 0.00 12 R 7.55 3.03 0.00 1.39 1.69 0.00 2.72 0.00 0.00 2.71 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 13 Q 8.16 3.85 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.61 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 14 R 8.21 3.84 0.00 1.89 2.03 0.00 3.25 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 15 A 8.10 3.97 1.46 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 0.00 0.00 16 V 7.88 3.59 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 0.95 0.00 0.00 1.03 0.00 0.00 17 R 8.08 3.79 0.00 2.04 2.06 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 18 M 8.26 4.37 0.00 2.25 2.06 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 2.62 2.44 0.00 19 V 7.89 3.60 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 0.99 0.00 0.00 1.06 0.00 0.00 20 L 7.88 4.00 0.00 1.91 1.70 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.61 3.97 0.00 2.18 2.02 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 2.33 2.59 0.00 22 S 8.18 4.75 0.00 4.05 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.49 4.86 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 24 G 7.72 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 E 7.53 4.04 0.00 1.81 1.46 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 2.18 2.25 0.00 26 Y 8.09 4.63 0.00 3.06 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 27 D 8.76 4.50 0.00 2.78 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.91 4.37 0.00 3.94 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 29 Q 8.32 3.88 0.00 1.83 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 30 W 7.70 4.29 0.00 3.52 3.02 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 31 A 8.08 3.94 1.19 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 0.00 0.00 32 T 7.89 3.95 4.41 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 1.33 0.00 0.00 33 I 7.97 3.74 1.93 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 1.42 1.36 0.95 0.00 0.00 34 C 8.25 4.19 0.00 3.03 3.02 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 35 S 7.58 4.41 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 36 I 7.66 4.02 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.15 0.95 0.00 0.00 37 A 7.83 4.02 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 38 P 0.00 4.32 0.00 2.04 2.12 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 39 K 7.79 4.17 0.00 1.78 2.06 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 40 I 7.66 4.09 1.95 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 1.61 0.86 0.98 0.00 0.00 41 G 9.28 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 0.00 0.00 0.00 42 C 7.49 4.77 0.00 2.78 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 43 T 7.87 4.39 4.16 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 1.17 0.00 0.00 44 P 0.00 4.15 0.00 2.15 2.14 0.00 3.54 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 45 E 7.96 3.89 0.00 1.91 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 2.35 2.34 0.00 46 T 7.27 3.51 3.66 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 0.17 0.00 0.00 47 L 7.61 3.59 0.00 1.64 1.70 1.20 1.20 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 48 R 8.07 3.86 0.00 2.01 2.07 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 49 V 7.33 3.56 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 0.92 0.00 0.00 0.95 0.00 0.00 50 W 7.93 4.49 0.00 3.61 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 51 V 7.97 3.65 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 1.02 0.00 0.00 1.09 0.00 0.00 52 R 8.38 3.93 0.00 2.03 2.08 0.00 3.17 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 53 Q 8.76 4.03 0.00 2.37 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 54 H 8.50 4.30 0.00 3.31 3.52 0.00 5.81 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 55 E 8.00 4.09 0.00 2.24 2.16 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 2.30 2.49 0.00 56 R 7.75 4.23 0.00 2.01 1.95 0.00 3.35 0.00 0.00 3.10 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 57 D 7.62 4.33 0.00 2.66 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 58 T 7.52 4.22 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 1.19 0.00 0.00 59 G 7.55 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 60 G 7.80 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 61 D 8.06 4.65 0.00 2.73 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 62 D 8.08 4.22 0.00 2.58 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 63 G 8.97 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 0.00 0.00 0.00 64 G 7.82 4.35 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 0.00 65 L 7.82 4.63 0.00 1.62 1.59 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.38 4.04 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 67 T 8.34 4.24 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 68 A 8.20 4.39 1.29 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 0.00 0.00 0.00 69 E 8.20 4.16 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 70 R 7.63 4.39 0.00 1.72 1.89 0.00 3.23 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 1.48 1.60 0.00 71 Q 7.96 4.07 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 72 R 8.44 4.03 0.00 1.77 1.87 0.00 3.39 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 73 L 8.24 4.38 0.00 1.67 1.60 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.29 4.41 0.00 1.83 1.79 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.42 7.81 75 E 8.67 4.27 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 76 P 0.00 4.57 0.00 2.17 2.07 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 77 E 8.10 4.42 0.00 1.94 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 2.26 2.23 0.00 78 R 8.60 3.96 0.00 1.76 1.93 0.00 3.31 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 79 E 8.05 4.11 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 80 N 8.33 4.62 0.00 2.85 2.89 0.00 0.00 6.29 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 81 R 7.71 4.33 0.00 1.82 1.90 0.00 3.20 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 82 E 8.33 4.24 0.00 1.92 1.84 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 2.28 2.23 0.00 83 L 8.11 4.66 0.00 1.56 1.58 0.92 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 84 R 8.46 3.88 0.00 1.81 2.16 0.00 3.35 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 85 R 8.75 4.13 0.00 1.94 1.97 0.00 3.33 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 1.51 1.58 0.00 86 S 8.68 4.14 0.00 3.89 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 87 N 8.36 4.69 0.00 2.69 2.79 0.00 0.00 7.04 8.06 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 88 D 8.35 4.68 0.00 2.60 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.32 3.65 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 1.29 0.91 0.90 0.00 0.00 90 L 9.17 3.42 0.00 1.97 1.62 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.60 3.77 0.00 1.99 2.01 0.00 3.24 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 92 L 7.32 4.08 0.00 1.69 1.53 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.37 4.15 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 94 S 7.94 4.28 0.00 3.68 3.63 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 95 A 7.56 4.28 1.07 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 0.00 0.00 96 Y 7.91 4.25 0.00 3.06 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 97 F 7.46 3.73 0.00 3.30 3.24 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 98 A 8.76 4.15 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 99 K 7.91 4.33 0.00 1.75 1.74 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.46 7.81 100 A 8.33 4.27 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 0.00 101 E 8.96 3.89 0.00 2.02 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 1.94 2.23 0.00 102 F 7.95 4.44 0.00 2.98 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 0.00 103 D 8.40 4.62 0.00 2.48 2.42 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 0.00 104 R 7.94 4.67 0.00 1.79 1.85 0.00 3.31 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 105 L 7.55 4.35 0.00 1.56 1.55 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 106 W 8.15 4.48 0.00 3.30 3.23 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 0.00 107 K 7.97 4.66 0.00 1.79 1.76 0.00 1.78 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.40 7.81 108 K 8.53 4.19 0.00 1.84 1.77 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.42 7.81