NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8876 8.3393 109.7364 45.6926 0.0000 172.7555 2 S 4.3297 8.1405 115.3555 58.1579 64.9259 172.9566 3 S 4.4990 8.0108 115.3425 57.9062 67.3348 174.4873 4 G 3.9524 7.7461 109.5851 45.8607 0.0000 171.7600 5 S 4.6616 8.2789 113.1384 57.1540 66.0990 172.0229 6 S 4.4966 8.2140 113.7088 58.0117 64.8810 171.9658 7 G 4.0147 7.7740 109.3661 45.7959 0.0000 171.0223 8 A 4.3000 7.7487 120.4165 52.0076 21.5264 175.2826 9 S 4.7238 8.3776 113.9539 55.6119 64.4396 172.4073 10 P 4.5723 0.0000 0.0000 63.0437 32.3487 175.3870 11 V 4.1320 7.4261 112.6919 61.1882 33.1521 171.1843 12 E 4.6489 8.5182 122.3216 54.2490 31.7499 175.1885 13 N 4.3202 8.1781 116.0166 52.4744 39.3084 173.6067 14 K 4.1516 8.6607 121.5173 55.7567 34.7978 173.6257 15 E 3.7443 8.4649 116.2018 56.3869 29.1020 176.9694 16 V 4.0139 8.0218 122.5780 59.5970 34.4860 175.0790 17 Y 4.7615 7.8090 119.8053 57.3173 38.2583 174.5123 18 Q 4.9014 8.4758 123.1151 54.5739 30.9568 175.3150 19 C 4.2776 8.4594 122.5386 58.9531 32.8300 173.9567 20 R 4.5947 8.5122 124.1611 56.5708 29.8449 176.7530 21 L 4.5875 7.9987 117.9472 55.9179 43.9128 177.2032 22 C 4.5753 7.6840 108.1002 56.6452 30.9623 172.8947 23 N 4.1727 8.0891 116.6104 54.5816 36.2501 173.9246 24 A 4.6583 7.3695 119.0135 49.7363 21.7835 177.7197 25 K 4.3260 8.6363 122.6265 56.9435 32.6879 177.3385 26 L 4.4496 8.8012 126.1952 54.1214 43.2133 176.3212 27 S 4.4533 8.0093 111.4698 58.9855 62.8157 173.6968 28 S 4.7309 7.4106 112.2143 56.9206 65.7197 176.0894 29 L 3.6230 8.3657 124.9348 57.5751 41.5764 178.5922 30 L 4.0152 7.8400 120.2161 58.0163 42.1731 178.1861 31 E 4.0444 8.2200 118.5313 58.8439 29.0612 178.5336 32 Q 4.0518 7.8814 119.4425 59.2102 29.0122 178.1755 33 G 3.6639 7.5171 104.0485 47.4764 0.0000 175.5636 34 S 4.3645 8.0697 117.2530 61.5368 63.2673 176.0191 35 H 4.1746 8.3982 120.9121 59.1439 27.8396 176.6429 36 E 4.1386 7.9166 118.7084 58.7754 28.8835 179.1536 37 R 4.1103 8.5389 119.2718 58.9498 30.2180 178.7133 38 L 4.6292 7.7182 120.3127 57.7804 40.7226 177.6257 39 C 4.4756 7.8230 116.3797 59.9948 31.4071 173.6169 40 R 4.5280 7.4472 116.9922 56.6666 32.1266 176.3491 41 N 4.9364 7.7334 112.5614 52.2165 37.9801 175.9102 42 A 3.7843 8.1945 122.6894 55.1531 18.5666 178.4901 43 A 4.5604 7.8967 120.3466 50.3450 21.9831 174.8776 44 V 5.2621 8.2320 121.9070 60.7995 33.7287 174.8652 45 C 4.2672 8.7537 129.9322 58.6508 32.2290 172.1586 46 P 4.4161 0.0000 0.0000 64.0444 30.7974 176.1063 47 Y 4.8393 7.4976 115.7517 59.8179 39.0866 176.2057 48 C 3.7183 8.0323 111.4017 56.9467 30.9174 173.3021 49 S 3.7098 8.0384 115.8211 59.8642 60.1993 170.8710 50 L 4.3395 7.2364 120.5084 54.4001 44.7357 177.8566 51 R 4.5453 7.7462 118.8666 56.1239 32.6901 175.0428 52 F 4.6879 8.9013 123.2711 55.5825 41.2645 176.4494 53 F 4.5943 9.1562 121.4804 60.7618 39.4119 175.9167 54 S 4.4748 7.5001 115.0263 55.4682 67.1440 173.2517 55 P 4.2824 0.0000 0.0000 65.8196 31.1235 178.7843 56 E 3.8630 7.9034 118.2094 59.2138 29.4075 178.5949 57 L 3.7501 7.8135 118.5530 57.8338 41.6109 179.5840 58 K 3.1209 7.1313 119.0586 59.2713 31.9557 178.5920 59 Q 4.2254 7.3451 117.9780 58.4928 28.9419 179.1856 60 E 4.0602 8.0211 119.1062 59.5124 29.4519 178.6841 61 H 4.0496 7.7604 117.9669 59.6019 29.4159 176.8270 62 E 4.0757 8.7395 120.5304 59.9007 29.0208 179.6910 63 S 4.2026 7.8821 112.5673 60.4361 62.5512 174.7671 64 K 4.4121 7.7226 118.0631 56.4479 32.6947 176.0491 65 C 4.2594 7.6277 119.7224 59.6730 32.0778 172.9290 66 E 4.3581 8.7900 122.7748 58.6606 30.5605 178.1081 67 Y 4.0007 8.2451 116.9331 60.2133 37.7350 177.5774 68 K 2.4905 8.0993 120.7923 59.3613 31.7799 178.2689 69 K 3.8014 7.1808 117.8976 59.6065 32.4331 176.8537 70 L 4.4295 7.7617 118.8975 54.9169 41.7680 176.0004 71 T 4.6223 7.7609 116.5758 61.7912 70.1484 174.8000 72 C 4.6710 8.7303 128.1249 58.0915 29.4964 173.5018 73 L 4.0216 8.4783 124.9444 57.6366 41.7176 179.3140 74 E 3.9347 8.1272 116.4439 59.4301 29.3433 178.8705 75 C 4.7198 7.8576 110.7197 58.7304 30.5590 173.9566 76 M 3.2130 7.5234 116.8049 57.5253 29.6531 178.1345 77 R 4.5798 8.0164 120.1858 54.9032 32.8404 175.8025 78 T 5.0465 8.6130 123.0798 63.6512 69.9561 173.8787 79 F 4.7418 8.6663 121.3606 56.1622 42.7098 174.7099 80 K 4.1467 9.0847 119.4621 58.6990 32.6704 176.1254 81 S 4.7446 7.6335 111.0697 56.0098 66.5529 173.9835 82 S 4.2236 8.5787 112.6540 61.1930 61.6987 175.6275 83 F 4.2268 8.1978 122.9284 61.2752 38.8898 176.8269 84 S 4.0442 7.8947 111.3500 61.4535 62.5926 175.6120 85 I 2.3437 7.1403 120.2937 63.2251 37.5099 177.2473 86 W 4.2802 8.4787 129.6336 61.0083 30.3993 178.1781 87 R 3.4892 7.5021 116.4484 59.2980 29.1318 178.5257 88 H 4.3683 8.4058 118.4194 58.4953 29.4769 176.5664 89 Q 4.2708 7.5896 118.1632 56.5498 29.1760 177.1734 90 V 3.6320 7.3219 119.2450 64.2237 31.7626 177.3141 91 E 3.9756 8.0626 117.7893 58.2301 29.6409 177.1177 92 V 3.9100 6.9865 115.8750 64.9659 32.5368 176.7453 93 H 4.1177 7.8190 117.8414 56.6210 29.5093 175.0124 94 N 4.6132 7.6054 115.7685 53.5646 36.9177 173.9476 95 Q 4.1008 8.5894 118.3370 56.9279 29.9089 176.8174 96 N 4.1310 7.9564 113.8081 53.6077 37.3239 173.1415 97 N 4.3352 8.3676 113.2668 52.5945 37.3879 173.7178 98 M 4.1351 8.4064 117.2175 54.9609 31.2196 175.5463 99 A 3.9086 8.1550 129.3645 50.9206 19.1257 175.3039 100 P 4.4370 0.0000 0.0000 61.9738 32.4422 175.7397 101 T 3.8707 8.0783 113.3528 61.6974 67.4803 173.9102 102 S 4.2132 8.4409 123.6707 58.5091 63.0664 172.9506 103 G 4.1812 7.9118 112.7368 43.6530 0.0000 171.9763 104 P 4.4461 0.0000 0.0000 63.1735 31.5724 176.6725 105 S 4.1252 7.1892 113.4039 58.1258 63.4412 174.6074 106 S 4.3248 8.4207 116.1366 58.1376 63.7675 174.4702 107 G 3.6763 8.3871 110.0675 45.8278 0.0000 172.7351 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 G 8.34 3.89 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 0.00 0.00 0.00 2 S 8.14 4.33 0.00 4.00 3.82 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 3 S 8.01 4.50 0.00 3.83 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 4 G 7.75 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 5 S 8.28 4.66 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 6 S 8.21 4.50 0.00 3.80 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 7 G 7.77 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.75 4.30 1.20 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 9 S 8.38 4.72 0.00 3.80 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 10 P 0.00 4.57 0.00 2.21 2.08 0.00 3.86 0.00 0.00 3.70 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 11 V 7.43 4.13 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 0.92 0.00 0.00 12 E 8.52 4.65 0.00 2.02 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 2.13 2.22 0.00 13 N 8.18 4.32 0.00 2.77 2.78 0.00 0.00 6.01 7.12 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 14 K 8.66 4.15 0.00 1.78 1.76 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.14 1.24 7.81 15 E 8.46 3.74 0.00 2.08 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 2.22 2.23 0.00 16 V 8.02 4.01 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 0.78 0.00 0.00 0.83 0.00 0.00 17 Y 7.81 4.76 0.00 2.92 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 18 Q 8.48 4.90 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 19 C 8.46 4.28 0.00 3.02 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 20 R 8.51 4.59 0.00 1.83 1.91 0.00 3.36 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 1.62 1.58 0.00 21 L 8.00 4.59 0.00 1.55 1.64 0.98 0.87 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 22 C 7.68 4.58 0.00 2.57 2.58 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 23 N 8.09 4.17 0.00 2.83 2.90 0.00 0.00 6.75 6.90 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 24 A 7.37 4.66 1.04 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 0.00 0.00 0.00 0.00 0.00 25 K 8.64 4.33 0.00 1.62 1.74 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.45 7.81 26 L 8.80 4.45 0.00 1.75 1.70 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.01 4.45 0.00 3.97 4.03 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 28 S 7.41 4.73 0.00 3.92 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 29 L 8.37 3.62 0.00 1.69 1.56 -0.20 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.84 4.02 0.00 1.81 1.65 0.92 0.89 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 31 E 8.22 4.04 0.00 2.12 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 2.41 2.41 0.00 32 Q 7.88 4.05 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 33 G 7.52 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 0.00 0.00 0.00 0.00 34 S 8.07 4.36 0.00 4.04 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 35 H 8.40 4.17 0.00 3.31 3.44 0.00 5.77 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.92 4.14 0.00 2.27 1.97 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 2.34 2.59 0.00 37 R 8.54 4.11 0.00 2.01 1.97 0.00 3.12 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 1.63 0.00 38 L 7.72 4.63 0.00 1.88 1.92 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 39 C 7.82 4.48 0.00 2.86 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 40 R 7.45 4.53 0.00 2.04 1.91 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 41 N 7.73 4.94 0.00 2.71 2.96 0.00 0.00 6.71 7.74 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 42 A 8.19 3.78 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 43 A 7.90 4.56 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 44 V 8.23 5.26 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 0.69 0.00 0.00 0.93 0.00 0.00 45 C 8.75 4.27 0.00 3.23 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 46 P 0.00 4.42 0.00 2.00 1.99 0.00 3.52 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 1.08 1.68 0.00 47 Y 7.50 4.84 0.00 3.11 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 48 C 8.03 3.72 0.00 2.50 2.44 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 49 S 8.04 3.71 0.00 3.93 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 50 L 7.24 4.34 0.00 1.65 1.32 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.75 4.55 0.00 1.51 1.76 0.00 3.27 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 52 F 8.90 4.69 0.00 2.96 3.01 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 0.00 0.00 0.00 53 F 9.16 4.59 0.00 2.92 3.18 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 54 S 7.50 4.47 0.00 3.52 3.42 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 55 P 0.00 4.28 0.00 2.19 2.24 0.00 3.48 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 56 E 7.90 3.86 0.00 1.90 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 2.32 2.28 0.00 57 L 7.81 3.75 0.00 1.71 1.32 1.10 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.13 3.12 0.00 1.70 1.78 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.63 7.81 59 Q 7.35 4.23 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 60 E 8.02 4.06 0.00 1.90 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 2.46 2.40 0.00 61 H 7.76 4.05 0.00 3.11 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.74 4.08 0.00 2.31 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 0.00 2.42 2.44 0.00 63 S 7.88 4.20 0.00 3.90 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 64 K 7.72 4.41 0.00 1.89 1.88 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.39 7.81 65 C 7.63 4.26 0.00 3.00 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 66 E 8.79 4.36 0.00 2.22 2.24 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 2.57 2.55 0.00 67 Y 8.25 4.00 0.00 3.16 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 68 K 8.10 2.49 0.00 1.12 1.53 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.18 0.65 7.81 69 K 7.18 3.80 0.00 1.94 1.88 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.44 7.81 70 L 7.76 4.43 0.00 1.77 1.67 0.60 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.76 4.62 4.38 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 1.50 0.00 0.00 72 C 8.73 4.67 0.00 3.09 3.10 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 73 L 8.48 4.02 0.00 1.77 1.79 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.13 3.93 0.00 1.75 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 2.18 2.37 0.00 75 C 7.86 4.72 0.00 3.14 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 76 M 7.52 3.21 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 77 R 8.02 4.58 0.00 2.13 2.00 0.00 3.08 0.00 0.00 2.97 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.50 0.00 78 T 8.61 5.05 4.38 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 1.66 0.00 0.00 79 F 8.67 4.74 0.00 2.80 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 80 K 9.08 4.15 0.00 1.76 1.90 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.52 7.81 81 S 7.63 4.74 0.00 4.01 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 82 S 8.58 4.22 0.00 3.89 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 83 F 8.20 4.23 0.00 3.11 3.08 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 84 S 7.89 4.04 0.00 4.09 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 85 I 7.14 2.34 1.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.28 0.87 0.00 0.00 86 W 8.48 4.28 0.00 3.41 3.26 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 87 R 7.50 3.49 0.00 1.90 1.80 0.00 3.11 0.00 0.00 3.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.00 88 H 8.41 4.37 0.00 3.26 3.13 0.00 5.76 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 7.59 4.27 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.48 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 90 V 7.32 3.63 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 0.40 0.00 0.00 -0.80 0.00 0.00 91 E 8.06 3.98 0.00 1.90 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 2.14 2.28 0.00 92 V 6.99 3.91 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 0.55 0.00 0.00 0.84 0.00 0.00 93 H 7.82 4.12 0.00 3.19 3.28 0.00 5.91 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.61 4.61 0.00 2.69 2.74 0.00 0.00 7.29 7.03 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 95 Q 8.59 4.10 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 96 N 7.96 4.13 0.00 2.76 2.86 0.00 0.00 7.19 8.09 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 97 N 8.37 4.34 0.00 2.92 2.95 0.00 0.00 6.28 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 98 M 8.41 4.14 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 99 A 8.16 3.91 0.74 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 0.00 100 P 0.00 4.44 0.00 2.12 2.03 0.00 3.52 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 101 T 8.08 3.87 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 1.17 0.00 0.00 102 S 8.44 4.21 0.00 3.76 3.67 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 0.00 0.00 0.00 0.00 103 G 7.91 4.18 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 0.00 0.00 0.00 104 P 0.00 4.45 0.00 2.16 2.15 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 105 S 7.19 4.13 0.00 4.00 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 0.00 106 S 8.42 4.32 0.00 3.98 3.89 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 0.00 107 G 8.39 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