NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.0231 8.0244 121.4507 61.1406 38.4906 174.5114 5 N 4.5167 8.6877 123.9694 50.9084 39.1214 172.7664 6 I 4.5937 8.8592 120.9440 60.6150 39.1870 176.8663 7 D 4.3828 8.5609 123.8257 57.8372 40.6519 177.8150 8 R 4.4368 7.8654 115.4176 56.2016 30.5524 175.9726 9 H 4.5802 7.9900 119.3809 54.6192 30.1584 175.0464 10 A 3.9827 8.3276 131.2129 55.4909 18.3484 178.8570 11 T 3.8159 7.9889 113.5410 66.8650 68.3627 176.5017 12 A 3.9612 8.1583 120.5896 55.1868 18.5654 179.1664 13 Q 4.1119 8.1305 115.6073 59.3475 29.0616 178.9562 14 I 3.9539 8.0485 120.9506 64.2119 36.9810 178.5163 15 N 4.6233 8.3309 115.3115 53.6152 38.1628 176.8640 *17 L 4.1550 7.8946 122.6713 55.1867 43.9389 178.5859 18 A 4.0140 8.3279 119.1256 55.3061 18.3569 178.9569 19 N 4.4342 8.2537 114.0564 56.3957 38.8715 177.3179 20 K 4.1666 7.9666 120.4833 59.2127 32.3116 178.8003 21 L 4.1787 7.8485 116.6648 56.1662 41.6972 178.2553 *23 L 4.3009 7.7969 118.4577 54.4880 43.6954 179.3643 24 K 4.0552 8.2247 117.9593 59.6215 31.8060 179.6995 25 S 4.2726 8.4999 115.7405 61.2736 62.7234 176.3824 26 S 4.2393 8.2790 115.6204 61.9811 62.0272 176.3611 27 T 3.8901 7.8426 117.5602 66.4771 68.1502 176.5480 28 A 3.9867 8.2169 122.6295 55.6351 17.9824 179.4135 29 Y 4.0661 8.5378 115.6165 61.3585 38.0042 178.9549 30 T 4.1949 8.0353 118.1914 66.3484 68.3834 176.8758 31 Q 3.9532 8.0820 118.9038 58.5823 28.7967 178.0911 32 K 3.7128 7.8143 119.5663 57.7775 30.9931 177.1166 33 F 4.6894 8.0728 114.5538 55.8542 40.9267 175.6818 34 G 4.1494 8.3583 108.3457 46.0784 0.0000 173.4982 35 I 5.0085 7.3483 110.8392 58.6271 42.1489 177.5033 36 G 4.3182 9.0032 116.5001 45.9314 0.0000 176.2146 *38 T 4.2723 8.8024 121.8192 63.3395 70.4800 175.4800 39 E 3.9223 8.3024 120.3590 59.2576 29.3938 178.9069 40 W 4.1565 8.1448 128.0974 60.6885 30.6481 178.0498 41 R 3.4855 7.8154 117.2462 59.1844 29.4115 179.0483 42 I 3.5936 7.4850 119.2770 64.2643 37.1779 178.3101 43 I 3.5140 7.5825 120.7947 64.5338 36.7005 178.3895 44 S 3.6875 7.0888 112.7362 61.0446 62.3444 176.0572 45 V 3.5617 7.3550 120.9460 65.9705 31.0660 178.0833 46 L 3.9167 7.8248 117.8702 57.6487 41.4259 179.1725 47 S 3.8350 7.6445 112.7304 60.2535 62.1314 175.3121 48 S 4.4764 7.6087 114.9166 57.3988 64.0672 173.6158 49 A 4.6967 7.1874 123.2745 50.0531 21.8318 174.5831 50 S 4.5848 8.0423 113.5796 55.7694 65.4888 172.5353 51 D 4.2926 8.5438 120.2680 54.5146 41.1131 177.4004 52 C 4.3202 8.6346 122.6623 59.5885 28.8972 173.9699 53 S 4.2842 8.2668 119.4552 56.9604 64.6339 175.5042 54 V 3.6205 8.8395 119.4503 66.0824 31.0342 177.5658 55 Q 3.9411 8.1333 118.7931 59.2752 28.9101 178.3295 56 K 3.9051 8.1285 120.4481 59.4851 32.1473 178.8075 57 I 3.6526 7.7700 120.1426 64.3844 36.9488 178.2858 58 S 4.2592 8.1858 115.4651 61.0104 61.9734 175.9992 59 D 4.3327 8.0406 120.5581 57.3505 40.5960 178.5890 60 I 3.8551 7.6016 119.4821 64.1885 37.2452 177.9117 61 L 4.3021 8.0607 118.3032 54.7695 41.9262 178.2434 62 G 3.9486 8.2667 105.7952 45.1911 0.0000 173.3457 63 L 4.3321 7.4274 120.1520 53.5787 42.8933 176.3238 64 D 4.6851 8.3717 122.2660 53.0772 41.4916 177.6183 65 K 3.9572 8.5938 119.0633 59.5426 31.9223 179.4776 66 A 3.9872 8.0453 120.4289 54.9988 18.4094 179.3488 67 A 3.9214 8.6419 119.6905 55.2803 18.4959 180.0976 68 V 3.5099 7.7463 116.7226 66.1013 31.6290 178.0966 69 S 4.0745 8.4546 113.3481 61.4495 62.2475 176.0982 70 R 3.8926 8.1530 121.3554 59.8809 29.7713 178.6834 71 T 3.9537 8.0038 115.5645 66.4881 68.3340 176.9890 72 V 3.5863 8.3760 120.6990 65.7526 31.5424 177.9102 73 K 3.8988 8.2295 119.4233 59.5278 32.0514 178.8653 74 K 4.0134 8.0560 118.6371 59.6157 31.9598 179.4117 75 L 4.2371 8.2889 119.3127 57.4772 41.5046 179.1962 76 E 4.2066 8.4725 121.2443 58.9114 29.3990 178.7272 77 E 4.0026 8.0887 117.3720 59.1003 29.6220 178.7094 78 K 4.1086 7.9839 115.6521 55.9472 32.3696 177.3162 79 K 3.8996 7.5010 117.5774 57.5952 29.9027 176.5210 80 Y 4.7823 7.9885 119.5888 59.5894 38.8746 175.3712 81 I 5.3509 7.7879 111.3541 59.0482 41.8938 174.0547 82 E 4.7869 9.2488 119.8686 54.5685 33.3396 174.5302 83 V 4.1958 8.4257 121.7620 62.8022 32.6982 174.5388 84 N 4.6960 9.7390 128.3148 51.8516 39.5933 175.7708 85 G 3.5905 8.9410 116.5294 47.0779 0.0000 172.2830 86 H 4.1274 8.3839 117.0440 56.1508 26.9619 176.5264 87 S 4.1226 8.2820 114.1339 61.3729 62.9635 175.2205 88 E 4.5217 8.1029 116.8719 55.6857 29.5161 175.0319 89 D 5.0258 7.7009 118.4564 52.4189 44.3009 176.8571 90 K 4.3869 8.3287 122.1179 54.5863 30.8428 176.3597 91 R 4.5584 7.0477 114.1012 54.8742 32.3997 175.3824 92 T 4.2010 8.1369 110.0603 61.0757 69.5990 173.2015 93 Y 4.7576 8.5002 119.7844 57.5283 38.6923 175.2165 94 A 4.6253 9.3395 120.8606 50.3893 23.2916 174.9052 95 I 4.7794 8.7667 120.9655 60.1314 38.6541 175.3561 96 N 5.1500 8.9216 123.4313 50.9587 42.6490 173.9954 97 L 4.6608 8.4471 121.6200 55.1856 42.7288 177.3523 98 T 4.2883 8.7346 113.8892 60.2283 71.4158 176.0981 99 E 4.1420 8.7145 116.9637 57.2178 29.1725 179.5062 *101 G 4.1058 8.2157 110.2002 45.9076 0.0000 176.0086 102 Q 4.0708 8.5375 119.6130 58.7084 28.6380 178.7074 103 E 4.0205 8.4376 119.6530 59.2689 29.5471 178.9757 104 L 3.9689 8.0828 119.8723 58.4499 42.1237 178.1640 105 Y 4.2411 8.2660 119.3788 60.7518 38.4973 177.6059 106 E 3.9105 8.1734 119.1040 59.4368 29.8101 178.6674 107 V 3.7809 7.6928 116.5654 65.5317 32.0410 177.3925 108 A 3.2957 8.2472 120.2826 53.5837 18.2474 179.5616 109 S 4.0938 7.7860 113.2942 61.4801 62.9347 176.3893 110 D 4.3259 7.9487 122.1815 57.1003 40.5623 178.3401 111 F 4.2115 8.1120 120.4856 61.2133 39.5232 176.8006 112 A 3.9877 7.7642 121.7476 54.6563 18.1918 179.7049 113 I 3.6824 8.0688 118.5273 64.5651 37.0995 178.5417 114 E 3.9425 8.1926 119.3999 59.4914 29.2122 179.6860 115 R 3.7137 7.8222 118.1316 58.9956 30.1477 178.7781 116 E 3.8733 8.1600 119.2867 58.9584 29.4296 178.6527 117 K 3.8746 7.8454 118.6806 59.5316 32.5418 178.1248 118 Q 4.0656 8.2075 119.8903 59.2211 28.7751 177.8419 119 L 3.9551 7.7889 119.9957 57.7313 42.2290 178.0293 120 L 4.2725 7.5409 115.7542 54.0871 41.6220 177.8468 121 E 3.9172 7.7517 120.5940 59.7456 29.4844 178.1540 122 E 4.4389 8.2623 114.0730 56.2746 29.8694 175.7462 123 F 4.6280 8.3544 119.4654 56.2820 40.2277 176.4721 124 E 4.3091 9.2335 125.3511 55.8354 31.3804 177.9876 125 E 4.0259 8.8308 120.2584 59.9539 29.4981 179.7097 126 A 4.1632 8.0149 119.6902 54.6935 18.4227 179.3982 127 E 3.9927 8.0998 117.2822 59.2914 29.6727 179.2241 128 K 3.9622 8.3312 118.6164 59.6409 32.1957 178.9468 129 D 4.5563 8.2991 119.0214 57.6438 40.8165 178.6853 130 Q 4.0046 8.4340 120.1308 59.0351 28.9150 178.1047 131 L 3.9142 8.2469 121.4905 58.3878 42.1867 179.0442 132 F 4.2062 7.9143 117.5141 60.5338 38.6977 177.8290 133 I 3.7711 7.9356 119.4786 64.4841 36.8989 178.5479 134 L 4.0153 8.0878 119.8189 57.6868 41.3910 179.5244 135 L 3.9805 8.2064 119.2606 57.6835 41.4624 179.5232 136 K 4.0245 8.1355 119.5292 59.2967 32.1584 178.9416 137 K 3.9365 8.3575 119.0994 59.4657 31.9038 179.1842 138 L 3.9533 8.1146 119.1936 57.8830 41.5889 179.4649 139 R 3.8804 8.3864 118.9558 59.5752 29.7249 178.1827 140 N 4.3218 8.2533 115.5137 56.2704 38.8452 176.9927 141 K 4.0844 8.0362 120.9318 59.3588 32.0646 178.9713 142 V 3.5823 7.8479 117.8734 66.2468 31.5594 177.5319 143 D 4.4810 8.0655 117.0936 56.9552 40.6451 177.1416 144 Q 4.3108 7.9162 122.6136 56.0231 29.0338 175.4005 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 4 I 8.02 4.02 1.87 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 1.30 1.07 0.91 0.00 0.00 5 N 8.69 4.52 0.00 2.76 2.74 0.00 0.00 6.91 7.06 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 6 I 8.86 4.59 1.84 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 1.40 0.64 0.88 0.00 0.00 7 D 8.56 4.38 0.00 2.83 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 8 R 7.87 4.44 0.00 1.78 1.92 0.00 3.36 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 9 H 7.99 4.58 0.00 3.21 3.31 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.33 3.98 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 11 T 7.99 3.82 4.39 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 1.31 0.00 0.00 12 A 8.16 3.96 1.15 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 0.00 0.00 13 Q 8.13 4.11 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 14 I 8.05 3.95 2.10 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 1.53 0.81 0.92 0.00 0.00 15 N 8.33 4.62 0.00 2.93 2.83 0.00 0.00 6.60 6.92 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 *17 L 7.89 4.16 0.00 1.82 1.96 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.33 4.01 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 19 N 8.25 4.43 0.00 2.77 2.91 0.00 0.00 7.05 7.23 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 20 K 7.97 4.17 0.00 1.83 1.81 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.50 7.81 21 L 7.85 4.18 0.00 1.90 1.86 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *23 L 7.80 4.30 0.00 1.95 1.77 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.22 4.06 0.00 1.94 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.71 7.81 25 S 8.50 4.27 0.00 4.03 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 0.00 26 S 8.28 4.24 0.00 3.97 4.14 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 27 T 7.84 3.89 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 1.23 0.00 0.00 28 A 8.22 3.99 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 29 Y 8.54 4.07 0.00 3.24 3.25 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 30 T 8.04 4.19 4.49 0.00 0.00 0.00 0.00 0.00 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 31 Q 8.08 3.95 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.95 0.00 0.00 0.00 0.00 0.00 2.68 2.44 0.00 32 K 7.81 3.71 0.00 1.07 1.00 0.00 0.61 0.00 0.00 0.72 0.00 0.00 2.51 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 0.43 7.81 33 F 8.07 4.69 0.00 3.24 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 34 G 8.36 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 0.00 0.00 0.00 35 I 7.35 5.01 2.02 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 1.40 1.12 0.93 0.00 0.00 36 G 9.00 4.32 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 0.00 *38 T 8.80 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 1.21 0.00 0.00 39 E 8.30 3.92 0.00 2.23 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 2.45 2.42 0.00 40 W 8.14 4.16 0.00 2.89 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 41 R 7.82 3.49 0.00 1.94 1.85 0.00 3.21 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 42 I 7.49 3.59 1.92 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 1.46 0.71 0.85 0.00 0.00 43 I 7.58 3.51 1.82 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.79 0.89 0.00 0.00 44 S 7.09 3.69 0.00 2.72 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 45 V 7.35 3.56 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 0.88 0.00 0.00 0.85 0.00 0.00 46 L 7.82 3.92 0.00 1.61 1.61 0.88 0.69 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 47 S 7.64 3.84 0.00 2.73 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 48 S 7.61 4.48 0.00 3.98 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 49 A 7.19 4.70 1.14 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 0.00 0.00 50 S 8.04 4.58 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 51 D 8.54 4.29 0.00 2.56 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 52 C 8.63 4.32 0.00 2.81 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 S 8.27 4.28 0.00 3.70 3.61 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 54 V 8.84 3.62 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 1.10 0.00 0.00 1.04 0.00 0.00 55 Q 8.13 3.94 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 56 K 8.13 3.91 0.00 1.80 1.85 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.43 7.81 57 I 7.77 3.65 1.97 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 1.35 0.47 0.87 0.00 0.00 58 S 8.19 4.26 0.00 3.92 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 59 D 8.04 4.33 0.00 2.83 2.70 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 0.00 0.00 0.00 0.00 60 I 7.60 3.86 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.55 0.86 0.00 0.00 61 L 8.06 4.30 0.00 1.58 1.69 0.86 0.84 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 62 G 8.27 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 7.43 4.33 0.00 1.71 1.59 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.37 4.69 0.00 2.90 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 65 K 8.59 3.96 0.00 1.83 1.92 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.54 1.52 7.81 66 A 8.05 3.99 1.35 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 67 A 8.64 3.92 1.41 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 0.00 0.00 0.00 68 V 7.75 3.51 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 0.87 0.00 0.00 0.92 0.00 0.00 69 S 8.45 4.07 0.00 3.97 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 70 R 8.15 3.89 0.00 1.92 2.04 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 71 T 8.00 3.95 4.25 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 1.23 0.00 0.00 72 V 8.38 3.59 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 1.12 0.00 0.00 0.98 0.00 0.00 73 K 8.23 3.90 0.00 2.00 2.00 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.72 7.81 74 K 8.06 4.01 0.00 2.05 1.90 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.66 7.81 75 L 8.29 4.24 0.00 1.90 1.86 0.93 0.92 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 76 E 8.47 4.21 0.00 2.13 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 2.30 2.21 0.00 77 E 8.09 4.00 0.00 2.19 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 0.00 2.35 2.46 0.00 78 K 7.98 4.11 0.00 1.79 1.62 0.00 2.02 0.00 0.00 1.95 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.69 7.81 79 K 7.50 3.90 0.00 1.75 1.85 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.43 7.81 80 Y 7.99 4.78 0.00 2.98 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 81 I 7.79 5.35 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 1.45 1.00 0.96 0.00 0.00 82 E 9.25 4.79 0.00 1.96 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 2.34 2.24 0.00 83 V 8.43 4.20 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 0.79 0.00 0.00 0.93 0.00 0.00 84 N 9.74 4.70 0.00 2.70 2.70 0.00 0.00 6.71 5.99 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 85 G 8.94 3.59 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 0.00 86 H 8.38 4.13 0.00 3.36 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.28 4.12 0.00 3.98 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 88 E 8.10 4.52 0.00 1.99 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 0.00 2.25 2.32 0.00 89 D 7.70 5.03 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.33 4.39 0.00 1.73 1.77 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.41 7.81 91 R 7.05 4.56 0.00 1.79 1.79 0.00 2.91 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.52 0.00 92 T 8.14 4.20 4.25 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 1.20 0.00 0.00 93 Y 8.50 4.76 0.00 3.11 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 94 A 9.34 4.63 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 0.00 0.00 0.00 0.00 0.00 95 I 8.77 4.78 1.88 0.00 0.00 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 1.50 0.99 0.93 0.00 0.00 96 N 8.92 5.15 0.00 2.59 2.64 0.00 0.00 6.67 6.27 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 97 L 8.45 4.66 0.00 1.51 1.63 0.81 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.73 4.29 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 1.29 0.00 0.00 99 E 8.71 4.14 0.00 2.04 2.04 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 2.43 2.28 0.00 *101 G 8.22 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 0.00 102 Q 8.54 4.07 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 103 E 8.44 4.02 0.00 2.13 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 2.39 2.57 0.00 104 L 8.08 3.97 0.00 1.81 1.86 0.83 0.04 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 0.00 105 Y 8.27 4.24 0.00 3.15 3.19 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 0.00 106 E 8.17 3.91 0.00 2.21 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 0.00 2.35 2.37 0.00 107 V 7.69 3.78 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 1.01 0.00 0.00 0.99 0.00 0.00 108 A 8.25 3.30 0.12 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 0.00 109 S 7.79 4.09 0.00 3.87 3.32 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 0.00 110 D 7.95 4.33 0.00 2.75 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 0.00 111 F 8.11 4.21 0.00 3.10 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 0.00 112 A 7.76 3.99 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 8.07 3.68 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.97 0.92 0.00 0.00 114 E 8.19 3.94 0.00 2.02 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 2.46 2.50 0.00 115 R 7.82 3.71 0.00 1.72 1.78 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.86 0.00 116 E 8.16 3.87 0.00 2.12 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 0.00 2.34 2.36 0.00 117 K 7.85 3.87 0.00 1.87 1.99 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 118 Q 8.21 4.07 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 119 L 7.79 3.96 0.00 1.70 1.82 0.90 0.87 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 0.00 120 L 7.54 4.27 0.00 1.66 1.44 0.87 -0.21 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 0.00 121 E 7.75 3.92 0.00 2.08 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 0.00 2.38 2.53 0.00 122 E 8.26 4.44 0.00 1.99 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 2.34 2.29 0.00 123 F 8.35 4.63 0.00 3.08 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 0.00 124 E 9.23 4.31 0.00 2.00 1.89 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 2.34 2.34 0.00 125 E 8.83 4.03 0.00 2.01 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 0.00 2.45 2.37 0.00 126 A 8.01 4.16 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 0.00 127 E 8.10 3.99 0.00 2.32 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 0.00 2.34 2.38 0.00 128 K 8.33 3.96 0.00 2.13 2.04 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.83 7.81 129 D 8.30 4.56 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 0.00 130 Q 8.43 4.00 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 131 L 8.25 3.91 0.00 1.90 1.55 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 132 F 7.91 4.21 0.00 3.18 3.05 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 0.00 133 I 7.94 3.77 2.06 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 1.57 0.76 0.94 0.00 0.00 134 L 8.09 4.02 0.00 1.71 1.72 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.21 3.98 0.00 1.71 1.74 0.79 0.99 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 0.00 136 K 8.14 4.02 0.00 1.98 1.98 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 137 K 8.36 3.94 0.00 2.00 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.63 7.81 138 L 8.11 3.95 0.00 1.86 1.72 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.39 3.88 0.00 1.85 2.09 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 140 N 8.25 4.32 0.00 2.90 2.87 0.00 0.00 7.02 7.88 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 0.00 141 K 8.04 4.08 0.00 1.90 1.95 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 142 V 7.85 3.58 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 0.90 0.00 0.00 0.97 0.00 0.00 143 D 8.07 4.48 0.00 2.87 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 0.00 144 Q 7.92 4.31 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 * Residues marked with a * may have inaccurate shift predictions.