NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7896 8.3049 118.2131 55.4250 32.7749 174.1343 2 K 4.5730 8.7703 117.2947 54.7965 36.8927 174.1663 3 L 4.8024 9.4050 125.1083 54.5419 43.0761 175.4939 4 E 4.7643 9.2612 121.2666 57.7866 32.3340 176.0390 5 R 5.2387 7.7993 116.4668 55.4819 33.6453 173.7144 6 V 5.0996 8.7973 123.6678 60.3695 35.3074 174.1632 7 T 5.1008 9.0963 120.1244 61.8066 71.8889 173.0870 8 V 4.8617 9.3880 125.8146 61.0689 34.9897 174.2604 9 K 5.1673 8.9571 126.5026 53.9509 35.8527 176.1689 10 N 4.4094 8.7636 121.3456 54.3805 36.0860 175.3811 11 F 4.7596 8.1616 119.0407 57.1754 42.8394 174.4183 12 R 3.3964 7.8092 129.7431 57.7845 28.2414 178.0537 13 S 4.3652 8.6296 121.5454 59.7751 63.4701 173.2225 14 H 4.6757 8.3750 120.9687 55.3489 29.5575 175.5238 15 S 4.3530 8.7159 119.2680 60.3365 64.9786 173.4665 16 D 4.8056 7.9112 118.8742 53.3471 42.2958 173.0844 17 T 4.7397 9.6127 120.3070 61.1858 71.4824 173.3306 18 V 4.8212 8.3434 124.7659 61.1297 34.5416 174.5884 19 V 4.2685 8.8355 127.4574 61.0001 34.4684 173.6021 20 E 4.8333 8.5324 128.2793 54.6614 31.3541 174.6578 21 F 5.1313 8.8736 124.4943 55.9048 41.8295 174.9185 22 K 4.8507 9.1767 122.1337 54.4089 35.3459 175.7543 23 E 4.1819 8.5681 118.3958 57.8431 30.3311 178.9356 24 G 3.7719 8.4762 108.1192 45.1058 0.0000 172.5714 25 I 3.9767 8.2630 122.0617 60.7290 37.3432 175.1136 26 N 4.7746 8.7396 124.0675 51.5762 38.9504 174.0852 27 L 4.4827 8.4179 125.7457 53.2922 43.3584 175.5888 28 I 4.3707 8.3350 126.9253 59.7626 38.0422 174.8008 29 I 4.3455 8.0010 126.5962 59.7925 38.4973 175.7961 30 G 3.9641 7.9668 110.5382 45.5164 0.0000 172.8716 31 Q 4.4569 7.8207 119.9617 53.7084 30.7028 174.9673 32 N 4.4631 8.4694 116.4768 55.1153 38.7504 175.9302 33 G 3.9523 8.9016 109.8752 45.9182 0.0000 174.5962 34 S 4.1527 7.9364 115.5947 59.7971 63.4755 175.2105 35 G 4.0934 8.4907 107.2569 44.9773 0.0000 175.5316 36 K 4.0510 8.2218 120.5413 60.1019 32.5042 179.1868 37 S 4.2860 8.0596 114.0604 61.1919 62.2123 176.1301 38 S 4.4133 8.1683 116.2415 60.9791 62.8498 176.0428 39 L 4.0323 8.1459 124.6198 58.2370 41.8981 178.9034 40 L 4.2039 7.8150 117.5983 57.8335 41.4466 179.2431 41 D 4.4753 8.2324 118.4308 57.2997 40.8064 178.5757 42 A 3.4453 8.4888 121.6254 54.9674 18.1904 179.8010 43 I 3.6351 7.6650 118.2475 64.4834 37.1427 178.6459 44 L 3.9352 7.9937 119.8847 57.6766 41.4062 179.8207 45 V 3.8305 8.2070 118.7063 65.8986 31.2775 178.1667 46 G 3.5756 8.1868 104.5664 47.8461 0.0000 175.3531 47 L 3.7351 7.7100 120.3944 56.7678 41.6772 177.9642 48 Y 4.6437 7.4651 113.2920 57.1187 38.3402 175.8129 49 W 4.1943 8.0189 130.5623 56.8110 31.2885 173.7994 50 P 2.9700 0.0000 0.0000 61.3983 31.7305 175.1082 51 L 4.0175 6.7031 119.2605 55.0934 42.6330 174.1535 52 R 4.5457 8.2041 118.7120 54.8683 31.2779 174.8598 53 I 4.4506 8.3020 121.0207 62.1403 44.0815 174.2652 *68 D 4.6592 7.9287 121.7918 54.4031 42.3720 174.6685 69 T 4.9155 8.5223 121.3200 63.2116 70.1075 173.5973 70 Y 5.2504 9.1329 126.8009 55.9135 42.5722 174.0181 71 I 4.7394 8.3139 126.5816 59.4580 41.4447 173.6477 72 D 4.9442 8.7784 126.4532 52.1583 44.1059 173.9285 73 L 5.2660 9.0743 128.1015 53.2895 45.4474 174.8204 74 I 5.1393 9.0961 127.2986 59.5785 40.0307 174.7195 75 F 5.5851 9.0830 120.8776 55.4191 42.2995 172.6541 76 E 5.1929 10.0396 120.5387 54.4169 32.5274 174.6728 77 K 4.8546 9.2177 127.2875 55.7506 36.0568 175.6994 78 D 4.5406 10.1455 128.0020 55.4700 38.4914 174.8813 79 G 3.9800 8.5610 105.8344 45.6272 0.0000 173.9473 80 T 4.2831 7.8865 117.4935 61.3961 70.4372 173.1426 81 K 4.5746 8.0601 127.1668 55.6907 33.6722 174.9590 82 Y 5.3216 8.7486 125.0360 56.4431 41.7652 174.8962 83 R 4.9628 9.0496 121.2083 55.2108 33.8633 173.5724 84 I 4.9771 8.9654 127.4831 59.7975 40.3701 174.6809 85 T 4.8284 9.0103 123.1623 61.7207 71.9336 173.2330 86 R 4.8064 8.8595 124.7666 54.2086 34.6043 174.4474 87 R 4.8479 8.3096 122.5700 54.6621 33.9587 173.5764 88 F 4.8361 9.3238 125.8531 55.5405 41.1517 175.7970 89 L 4.8639 8.7034 130.6832 54.6954 42.1992 180.5423 *94 S 5.1470 8.3451 124.7506 60.4724 63.8682 173.5423 95 G 4.1134 9.9040 106.9732 46.3943 0.0000 171.5236 96 E 5.0094 8.0146 115.0576 54.6632 32.7922 174.5426 97 I 4.5283 8.4466 121.7487 59.9050 40.7155 174.4073 98 H 5.2626 8.5622 121.7686 54.2258 32.6892 172.6486 99 A 4.7600 9.0134 123.7688 50.5227 23.1806 174.4664 100 M 5.1580 8.6450 120.0428 53.8338 35.5178 174.3092 101 K 5.4293 9.4947 124.8266 54.5966 37.2170 175.0228 102 R 5.0980 8.9948 117.2212 54.3378 32.7381 174.4178 103 L 3.7554 8.2830 123.8633 54.1325 43.1451 176.4449 104 V 4.0297 8.1221 125.5800 61.3864 34.7236 177.4358 105 G 3.8074 9.1984 120.8406 46.4438 0.0000 172.5005 106 N 4.7298 9.3029 119.8788 52.7444 41.0147 172.1648 107 E 4.7516 7.9103 114.9221 54.9336 33.5085 174.5672 108 W 5.1112 8.6883 120.3483 55.5646 30.5983 175.9512 109 K 4.7321 8.9110 123.6105 54.3643 35.2528 175.4680 110 H 4.5224 8.8995 120.8283 56.6400 28.6236 175.6444 111 V 3.8612 8.4999 121.9234 64.3499 32.0097 174.9248 112 T 4.3719 7.1771 111.4975 60.5375 70.0195 171.8472 113 E 3.9310 8.5985 124.1799 55.8657 30.2111 176.0000 114 P 4.6932 0.0000 0.0000 62.0753 29.7652 175.8462 115 S 4.7527 7.3531 117.1825 56.1898 68.0906 174.8211 116 S 3.9995 8.6105 117.2556 61.5901 62.2287 176.5322 117 K 3.9052 8.0095 121.4378 59.4001 32.0696 178.4444 118 A 4.0279 7.9277 120.9113 55.3047 18.2563 179.7002 119 I 3.7132 7.8626 118.3449 64.5836 37.2978 178.6421 120 S 4.0695 8.2894 113.8097 61.3005 62.3219 176.1241 121 A 4.0336 8.1756 123.6087 54.9083 18.0270 179.4273 122 F 4.0489 8.3676 119.2249 61.7977 39.5617 177.2978 123 M 4.0414 8.4616 118.5185 58.5061 31.5156 178.6244 124 E 4.3726 8.0342 117.1684 58.6922 29.5976 178.8094 125 K 4.1749 7.0979 116.7976 58.2526 32.6727 178.5988 126 L 4.1246 7.6286 120.0135 56.8216 43.0858 178.0054 127 I 4.5956 7.9987 122.0482 57.0992 38.5797 172.6204 128 P 4.5335 0.0000 0.0000 63.4342 32.5505 176.0563 129 Y 3.4204 9.0857 122.6630 60.9371 38.5842 178.5966 130 N 4.1624 8.0748 117.1322 55.8952 37.4142 177.2081 131 I 3.7025 7.5479 121.7379 63.9365 37.2833 177.9456 132 F 4.0517 8.1780 121.5536 61.4441 39.0895 177.2778 133 L 4.1007 7.6206 117.0763 57.3029 41.4619 178.5501 134 N 4.5277 8.1145 115.1037 54.2447 38.8841 175.6696 135 A 4.6286 8.0460 120.3792 51.6208 21.2087 176.3237 136 I 4.0134 7.5907 113.7450 62.6880 39.0604 175.3798 137 Y 4.0135 7.6903 122.8237 56.5349 38.4591 174.3453 138 I 4.5272 7.6652 128.4933 59.5910 39.1687 175.4056 139 R 4.5694 8.7836 123.8651 53.4342 33.7820 176.2104 140 Q 4.0367 8.8460 120.5404 59.6921 28.7963 179.1557 141 G 3.7231 8.1771 105.9136 48.1155 0.0000 175.4478 142 Q 4.0028 8.0126 119.7737 58.6821 28.6389 178.8372 143 I 3.6649 7.6218 120.2710 64.5276 37.0467 177.8354 144 D 4.3393 8.1149 118.3053 57.5969 40.7573 178.6806 145 A 4.1298 7.9293 119.8467 55.0069 18.3765 179.6186 146 I 3.7980 7.4742 117.6022 64.4831 37.3837 176.8358 147 L 4.3126 7.9334 122.8931 54.9792 41.7161 176.7094 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 4.79 0.00 2.29 2.48 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.69 0.00 2 K 8.77 4.57 0.00 1.79 1.78 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.56 7.81 3 L 9.40 4.80 0.00 1.22 1.49 0.50 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.26 4.76 0.00 2.15 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 0.00 2.36 2.37 0.00 5 R 7.80 5.24 0.00 1.92 1.78 0.00 3.15 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 6 V 8.80 5.10 2.31 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 0.98 0.00 0.00 0.95 0.00 0.00 7 T 9.10 5.10 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 1.42 0.00 0.00 8 V 9.39 4.86 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 1.06 0.00 0.00 0.87 0.00 0.00 9 K 8.96 5.17 0.00 1.84 1.78 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.21 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.56 1.44 7.81 10 N 8.76 4.41 0.00 3.09 2.90 0.00 0.00 6.73 7.45 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 11 F 8.16 4.76 0.00 3.02 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 12 R 7.81 3.40 0.00 1.70 1.01 0.00 3.17 0.00 0.00 2.90 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.87 0.00 13 S 8.63 4.37 0.00 3.90 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 14 H 8.37 4.68 0.00 3.51 3.38 0.00 5.60 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.72 4.35 0.00 3.91 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 16 D 7.91 4.81 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.61 4.74 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 1.26 0.00 0.00 18 V 8.34 4.82 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 0.77 0.00 0.00 0.96 0.00 0.00 19 V 8.84 4.27 1.85 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 0.22 0.00 0.00 0.89 0.00 0.00 20 E 8.53 4.83 0.00 1.94 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 0.00 2.21 2.47 0.00 21 F 8.87 5.13 0.00 3.21 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 22 K 9.18 4.85 0.00 1.73 1.77 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.40 7.81 23 E 8.57 4.18 0.00 1.99 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 2.36 2.28 0.00 24 G 8.48 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 0.00 0.00 0.00 25 I 8.26 3.98 1.89 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 1.43 0.61 0.93 0.00 0.00 26 N 8.74 4.77 0.00 2.86 2.96 0.00 0.00 7.03 7.85 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 27 L 8.42 4.48 0.00 1.60 1.59 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.33 4.37 1.95 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.89 0.98 0.00 0.00 29 I 8.00 4.35 1.89 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 1.36 0.54 0.92 0.00 0.00 30 G 7.97 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 31 Q 7.82 4.46 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 32 N 8.47 4.46 0.00 2.71 2.77 0.00 0.00 6.88 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 33 G 8.90 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 0.00 0.00 0.00 34 S 7.94 4.15 0.00 4.03 4.15 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 0.00 0.00 0.00 0.00 35 G 8.49 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 36 K 8.22 4.05 0.00 2.03 2.14 0.00 1.36 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 37 S 8.06 4.29 0.00 3.97 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 38 S 8.17 4.41 0.00 4.14 4.11 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 39 L 8.15 4.03 0.00 2.01 2.05 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.82 4.20 0.00 2.14 1.95 1.12 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.23 4.48 0.00 3.23 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 42 A 8.49 3.45 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 43 I 7.67 3.64 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.95 0.86 0.00 0.00 44 L 7.99 3.94 0.00 1.92 1.77 0.70 0.70 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 45 V 8.21 3.83 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 1.04 0.00 0.00 46 G 8.19 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 47 L 7.71 3.74 0.00 0.89 0.21 0.25 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.47 4.64 0.00 2.90 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 49 W 8.02 4.19 0.00 3.62 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 50 P 0.00 2.97 0.00 1.44 1.02 0.00 3.64 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 51 L 6.70 4.02 0.00 1.46 1.45 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.20 4.55 0.00 1.77 1.90 0.00 3.36 0.00 0.00 3.04 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 53 I 8.30 4.45 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.70 1.04 0.00 0.00 *68 D 7.93 4.66 0.00 2.76 2.69 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 0.00 69 T 8.52 4.92 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 1.32 0.00 0.00 70 Y 9.13 5.25 0.00 3.00 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 71 I 8.31 4.74 1.64 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.30 0.74 0.00 0.00 72 D 8.78 4.94 0.00 2.28 2.37 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 73 L 9.07 5.27 0.00 1.69 1.44 1.08 0.57 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 74 I 9.10 5.14 1.98 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 1.06 0.54 1.17 0.00 0.00 75 F 9.08 5.59 0.00 3.28 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 76 E 10.04 5.19 0.00 2.07 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 2.26 2.24 0.00 77 K 9.22 4.85 0.00 2.24 2.02 0.00 2.01 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.81 7.81 78 D 10.15 4.54 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 79 G 8.56 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 80 T 7.89 4.28 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 0.34 0.00 0.00 81 K 8.06 4.57 0.00 1.71 1.45 0.00 1.61 0.00 0.00 2.07 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.69 1.53 7.81 82 Y 8.75 5.32 0.00 1.43 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 0.00 0.00 0.00 83 R 9.05 4.96 0.00 0.85 1.09 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.17 0.00 84 I 8.97 4.98 1.88 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 1.29 0.76 0.94 0.00 0.00 85 T 9.01 4.83 4.11 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 1.04 0.00 0.00 86 R 8.86 4.81 0.00 1.41 1.14 0.00 3.04 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.42 0.00 87 R 8.31 4.85 0.00 1.83 1.57 0.00 3.02 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 88 F 9.32 4.84 0.00 2.92 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 89 L 8.70 4.86 0.00 1.79 0.90 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *94 S 8.35 5.15 0.00 3.91 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 95 G 9.90 4.11 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 0.00 0.00 0.00 96 E 8.01 5.01 0.00 1.42 1.65 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 0.00 2.24 2.39 0.00 97 I 8.45 4.53 1.70 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 1.10 1.03 0.83 0.00 0.00 98 H 8.56 5.26 0.00 2.94 3.09 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 9.01 4.76 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 0.00 100 M 8.65 5.16 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 101 K 9.49 5.43 0.00 1.78 1.96 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.50 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.22 1.27 7.81 102 R 8.99 5.10 0.00 1.57 1.96 0.00 2.72 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.46 0.00 103 L 8.28 3.76 0.00 0.27 1.05 -0.12 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.12 4.03 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 0.84 0.00 0.00 0.82 0.00 0.00 105 G 9.20 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 0.00 0.00 0.00 106 N 9.30 4.73 0.00 2.58 2.72 0.00 0.00 6.65 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 0.00 107 E 7.91 4.75 0.00 2.05 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 2.09 2.19 0.00 108 W 8.69 5.11 0.00 3.15 3.15 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 0.00 0.00 0.00 0.00 109 K 8.91 4.73 0.00 1.65 1.66 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.35 7.81 110 H 8.90 4.52 0.00 3.04 3.38 0.00 5.69 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 0.00 111 V 8.50 3.86 1.62 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 0.07 0.00 0.00 1.06 0.00 0.00 112 T 7.18 4.37 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 1.11 0.00 0.00 113 E 8.60 3.93 0.00 1.95 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 2.27 2.28 0.00 114 P 0.00 4.69 0.00 2.22 1.99 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 1.91 1.79 0.00 115 S 7.35 4.75 0.00 4.01 4.06 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 0.00 116 S 8.61 4.00 0.00 3.93 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 0.00 117 K 8.01 3.91 0.00 1.85 1.79 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.49 7.81 118 A 7.93 4.03 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 0.00 119 I 7.86 3.71 1.94 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 1.38 0.72 0.93 0.00 0.00 120 S 8.29 4.07 0.00 3.97 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 0.00 121 A 8.18 4.03 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 0.00 0.00 122 F 8.37 4.05 0.00 3.29 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 0.00 123 M 8.46 4.04 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.88 0.00 124 E 8.03 4.37 0.00 2.13 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 2.52 2.50 0.00 125 K 7.10 4.17 0.00 1.67 1.70 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.60 7.81 126 L 7.63 4.12 0.00 1.08 1.49 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 127 I 8.00 4.60 1.93 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 1.44 0.79 1.10 0.00 0.00 128 P 0.00 4.53 0.00 2.50 2.35 0.00 3.76 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 2.12 2.06 0.00 129 Y 9.09 3.42 0.00 2.59 2.83 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 0.00 130 N 8.07 4.16 0.00 2.89 3.02 0.00 0.00 6.26 7.79 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 0.00 131 I 7.55 3.70 2.09 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 1.53 0.84 0.95 0.00 0.00 132 F 8.18 4.05 0.00 3.22 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 0.00 133 L 7.62 4.10 0.00 1.34 1.53 0.40 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.11 4.53 0.00 2.77 2.81 0.00 0.00 6.75 6.96 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 0.00 135 A 8.05 4.63 1.22 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 0.00 0.00 0.00 136 I 7.59 4.01 1.39 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.61 0.56 0.00 0.00 137 Y 7.69 4.01 0.00 2.18 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 0.00 138 I 7.67 4.53 1.68 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 1.30 0.59 0.80 0.00 0.00 139 R 8.78 4.57 0.00 1.79 1.79 0.00 3.42 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 2.01 0.00 140 Q 8.85 4.04 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 141 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 0.00 142 Q 8.01 4.00 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 143 I 7.62 3.66 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.89 0.89 0.00 0.00 144 D 8.11 4.34 0.00 2.76 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 0.00 145 A 7.93 4.13 1.36 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 0.00 0.00 0.00 146 I 7.47 3.80 1.99 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 1.77 0.82 0.89 0.00 0.00 147 L 7.93 4.31 0.00 1.58 1.57 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.