NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.8422 8.3027 120.3451 55.5443 31.3062 173.4510 2 L 3.9202 8.7549 128.2243 58.4332 41.8274 178.3657 3 L 4.1125 9.2097 119.7788 57.7024 41.9656 178.9489 4 Q 4.0916 7.9700 117.8770 58.8587 28.7172 178.0520 5 F 4.4401 8.4568 121.7698 61.4105 39.3934 176.7041 6 N 4.0261 8.4539 117.0263 56.3357 38.6432 176.8637 7 K 4.0392 8.1594 121.1966 59.6265 32.3248 178.6807 8 M 4.1865 8.4853 119.4558 58.6638 31.9393 178.7854 9 I 3.5635 7.7702 119.9405 64.1788 37.0781 178.4730 10 K 4.3965 8.0053 121.8814 58.7492 31.7925 178.7781 11 F 4.1395 8.3555 120.5493 61.3534 39.4647 176.8044 12 E 4.0127 8.8024 117.3826 59.1868 29.4832 178.6234 13 T 4.2249 8.1462 107.1351 60.9794 70.2021 175.8318 14 R 3.9239 7.8502 119.9071 56.5916 28.6622 175.7214 *16 K 4.6222 7.4141 116.2816 56.0792 33.5613 174.7176 17 N 4.6049 8.5758 119.1571 52.7726 39.4179 175.9807 18 A 4.1725 8.8910 126.0506 54.7156 18.5357 177.0026 19 I 4.5529 7.6954 116.2706 59.2749 38.8108 173.5527 20 P 4.7305 0.0000 0.0000 62.3940 32.0284 176.8118 21 F 4.0742 7.3992 116.5313 59.4578 39.2286 175.5272 22 Y 4.8003 8.9313 116.6995 57.5475 40.1198 176.8968 23 A 4.0576 7.2540 120.9100 53.6759 18.1139 178.2346 24 F 5.1052 7.5206 111.6569 56.3280 41.5184 174.0283 25 Y 4.3827 7.3271 122.0924 58.2586 39.7259 176.1679 26 G 3.4813 8.0141 116.3098 47.2534 0.0000 173.6471 27 C 4.5040 9.0192 115.1474 57.9833 41.0654 174.3092 28 Y 4.5598 8.7423 114.4384 57.6558 39.5577 176.2258 29 C 4.5114 8.5827 117.9098 59.9617 40.3784 174.6822 30 G 4.4275 8.0670 108.6529 44.8722 0.0000 173.4637 *31 W 4.1497 8.4752 119.7098 58.0311 29.5679 174.8715 32 G 4.0305 8.1672 111.1668 44.3417 0.0000 177.2055 33 G 4.1937 10.1477 110.5670 45.9624 0.0000 172.4181 34 R 4.3449 7.3099 119.0796 56.0089 35.0001 175.4176 35 G 4.2963 8.7580 103.9397 45.1515 0.0000 175.0850 36 R 4.6863 8.3293 123.9747 53.1361 32.6926 172.7652 37 P 4.6030 0.0000 0.0000 63.5023 31.7987 176.5784 38 K 3.9756 9.2323 123.2584 58.9434 32.3680 176.2212 39 D 4.5950 7.6367 115.7878 50.9813 42.3506 175.1773 40 A 3.9933 8.9707 119.9869 56.0458 18.1124 179.6635 41 T 3.7652 8.0332 113.3168 67.0883 68.5773 176.2225 42 D 4.5693 8.8720 119.7658 57.1473 41.2019 178.2244 43 R 3.9703 8.4655 120.1009 59.2547 29.9929 177.5125 44 C 4.1645 8.6164 116.8970 60.5931 41.2566 175.7100 45 C 4.2134 8.1810 117.4196 59.7131 40.5677 175.9630 46 F 3.9627 8.2601 122.3876 61.2821 38.9124 177.1222 47 V 3.1695 8.1597 118.1661 66.3685 31.2474 177.3987 48 H 3.5298 8.2769 117.8042 59.1510 29.4786 176.9699 49 D 4.1958 7.9706 120.7952 57.4197 40.5408 178.0864 50 C 4.0463 7.7297 117.0341 60.1105 39.9506 175.2227 51 C 4.0197 8.4518 119.7775 60.0824 43.5944 175.0123 52 Y 4.2186 8.1069 118.3186 60.7333 37.2288 178.1478 53 G 3.6736 8.0928 106.3538 47.4232 0.0000 174.8460 54 K 4.4514 7.5538 117.6576 56.1540 32.8537 176.8526 55 L 4.9188 7.8311 119.1577 54.0342 42.0663 177.6792 56 A 3.9627 7.9842 123.0056 55.0105 19.2037 180.0736 *59 K 4.4968 7.8106 113.0337 56.6184 34.3820 176.1046 *61 C 5.2465 7.6102 115.1010 57.0649 42.5026 172.2501 *67 N 5.1291 8.3358 118.2224 53.6341 38.3864 174.7244 68 T 3.3871 7.6369 111.5572 63.0140 69.4549 176.2959 69 K 3.7880 7.6046 121.0949 56.9631 32.7855 177.7741 70 W 4.9257 7.5185 115.6215 56.4964 30.6773 175.8363 71 D 4.4256 8.0395 119.5207 54.2912 40.3503 175.9607 72 I 4.0611 8.4228 126.2703 60.6864 37.4868 174.9365 73 Y 4.8340 7.7880 126.1979 55.1359 40.3096 173.9009 74 P 5.1202 0.0000 0.0000 62.3785 32.0663 175.5514 75 Y 5.0801 8.1611 119.6926 55.8622 40.6898 173.3513 76 S 4.5004 9.3895 114.6062 56.6657 66.0776 174.2520 77 L 4.4197 7.9821 120.8872 53.6747 43.8080 178.5000 78 K 3.7075 7.3997 118.8519 59.6240 32.0011 177.8085 79 S 3.9317 7.7035 112.8425 60.4486 62.5831 175.2602 80 G 4.3363 8.4083 106.5795 45.1632 0.0000 172.8543 81 Y 5.3012 6.8042 116.0973 55.1789 41.4353 174.9020 82 I 4.1993 8.7515 122.2109 61.7776 38.1099 175.4149 83 T 4.7396 9.0426 124.2713 61.8721 71.5307 172.5418 84 C 4.7009 8.7815 123.7824 56.2121 41.7147 173.1856 *86 G 3.8479 8.5474 110.1674 45.6401 0.0000 172.4917 87 K 4.5868 8.6552 120.2797 56.2423 33.4471 177.6613 88 G 3.9896 8.7212 112.6618 44.7287 0.0000 173.9326 89 T 4.1898 8.8380 114.1275 60.9257 70.8227 175.1830 90 W 4.2074 8.8705 131.5224 61.1100 30.5673 178.5908 91 C 3.9930 8.5139 115.5566 60.3757 33.9251 175.9043 92 E 3.8319 8.2716 119.6858 59.3938 28.9615 179.5414 93 E 3.8105 7.9645 118.4045 59.2474 29.6374 179.0089 94 Q 3.5899 7.6363 118.2305 58.7905 28.5702 179.1331 95 I 3.4357 7.5344 120.7658 64.5263 37.2113 177.6383 96 C 2.9130 7.3498 118.7417 59.0829 42.3258 175.2711 97 E 3.6900 8.1985 121.1574 59.2798 29.2157 177.9874 98 C 4.0696 8.0468 116.7535 60.1688 38.8677 176.0113 99 D 3.5886 7.9444 120.1862 57.0811 40.3429 178.6440 100 R 3.8673 8.1995 119.5186 59.5414 29.9619 178.5957 101 V 3.5136 8.0087 117.9469 66.0761 31.4375 177.8967 102 A 3.9514 8.1701 120.2751 54.8625 18.1840 179.5653 103 A 3.8160 8.5716 119.8902 55.1977 18.4818 179.3655 104 E 3.8667 8.3772 118.0634 59.6370 29.4911 178.0944 105 C 4.1818 8.1799 117.3885 59.8140 44.1004 175.2928 106 L 3.9403 8.0638 120.8153 57.7328 40.9674 179.4659 107 R 3.8811 8.0317 118.6532 59.2263 29.8142 178.0321 108 R 4.2936 7.9021 115.2666 57.0254 30.4478 177.0171 109 S 4.7479 7.7181 114.5166 57.9892 63.9255 175.8109 110 L 4.0698 7.6989 123.0625 57.9542 41.6770 179.6870 111 S 4.1463 8.3212 113.9807 61.4241 62.7714 175.3268 112 T 4.5281 7.4833 107.4161 61.2660 68.7571 173.5693 113 Y 4.0776 7.9430 124.4071 57.9707 39.1972 174.5228 114 K 4.5735 8.3414 126.9672 54.5046 34.1820 177.1769 115 Y 4.1542 8.8130 121.6355 60.8180 38.2663 178.6561 116 G 3.6618 8.0768 108.0870 48.8284 0.0000 173.9417 117 Y 3.3587 7.1411 115.5583 58.5256 37.3998 176.9799 118 M 3.6205 7.2717 120.0864 57.9904 32.4424 175.8035 119 F 4.9509 7.9914 124.5714 56.4576 40.2769 174.2308 120 Y 4.4596 8.0711 121.8731 55.0234 39.7287 174.5277 121 P 4.2895 0.0000 0.0000 62.8314 32.1087 176.9360 122 D 4.4597 8.6783 121.5942 55.9358 41.0652 177.8530 *124 S 4.4308 8.2843 113.6463 58.2601 63.7225 175.0072 125 R 4.5746 7.3261 113.0610 56.6549 29.5614 175.6308 126 C 5.0124 8.0302 113.9054 57.4881 41.5656 173.1511 127 R 4.7068 8.8794 118.9730 53.3721 31.5849 175.5248 128 G 4.0214 8.2528 112.7859 44.1798 0.0000 170.2696 129 P 4.2283 0.0000 0.0000 62.4602 29.4749 174.3812 130 S 4.2547 8.5458 119.0836 58.6994 62.7066 173.3237 131 E 3.9896 8.9274 128.9296 57.1758 29.6584 176.9177 132 T 4.3097 8.5472 116.9170 61.3173 70.1054 175.2502 133 C 4.3382 8.9209 120.1865 57.5969 41.2255 173.7025 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 H 8.30 4.84 0.00 3.24 3.20 0.00 5.67 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 2 L 8.75 3.92 0.00 1.76 1.91 1.05 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.21 4.11 0.00 1.88 1.76 1.14 1.02 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 4 Q 7.97 4.09 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.90 0.00 0.00 0.00 0.00 0.00 2.54 2.32 0.00 5 F 8.46 4.44 0.00 3.30 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 6 N 8.45 4.03 0.00 2.80 3.00 0.00 0.00 6.83 7.14 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 7 K 8.16 4.04 0.00 2.08 2.11 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.57 7.81 8 M 8.49 4.19 0.00 2.15 2.35 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 9 I 7.77 3.56 1.71 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.05 0.60 0.00 0.00 10 K 8.01 4.40 0.00 2.02 1.93 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.60 1.49 7.81 11 F 8.36 4.14 0.00 3.11 3.33 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 12 E 8.80 4.01 0.00 1.97 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 2.71 2.46 0.00 13 T 8.15 4.22 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 0.99 0.00 0.00 14 R 7.85 3.92 0.00 1.96 2.05 0.00 3.06 0.00 0.00 3.09 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 *16 K 7.41 4.62 0.00 1.85 1.37 0.00 1.39 0.00 0.00 0.74 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 1.32 7.81 17 N 8.58 4.60 0.00 3.06 2.87 0.00 0.00 6.85 7.54 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 18 A 8.89 4.17 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 19 I 7.70 4.55 1.90 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 1.24 0.60 1.00 0.00 0.00 20 P 0.00 4.73 0.00 2.23 2.42 0.00 3.52 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 0.94 1.71 0.00 21 F 7.40 4.07 0.00 2.98 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 22 Y 8.93 4.80 0.00 2.90 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 23 A 7.25 4.06 0.59 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 0.00 0.00 24 F 7.52 5.11 0.00 3.06 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 25 Y 7.33 4.38 0.00 3.10 2.90 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 26 G 8.01 3.48 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 0.00 0.00 0.00 27 C 9.02 4.50 0.00 3.19 3.04 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 28 Y 8.74 4.56 0.00 2.99 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 29 C 8.58 4.51 0.00 3.32 3.64 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 30 G 8.07 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 *31 W 8.48 4.15 0.00 2.53 2.12 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 32 G 8.17 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 0.00 0.00 0.00 33 G 10.15 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 0.00 0.00 0.00 34 R 7.31 4.34 0.00 1.64 1.72 0.00 3.18 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 1.55 1.57 0.00 35 G 8.76 4.30 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 0.00 0.00 0.00 36 R 8.33 4.69 0.00 1.68 1.73 0.00 3.23 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.52 0.00 37 P 0.00 4.60 0.00 1.96 2.10 0.00 3.50 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 38 K 9.23 3.98 0.00 1.08 0.93 0.00 0.84 0.00 0.00 0.61 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.20 1.05 7.81 39 D 7.64 4.59 0.00 2.96 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 40 A 8.97 3.99 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 41 T 8.03 3.77 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 0.72 0.00 0.00 42 D 8.87 4.57 0.00 3.06 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 43 R 8.47 3.97 0.00 1.88 2.17 0.00 3.17 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 44 C 8.62 4.16 0.00 3.17 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 45 C 8.18 4.21 0.00 3.34 3.40 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 46 F 8.26 3.96 0.00 2.71 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 47 V 8.16 3.17 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 0.82 0.00 0.00 0.91 0.00 0.00 48 H 8.28 3.53 0.00 3.13 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.97 4.20 0.00 2.88 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 50 C 7.73 4.05 0.00 2.78 2.86 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 51 C 8.45 4.02 0.00 2.81 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 52 Y 8.11 4.22 0.00 3.07 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 53 G 8.09 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 0.00 0.00 0.00 54 K 7.55 4.45 0.00 1.70 1.89 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.66 7.81 55 L 7.83 4.92 0.00 1.50 1.47 0.65 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.98 3.96 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 *59 K 7.81 4.50 0.00 1.99 1.96 0.00 1.97 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.47 7.81 *61 C 7.61 5.25 0.00 2.98 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 *67 N 8.34 5.13 0.00 2.77 3.24 0.00 0.00 7.43 7.22 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 68 T 7.64 3.39 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 0.86 0.00 0.00 69 K 7.60 3.79 0.00 0.79 0.74 0.00 1.35 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.22 1.10 7.81 70 W 7.52 4.93 0.00 3.37 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 71 D 8.04 4.43 0.00 2.79 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 72 I 8.42 4.06 1.88 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 1.44 0.72 0.91 0.00 0.00 73 Y 7.79 4.83 0.00 3.04 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 74 P 0.00 5.12 0.00 1.87 1.86 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.58 0.00 75 Y 8.16 5.08 0.00 3.12 2.97 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 76 S 9.39 4.50 0.00 3.68 3.54 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 77 L 7.98 4.42 0.00 1.28 0.64 0.63 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.40 3.71 0.00 1.66 1.74 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.37 7.81 79 S 7.70 3.93 0.00 2.92 2.80 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 80 G 8.41 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 81 Y 6.80 5.30 0.00 2.98 2.97 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 82 I 8.75 4.20 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.68 1.01 0.00 0.00 83 T 9.04 4.74 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 1.24 0.00 0.00 84 C 8.78 4.70 0.00 2.81 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 *86 G 8.55 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 87 K 8.66 4.59 0.00 1.77 1.77 0.00 1.83 0.00 0.00 2.08 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.39 7.81 88 G 8.72 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 0.00 0.00 0.00 89 T 8.84 4.19 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 1.31 0.00 0.00 90 W 8.87 4.21 0.00 3.40 3.34 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 91 C 8.51 3.99 0.00 3.07 3.12 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 92 E 8.27 3.83 0.00 2.06 2.13 0.00 0.00 0.00 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 93 E 7.96 3.81 0.00 2.00 1.82 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 2.41 2.40 0.00 94 Q 7.64 3.59 0.00 1.27 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 95 I 7.53 3.44 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.43 0.88 0.00 0.00 96 C 7.35 2.91 0.00 1.56 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 97 E 8.20 3.69 0.00 1.99 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 2.18 2.27 0.00 98 C 8.05 4.07 0.00 3.21 2.85 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 99 D 7.94 3.59 0.00 2.65 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 0.00 100 R 8.20 3.87 0.00 1.79 1.98 0.00 3.31 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 101 V 8.01 3.51 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 0.99 0.00 0.00 0.94 0.00 0.00 102 A 8.17 3.95 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 0.00 103 A 8.57 3.82 1.44 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 0.00 0.00 104 E 8.38 3.87 0.00 2.21 2.13 0.00 0.00 0.00 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 2.37 0.00 105 C 8.18 4.18 0.00 3.09 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 0.00 106 L 8.06 3.94 0.00 1.51 1.13 0.21 0.52 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 0.00 107 R 8.03 3.88 0.00 1.87 2.08 0.00 3.02 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.87 0.00 108 R 7.90 4.29 0.00 1.94 1.95 0.00 3.16 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 109 S 7.72 4.75 0.00 3.98 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 0.00 110 L 7.70 4.07 0.00 1.76 1.70 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.32 4.15 0.00 3.88 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 0.00 112 T 7.48 4.53 4.30 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 1.25 0.00 0.00 113 Y 7.94 4.08 0.00 2.93 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 0.00 114 K 8.34 4.57 0.00 1.08 1.25 0.00 1.65 0.00 0.00 1.40 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.16 7.81 115 Y 8.81 4.15 0.00 3.17 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 0.00 116 G 8.08 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 0.00 117 Y 7.14 3.36 0.00 1.68 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 0.00 118 M 7.27 3.62 0.00 1.54 2.25 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.65 0.00 119 F 7.99 4.95 0.00 2.93 2.99 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 0.00 120 Y 8.07 4.46 0.00 2.69 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 0.00 121 P 0.00 4.29 0.00 1.89 1.87 0.00 2.84 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.98 0.00 122 D 8.68 4.46 0.00 2.68 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 *124 S 8.28 4.43 0.00 3.81 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 0.00 125 R 7.33 4.57 0.00 2.01 1.95 0.00 2.88 0.00 0.00 2.74 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 126 C 8.03 5.01 0.00 2.91 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 0.00 127 R 8.88 4.71 0.00 1.70 1.77 0.00 3.44 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 128 G 8.25 4.02 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 0.00 0.00 0.00 129 P 0.00 4.23 0.00 2.19 2.14 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 130 S 8.55 4.25 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 0.00 131 E 8.93 3.99 0.00 1.71 1.16 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 2.17 2.16 0.00 132 T 8.55 4.31 4.30 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 1.26 0.00 0.00 133 C 8.92 4.34 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.