NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3905 8.2531 123.5981 51.6563 20.1640 177.4261 2 G 3.5312 8.4364 105.8370 46.8199 0.0000 174.1734 3 W 4.3925 8.3941 120.6876 59.1338 29.4639 176.2345 4 Q 4.2191 8.2872 119.8799 58.9635 28.5029 178.0214 5 S 4.3010 8.1499 115.0663 61.5791 62.8698 176.2183 6 Y 3.8766 8.3352 120.5966 60.6809 37.6121 178.1577 7 V 3.7049 8.0788 118.7950 66.1956 31.4564 177.3937 8 D 4.3783 8.2206 117.6031 57.6000 41.1334 178.2047 9 N 4.3740 8.1588 117.1656 56.7868 38.7450 176.9572 10 L 4.1042 7.8906 118.9495 57.4385 41.9783 178.5211 11 M 4.3199 7.9485 117.4760 56.5093 32.0301 177.7452 12 C 4.2397 7.7098 118.7058 61.7474 31.7958 174.0360 13 D 4.6481 7.9880 118.1814 53.1237 39.5599 177.1021 14 G 3.9155 7.7770 108.1987 46.2086 0.0000 173.8233 15 C 4.4478 8.4890 116.1109 57.8267 29.7828 174.9924 *17 Q 4.2764 7.9517 121.6052 57.0959 30.9296 174.6700 18 E 4.8727 7.8223 113.0123 55.6464 33.4605 174.1131 19 A 5.3637 9.1506 120.8499 51.3515 23.3221 174.9287 20 A 5.0887 9.0760 119.2439 51.0777 23.4345 175.4131 21 I 4.6888 8.7713 121.2381 59.4595 40.0853 175.1190 22 V 4.3392 8.3206 126.6476 60.6263 34.4401 175.1102 23 G 3.7128 7.7559 115.5242 45.6810 0.0000 172.9847 24 Y 4.9567 8.1460 118.0507 56.9872 39.5430 175.2066 25 C 4.2846 7.9689 116.6105 60.4724 27.5830 174.5812 26 D 4.3547 9.3910 125.5676 58.0229 41.7666 177.1828 27 A 4.1318 7.6062 123.1222 50.7793 17.4246 178.1115 28 K 4.5079 7.3858 123.5501 52.7112 31.4882 174.4247 29 Y 4.7309 6.8389 120.2993 55.4044 41.2321 173.7430 30 V 3.8957 8.8279 120.4583 63.5661 31.4727 175.3788 31 W 4.9649 9.1873 127.7583 58.5924 30.3948 176.7309 32 A 4.9139 7.9030 118.7854 51.0202 22.0283 175.1345 33 A 5.1087 8.5265 121.0076 50.6814 22.2503 176.2791 34 T 3.9586 8.7869 116.3022 63.9700 69.5551 174.0595 35 A 4.1248 8.5933 129.4707 53.5313 18.9962 177.6848 36 G 3.8557 9.2789 110.6187 45.1178 0.0000 173.5704 37 G 3.9382 6.8428 107.7677 43.2451 0.0000 174.6227 38 V 3.7659 8.1045 111.3699 63.8196 32.0740 179.1629 39 F 4.4012 8.5288 119.3922 60.4255 38.8177 177.3101 40 Q 4.0852 8.1747 120.3020 58.3965 29.0775 176.6072 41 S 4.7555 8.0066 113.2382 58.0798 63.1592 173.8202 42 I 4.0868 7.4705 122.0303 61.9019 37.3878 176.2693 43 T 4.6861 8.3886 114.5566 59.3274 72.3143 173.8821 44 P 4.2658 0.0000 0.0000 66.0993 31.4512 179.1888 45 V 3.6412 7.7963 116.3596 65.8962 31.5953 177.8144 46 E 4.0458 8.3296 118.6407 59.2229 29.2677 179.2563 47 I 3.7634 8.0509 120.1005 64.6029 37.2481 178.0211 48 D 4.4614 8.3627 119.7934 57.7226 40.4041 178.7388 49 M 4.1296 7.8582 117.4901 58.7006 32.3479 178.0288 50 I 3.8725 7.6389 118.7003 63.9266 37.4436 177.9543 51 V 4.4007 7.7331 109.7622 60.5436 32.5580 176.2769 52 G 3.9706 7.9193 109.2567 44.3662 0.0000 174.7296 53 K 3.6676 8.3970 119.6858 58.7844 32.2852 176.2040 54 D 4.4094 7.3255 116.4555 53.9638 40.6610 175.4604 55 R 4.2387 8.3863 124.7985 55.8394 30.7898 176.5308 56 E 4.6692 8.4506 119.9207 57.6731 31.9330 178.5786 57 G 3.6600 8.2161 105.2319 47.8005 0.0000 175.2278 58 F 4.6126 7.1860 116.9109 58.4529 37.6939 177.1866 59 F 4.3551 8.2737 118.4372 60.4198 38.8256 177.1418 60 T 4.3232 7.9228 114.0872 65.0880 68.9016 175.1469 61 N 4.7262 8.4928 115.5141 51.9023 40.0962 176.1415 62 G 3.9503 8.3718 108.3745 44.7587 0.0000 172.1004 63 L 4.6917 8.0518 117.5838 54.7067 43.6567 174.5107 64 T 5.0999 8.2218 108.0984 59.7086 71.4573 173.4321 65 L 4.7034 8.3271 122.1704 53.9227 44.3233 177.2535 66 G 4.0931 9.9074 112.6644 45.9380 0.0000 173.9045 67 A 3.6872 8.6459 120.1325 51.7550 17.6352 178.5572 68 K 4.2227 7.9713 119.2216 55.3478 32.9570 176.1715 69 K 4.6755 8.6112 126.1010 57.0025 33.3193 175.7857 70 C 5.3520 9.2723 121.3031 58.2991 33.2617 172.8540 71 S 4.9962 8.9893 116.2603 56.8575 65.5660 173.6606 72 V 3.9766 8.1455 123.3677 62.2890 31.4258 175.3765 73 I 4.3294 8.7334 129.5259 63.2668 38.4740 176.5757 74 R 4.7463 7.7003 120.5381 55.1200 33.6853 173.5636 75 D 5.1056 9.1292 125.4404 53.0565 42.3787 175.1048 76 S 4.8206 8.7601 123.8086 58.0845 64.2163 176.6046 77 L 3.7971 8.4381 125.8743 57.4791 41.8345 177.6949 78 Y 4.7945 7.7691 114.6973 57.4125 38.7835 175.0474 79 V 4.1614 7.6151 121.1742 61.1967 32.1629 175.1411 80 D 4.6528 8.6043 127.8476 55.8683 41.1386 176.9516 81 G 4.0104 9.1440 110.8518 45.7315 0.0000 172.7167 82 D 4.6813 7.2061 115.8592 51.8127 43.8404 175.2412 83 C 4.2760 8.2447 113.1366 60.8038 25.9872 172.7200 84 T 5.1455 7.4904 106.2758 60.2160 72.2257 172.6287 85 M 5.1168 8.7828 120.7924 53.7460 36.7901 173.9419 86 D 5.3396 9.0246 121.9554 52.7791 43.6790 175.6021 87 I 5.0953 9.0254 123.0272 59.6359 42.1438 174.2583 88 R 5.1919 8.8872 123.4001 54.7432 33.5055 174.6693 89 T 4.4001 8.9828 116.9181 61.8326 69.6482 173.9088 90 K 4.3223 8.6624 123.2148 55.7573 33.4108 176.9828 91 S 4.3750 8.5266 119.0414 57.3298 62.1754 173.8054 92 Q 4.1122 9.3096 128.9895 58.0300 28.3732 176.8082 93 G 3.8486 8.9094 103.1525 43.0859 0.0000 173.7994 94 G 4.3448 5.9377 117.0629 45.0374 0.0000 172.6529 95 E 4.7486 7.3128 117.2852 52.4302 32.5743 173.4995 96 P 4.1457 0.0000 0.0000 63.3826 31.5185 175.6042 97 T 4.2675 7.6899 108.6876 60.4824 70.7960 173.5123 98 Y 4.8619 8.3823 119.8668 56.3452 41.9948 174.6455 99 N 5.1719 8.8716 120.3607 52.8406 40.7513 174.1422 100 V 5.1471 9.1046 121.9467 61.1206 35.1416 174.0356 101 A 5.1922 8.9602 128.3636 50.0663 22.3737 175.0010 102 V 4.3656 8.6497 120.6776 60.7525 34.7940 174.4800 103 G 4.2113 8.6818 114.8650 44.2649 0.0000 171.7718 104 R 4.6232 8.6712 125.5033 54.6236 31.2487 175.5278 105 A 4.5828 8.3688 132.4085 51.1052 21.1988 176.3414 106 G 3.8015 8.7149 103.3240 48.1068 0.0000 174.9631 107 R 4.1562 8.4833 118.1060 55.8144 32.5597 175.8139 108 V 4.5846 7.3884 109.1514 59.2901 36.3247 174.3509 109 L 4.8319 8.7295 122.3885 53.0275 44.4198 175.6613 110 V 4.5470 8.4361 123.5173 61.3480 33.4260 174.3018 111 F 5.0693 9.0449 126.9081 55.6956 41.7963 175.0651 112 V 5.1587 8.8368 115.4211 59.8408 36.1917 174.0828 113 M 5.3029 9.1895 123.7639 53.6914 34.6402 175.4652 114 G 4.0655 9.1680 114.0049 45.6511 0.0000 173.2183 115 K 4.3624 8.7979 120.9797 55.4524 33.7380 176.3496 116 E 4.2425 8.8501 122.2957 58.2509 29.6727 177.2694 117 G 3.8728 8.9478 113.7929 45.2925 0.0000 173.1341 118 V 3.7808 7.5763 120.3098 62.2612 30.9448 175.6688 119 H 4.7200 8.4804 124.3417 55.1788 29.8005 176.3318 120 G 3.9434 8.6129 106.6584 46.6940 0.0000 176.3783 121 G 3.7085 8.1504 108.2692 47.9560 0.0000 175.9164 122 G 3.6838 8.0775 108.4312 47.3143 0.0000 175.5666 123 L 4.0574 7.4621 118.6064 57.5094 41.6196 179.0292 124 N 4.2957 8.3580 117.0723 56.6624 38.7997 177.0575 125 K 4.0437 8.1084 119.8827 59.2311 32.1340 179.1297 126 K 3.8959 8.1616 119.6626 59.5410 32.0730 178.6684 127 A 3.9349 8.1750 120.9713 55.2033 18.2596 178.6822 128 Y 4.0079 8.4261 118.4538 61.3099 38.8504 178.8378 129 S 3.9247 8.4830 116.0700 61.6878 62.9072 176.4544 130 M 4.0752 8.1386 120.8162 58.4327 31.9261 178.1705 131 A 3.9852 8.2100 121.3054 54.7535 18.4952 179.5762 132 K 3.7266 7.9584 118.3645 59.6488 32.1345 178.1616 133 Y 4.0737 8.0859 119.8816 61.0101 38.5807 178.4334 134 L 4.2330 8.3583 119.6389 57.8081 41.7696 179.4933 135 R 3.9694 8.3986 118.4816 59.6748 29.8982 178.8409 136 D 4.4934 8.0188 116.3576 56.4346 40.8642 177.8663 137 S 4.6123 7.5313 114.2145 58.2131 63.2275 174.7700 138 G 3.8843 8.1683 110.5125 45.1204 0.0000 173.9388 139 F 4.2745 8.6835 124.5137 57.3658 39.2254 175.4760 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 A 8.25 4.39 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.44 3.53 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 0.00 0.00 0.00 3 W 8.39 4.39 0.00 3.57 3.38 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 4 Q 8.29 4.22 0.00 2.40 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 5 S 8.15 4.30 0.00 4.01 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 6 Y 8.34 3.88 0.00 3.47 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 7 V 8.08 3.70 2.35 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 1.21 0.00 0.00 1.08 0.00 0.00 8 D 8.22 4.38 0.00 2.88 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 9 N 8.16 4.37 0.00 2.58 2.84 0.00 0.00 7.29 5.94 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 10 L 7.89 4.10 0.00 1.90 1.78 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 M 7.95 4.32 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.84 0.00 12 C 7.71 4.24 0.00 3.12 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 13 D 7.99 4.65 0.00 2.85 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 14 G 7.78 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 0.00 0.00 0.00 15 C 8.49 4.45 0.00 3.08 3.14 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 0.00 0.00 0.00 0.00 *17 Q 7.95 4.28 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.77 0.00 0.00 0.00 0.00 0.00 1.77 2.16 0.00 18 E 7.82 4.87 0.00 2.04 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 0.00 1.78 1.47 0.00 19 A 9.15 5.36 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 20 A 9.08 5.09 1.17 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 0.00 0.00 21 I 8.77 4.69 1.81 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.31 0.11 0.00 0.00 22 V 8.32 4.34 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 0.77 0.00 0.00 0.76 0.00 0.00 23 G 7.76 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.15 4.96 0.00 2.89 2.84 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 25 C 7.97 4.28 0.00 2.74 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 0.00 0.00 0.00 0.00 26 D 9.39 4.35 0.00 2.66 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 27 A 7.61 4.13 1.17 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 0.00 0.00 28 K 7.39 4.51 0.00 1.94 1.78 0.00 1.70 0.00 0.00 0.61 0.00 0.00 3.22 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.42 7.81 29 Y 6.84 4.73 0.00 3.10 3.07 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 30 V 8.83 3.90 2.18 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 0.86 0.00 0.00 1.03 0.00 0.00 31 W 9.19 4.96 0.00 2.97 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 32 A 7.90 4.91 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.53 5.11 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 34 T 8.79 3.96 4.27 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 1.19 0.00 0.00 35 A 8.59 4.12 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 36 G 9.28 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 0.00 0.00 0.00 37 G 6.84 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 38 V 8.10 3.77 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 0.64 0.00 0.00 0.72 0.00 0.00 39 F 8.53 4.40 0.00 2.99 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 40 Q 8.17 4.09 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.38 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 41 S 8.01 4.76 0.00 3.92 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 42 I 7.47 4.09 1.79 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.42 0.77 0.00 0.00 43 T 8.39 4.69 4.27 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 1.27 0.00 0.00 44 P 0.00 4.27 0.00 2.24 2.24 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.45 0.00 45 V 7.80 3.64 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 1.10 0.00 0.00 0.96 0.00 0.00 46 E 8.33 4.05 0.00 2.23 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 2.41 2.37 0.00 47 I 8.05 3.76 2.07 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 1.56 1.00 1.03 0.00 0.00 48 D 8.36 4.46 0.00 2.93 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 49 M 7.86 4.13 0.00 2.24 2.16 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 2.84 2.74 0.00 50 I 7.64 3.87 2.03 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 1.70 1.06 0.74 0.00 0.00 51 V 7.73 4.40 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 0.42 0.00 0.00 1.15 0.00 0.00 52 G 7.92 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 53 K 8.40 3.67 0.00 1.67 1.81 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.34 7.81 54 D 7.33 4.41 0.00 2.66 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.39 4.24 0.00 1.87 2.23 0.00 3.53 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 56 E 8.45 4.67 0.00 2.01 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 2.19 2.34 0.00 57 G 8.22 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 58 F 7.19 4.61 0.00 3.04 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 59 F 8.27 4.36 0.00 3.35 3.20 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 60 T 7.92 4.32 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 1.25 0.00 0.00 61 N 8.49 4.73 0.00 2.79 2.86 0.00 0.00 7.05 7.46 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 62 G 8.37 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 63 L 8.05 4.69 0.00 1.89 1.80 0.91 0.50 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 64 T 8.22 5.10 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 1.23 0.00 0.00 65 L 8.33 4.70 0.00 1.78 1.65 1.14 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 66 G 9.91 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 67 A 8.65 3.69 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 68 K 7.97 4.22 0.00 1.84 1.90 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.48 7.81 69 K 8.61 4.68 0.00 1.77 1.74 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.49 7.81 70 C 9.27 5.35 0.00 2.92 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 71 S 8.99 5.00 0.00 3.73 3.76 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 72 V 8.15 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 0.12 0.00 0.00 0.26 0.00 0.00 73 I 8.73 4.33 1.99 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 1.11 0.99 0.94 0.00 0.00 74 R 7.70 4.75 0.00 1.89 1.87 0.00 3.13 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 75 D 9.13 5.11 0.00 2.75 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 76 S 8.76 4.82 0.00 3.99 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 77 L 8.44 3.80 0.00 1.70 1.29 0.57 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.77 4.79 0.00 3.05 2.93 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 79 V 7.62 4.16 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 1.00 0.00 0.00 0.98 0.00 0.00 80 D 8.60 4.65 0.00 2.72 2.63 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 81 G 9.14 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 82 D 7.21 4.68 0.00 2.62 2.66 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 83 C 8.24 4.28 0.00 3.16 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 84 T 7.49 5.15 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 1.39 0.00 0.00 85 M 8.78 5.12 0.00 1.69 1.69 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 86 D 9.02 5.34 0.00 2.54 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 87 I 9.03 5.10 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.61 0.96 0.00 0.00 88 R 8.89 5.19 0.00 1.83 1.71 0.00 3.09 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 89 T 8.98 4.40 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 1.36 0.00 0.00 90 K 8.66 4.32 0.00 1.66 1.78 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.51 7.81 91 S 8.53 4.37 0.00 3.80 3.76 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 92 Q 9.31 4.11 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 93 G 8.91 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 94 G 5.94 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 0.00 0.00 0.00 0.00 95 E 7.31 4.75 0.00 2.06 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 0.00 2.14 2.22 0.00 96 P 0.00 4.15 0.00 1.64 1.97 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 97 T 7.69 4.27 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 1.13 0.00 0.00 98 Y 8.38 4.86 0.00 2.89 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 99 N 8.87 5.17 0.00 2.71 2.77 0.00 0.00 6.51 7.68 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 0.00 100 V 9.10 5.15 2.21 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 1.14 0.00 0.00 1.16 0.00 0.00 101 A 8.96 5.19 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 0.00 102 V 8.65 4.37 1.69 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 0.20 0.00 0.00 0.41 0.00 0.00 103 G 8.68 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 0.00 104 R 8.67 4.62 0.00 1.34 1.51 0.00 2.74 0.00 0.00 2.45 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.82 0.00 105 A 8.37 4.58 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 0.00 106 G 8.71 3.80 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 0.00 0.00 0.00 107 R 8.48 4.16 0.00 1.98 1.93 0.00 2.86 0.00 0.00 2.95 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 108 V 7.39 4.58 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 -0.70 0.00 0.00 0.73 0.00 0.00 109 L 8.73 4.83 0.00 1.50 1.01 0.83 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.44 4.55 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 1.04 0.00 0.00 0.89 0.00 0.00 111 F 9.04 5.07 0.00 2.28 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 0.00 0.00 0.00 112 V 8.84 5.16 2.18 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 0.87 0.00 0.00 1.03 0.00 0.00 113 M 9.19 5.30 0.00 1.83 1.70 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 114 G 9.17 4.07 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 0.00 115 K 8.80 4.36 0.00 1.74 1.79 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.60 1.50 7.81 116 E 8.85 4.24 0.00 2.23 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 2.31 2.28 0.00 117 G 8.95 3.87 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 0.00 0.00 0.00 118 V 7.58 3.78 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 0.86 0.00 0.00 1.03 0.00 0.00 119 H 8.48 4.72 0.00 3.26 3.19 0.00 5.67 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 0.00 120 G 8.61 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 0.00 121 G 8.15 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.08 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 L 7.46 4.06 0.00 1.88 1.77 1.04 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 124 N 8.36 4.30 0.00 2.98 2.97 0.00 0.00 7.23 6.33 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 0.00 125 K 8.11 4.04 0.00 2.06 1.89 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.52 7.81 126 K 8.16 3.90 0.00 1.98 2.06 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.48 7.81 127 A 8.18 3.93 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 0.00 128 Y 8.43 4.01 0.00 3.03 3.22 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 0.00 129 S 8.48 3.92 0.00 3.98 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 0.00 130 M 8.14 4.08 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.73 0.00 131 A 8.21 3.99 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 0.00 132 K 7.96 3.73 0.00 1.34 1.68 0.00 1.47 0.00 0.00 1.46 0.00 0.00 2.99 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.29 1.42 7.81 133 Y 8.09 4.07 0.00 3.22 3.17 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 0.00 134 L 8.36 4.23 0.00 1.98 1.89 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.40 3.97 0.00 1.98 2.00 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.90 0.00 136 D 8.02 4.49 0.00 2.71 2.67 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 0.00 137 S 7.53 4.61 0.00 4.01 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 0.00 138 G 8.17 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 0.00 139 F 8.68 4.27 0.00 3.43 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 * Residues marked with a * may have inaccurate shift predictions.