NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.4215 8.2993 120.0869 55.7621 33.3235 174.7339 7 I 4.1663 8.1916 125.2311 60.1212 39.7807 174.0352 *9 I 4.3104 8.1840 120.3678 60.3395 39.8136 176.3819 10 S 4.7878 8.4899 121.8578 57.9231 64.0403 175.0832 11 S 4.1323 8.7683 116.4642 61.4075 61.9265 176.4210 12 L 3.9491 7.8671 122.5389 58.4456 41.8837 178.6596 13 D 4.6578 8.6979 120.0193 56.5382 40.7850 178.4898 14 A 4.0566 8.5162 122.1248 55.2491 18.4356 179.5735 15 E 3.9675 8.6159 116.5089 59.5957 29.6463 179.5423 16 R 3.8776 8.3119 119.3004 59.0393 30.0773 179.1055 17 L 4.1591 8.4990 119.2349 57.5799 41.5560 179.0600 18 E 3.9647 8.3679 119.3769 59.4357 29.5209 179.0000 19 I 3.6968 7.8265 119.7153 64.2059 37.1873 178.0588 20 L 3.9611 8.1265 121.2314 58.4180 41.7302 179.1806 21 L 4.2014 8.1655 117.7832 57.6870 41.6956 179.0176 22 E 4.1479 8.4709 118.8433 59.7746 29.1856 179.4896 23 T 3.9533 8.0476 114.8608 65.9958 68.7247 175.6926 24 L 4.6235 7.7840 119.3271 54.4258 41.6830 178.3491 25 S 4.0974 7.6149 116.9666 61.9481 62.6431 175.6995 26 Q 4.2360 8.0267 116.0419 56.3053 28.5205 175.7862 27 N 4.8042 8.0645 116.0530 51.3465 39.7538 174.7778 28 A 4.2566 8.1643 131.9949 50.3609 17.9575 177.9331 29 F 4.3576 7.7648 118.6220 55.6504 38.9606 174.0729 30 P 4.3909 0.0000 0.0000 64.2171 31.6944 176.8778 31 G 3.9478 8.8257 108.0428 46.1926 0.0000 175.2842 32 R 3.2697 7.3940 119.9788 59.3996 29.8484 178.0675 33 D 4.3071 7.8307 118.0241 57.5456 40.8234 178.5406 34 D 4.3219 7.9430 118.8565 57.1413 40.8760 178.4236 35 L 3.9948 8.2988 121.2824 58.1879 42.0720 178.8316 36 E 3.9880 8.5946 118.7680 59.3365 29.1652 179.1804 37 A 3.9675 8.0062 119.9329 55.1000 18.2226 178.9861 38 E 4.0350 8.3245 117.7720 59.5093 29.7827 179.0565 39 L 4.0344 8.4308 119.2415 57.7786 41.4510 179.3877 40 A 4.1350 8.2568 120.2232 53.9868 18.3353 178.2170 41 R 4.4105 7.2749 109.9980 55.5619 30.1502 176.1091 42 A 4.2535 7.4611 120.2023 52.5954 19.3128 177.9161 43 E 4.2087 8.8956 120.4685 55.6795 29.7829 176.7780 44 V 4.2360 8.2849 125.8941 62.3054 32.5615 175.2020 45 V 4.7346 8.7483 121.4496 59.6723 36.4231 174.3715 46 D 4.9832 8.4387 119.9867 52.0138 41.1897 176.0360 47 P 4.2729 0.0000 0.0000 65.7308 31.5073 178.8090 48 E 4.0378 7.4442 115.1873 58.7378 29.4047 177.6777 49 E 4.1024 8.1674 118.5588 57.4712 30.0049 176.1480 50 I 4.2833 7.3616 120.0937 59.2460 38.3273 174.0843 51 P 4.4638 0.0000 0.0000 61.8122 31.7478 175.4213 52 P 4.5923 0.0000 0.0000 64.4478 31.4641 177.0354 53 T 4.1433 7.7911 109.1543 62.4280 69.5010 173.7306 54 V 4.6066 7.2910 123.0266 61.2634 33.2472 175.3757 55 V 3.5297 8.8595 129.0273 64.6485 32.3661 173.9539 56 T 4.2202 9.1685 117.0135 62.0714 70.8761 175.2204 *58 N 4.6848 8.9446 113.5126 52.2375 41.3624 174.4581 59 S 3.9921 7.9110 115.9254 58.6162 64.2933 173.3242 60 T 4.6645 9.0942 121.8625 62.4636 69.9379 173.7840 61 V 4.3372 8.7169 127.5065 61.0441 33.2477 174.7143 62 R 4.4500 8.5349 129.3577 55.1618 31.5343 174.9666 63 F 5.1335 9.0085 125.1886 55.6119 42.3282 174.4096 64 R 5.0546 8.5452 121.9279 54.2192 33.0551 175.0582 65 V 4.1565 8.9537 127.1471 62.5551 32.4681 175.2136 66 E 4.0959 9.0323 130.0479 57.5359 29.9990 176.3522 67 S 3.7998 8.8562 117.2765 58.9102 61.7499 170.7565 68 S 4.6124 7.9049 113.2034 57.2594 65.3688 173.4109 69 A 4.4630 8.3442 124.1030 52.0384 19.6113 177.1362 70 E 4.2534 8.3046 119.1464 56.2477 30.6546 175.6309 71 E 5.7392 9.0099 124.7738 53.9006 33.7296 175.3566 72 F 4.5826 7.8227 117.3488 56.2562 42.3983 172.5913 *74 L 4.7081 8.5363 116.2808 55.3042 43.6584 175.9116 75 T 4.9306 8.6516 119.8177 61.7288 70.5876 173.5114 76 L 4.5989 8.6899 129.8454 54.9069 43.2662 176.0778 77 V 4.5597 8.6835 118.8929 59.4087 36.4125 175.0404 78 Y 4.5165 8.3737 119.1880 57.1370 38.8068 175.2345 79 P 4.2450 0.0000 0.0000 65.7776 31.5333 179.0114 80 K 4.0436 8.1643 115.5354 59.1561 32.4983 177.0715 81 D 4.8275 8.1471 117.8691 53.7548 41.2092 176.6824 82 V 3.8080 7.3792 119.4300 62.9415 32.0360 174.7906 83 D 4.7466 8.0570 122.9187 52.6914 42.1777 175.0759 84 T 4.4300 8.3684 108.8311 61.8349 68.8951 175.7545 85 S 4.1333 8.3498 118.6838 59.8545 63.2572 175.5721 86 G 3.9035 8.3677 108.0032 45.0972 0.0000 172.9202 87 E 4.5274 8.2410 119.8504 56.1796 31.1910 175.4338 88 K 5.0111 7.9682 117.6511 55.3625 34.5771 175.7147 89 I 4.5204 8.4885 122.4828 59.2571 41.4605 174.4518 90 S 4.6326 8.6252 124.0694 57.9879 63.3761 174.7793 91 I 3.5810 8.4332 125.9331 63.6501 37.8909 177.7196 92 L 3.5256 7.5411 118.6137 55.9045 41.9147 177.0804 93 A 4.2744 7.6683 122.1574 50.2472 19.3747 174.9544 94 P 4.3130 0.0000 0.0000 64.4255 32.3393 176.1772 95 V 3.7816 8.7861 126.3935 64.0383 30.7461 173.7418 96 G 3.7360 7.9605 105.6268 48.1199 0.0000 175.4953 97 S 4.7909 8.4048 116.7519 60.3179 63.0264 175.8895 98 A 4.2562 7.8038 122.8577 54.3006 18.7881 178.9821 99 L 4.1873 7.8040 117.8060 56.4488 41.5591 177.4619 100 L 4.0372 6.7287 121.1158 56.8439 42.1618 177.2913 101 G 3.9589 8.9746 114.9917 45.3393 0.0000 173.2223 102 L 4.2589 7.6692 119.7936 54.5692 42.5943 175.4509 103 A 5.0609 8.9090 121.2623 50.0866 22.2350 175.4530 104 Q 4.0893 8.3433 121.0051 58.2125 29.3425 177.2090 105 G 4.0481 9.2208 113.5354 45.3204 0.0000 173.7382 106 D 4.5889 8.1280 119.8665 54.4576 41.9280 175.3596 107 E 5.3848 8.7355 121.3704 54.8187 32.1886 175.0356 108 I 4.8817 8.6754 115.4417 59.7375 41.8555 173.3965 109 E 5.6015 8.9330 120.3288 53.6124 33.7443 174.6323 110 W 5.3889 7.7281 117.3930 54.3112 32.3264 172.0605 111 P 4.7899 0.0000 0.0000 62.6686 31.6158 176.0229 112 K 4.4349 8.8816 125.2784 54.3070 33.8630 174.3384 113 P 4.3938 0.0000 0.0000 64.4256 31.6582 176.6757 114 G 3.8917 8.2967 111.6546 44.2058 0.0000 172.4409 115 G 4.0494 8.7836 105.0136 44.5215 0.0000 175.3791 116 G 3.8269 8.7117 108.9288 44.3630 0.0000 172.5599 117 V 4.7888 7.9323 110.1121 59.3646 35.6453 175.2250 118 L 4.3267 8.7643 125.7239 53.5262 43.6897 174.9021 119 R 4.8478 8.2709 127.0073 54.7543 32.2444 175.1186 120 V 4.9672 8.7399 118.8718 59.5559 36.5018 174.2107 121 R 5.0706 8.9657 123.3212 54.3804 32.9617 174.9042 122 I 3.7923 8.8056 127.6329 61.8998 37.2596 176.6955 123 V 4.3071 8.5438 121.2920 61.8486 33.4172 176.1045 124 E 4.6456 7.6019 119.7861 54.6615 33.1935 173.7611 125 V 4.7972 8.2172 125.0898 61.2703 34.0727 174.5618 126 T 4.6639 8.7119 116.8714 60.3725 72.7837 173.7581 127 Y 4.1914 8.5312 119.0965 58.3199 38.1740 175.7468 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 6 K 8.30 4.42 0.00 1.67 1.84 0.00 1.71 0.00 0.00 1.97 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.46 7.81 7 I 8.19 4.17 1.88 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 1.25 1.28 1.03 0.00 0.00 *9 I 8.18 4.31 1.90 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 1.44 1.64 0.94 0.00 0.00 10 S 8.49 4.79 0.00 4.06 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 11 S 8.77 4.13 0.00 3.93 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 12 L 7.87 3.95 0.00 1.81 1.69 0.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.70 4.66 0.00 2.81 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 14 A 8.52 4.06 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 15 E 8.62 3.97 0.00 2.19 2.38 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 2.48 2.34 0.00 16 R 8.31 3.88 0.00 2.15 1.83 0.00 2.88 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 17 L 8.50 4.16 0.00 1.83 1.81 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.37 3.96 0.00 2.18 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 0.00 2.33 2.47 0.00 19 I 7.83 3.70 1.98 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 1.41 0.55 0.90 0.00 0.00 20 L 8.13 3.96 0.00 1.92 1.95 0.95 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 21 L 8.17 4.20 0.00 1.92 1.79 1.17 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.47 4.15 0.00 2.17 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 2.35 2.78 0.00 23 T 8.05 3.95 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 1.22 0.00 0.00 24 L 7.78 4.62 0.00 1.85 1.81 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.61 4.10 0.00 3.93 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 26 Q 8.03 4.24 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 27 N 8.06 4.80 0.00 2.94 2.87 0.00 0.00 6.89 6.95 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 28 A 8.16 4.26 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 29 F 7.76 4.36 0.00 3.22 3.21 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 30 P 0.00 4.39 0.00 2.25 2.13 0.00 4.02 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 31 G 8.83 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 32 R 7.39 3.27 0.00 0.67 1.37 0.00 2.79 0.00 0.00 2.90 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.10 0.00 33 D 7.83 4.31 0.00 2.66 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 34 D 7.94 4.32 0.00 2.82 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 35 L 8.30 3.99 0.00 1.89 1.95 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.59 3.99 0.00 2.15 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 2.35 2.47 0.00 37 A 8.01 3.97 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 38 E 8.32 4.03 0.00 2.16 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 0.00 2.33 2.37 0.00 39 L 8.43 4.03 0.00 1.86 1.73 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.26 4.14 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 41 R 7.27 4.41 0.00 1.94 2.01 0.00 3.09 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.54 0.00 42 A 7.46 4.25 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 43 E 8.90 4.21 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 44 V 8.28 4.24 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 0.80 0.00 0.00 0.95 0.00 0.00 45 V 8.75 4.73 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 0.80 0.00 0.00 1.00 0.00 0.00 46 D 8.44 4.98 0.00 2.87 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 47 P 0.00 4.27 0.00 2.14 2.09 0.00 3.58 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 2.08 2.11 0.00 48 E 7.44 4.04 0.00 1.91 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 2.33 2.26 0.00 49 E 8.17 4.10 0.00 2.12 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 2.32 2.33 0.00 50 I 7.36 4.28 1.92 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 1.32 0.72 0.96 0.00 0.00 51 P 0.00 4.46 0.00 2.18 1.98 0.00 3.61 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 52 P 0.00 4.59 0.00 2.20 2.23 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 53 T 7.79 4.14 4.22 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 1.19 0.00 0.00 54 V 7.29 4.61 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 55 V 8.86 3.53 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 0.95 0.00 0.00 0.85 0.00 0.00 56 T 9.17 4.22 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 1.31 0.00 0.00 *58 N 8.94 4.68 0.00 2.92 3.05 0.00 0.00 7.32 7.57 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 59 S 7.91 3.99 0.00 3.75 3.50 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 60 T 9.09 4.66 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 1.19 0.00 0.00 61 V 8.72 4.34 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.80 0.00 0.00 62 R 8.53 4.45 0.00 1.80 1.61 0.00 3.23 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 63 F 9.01 5.13 0.00 1.55 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.55 5.05 0.00 1.82 1.72 0.00 3.25 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 65 V 8.95 4.16 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 0.85 0.00 0.00 1.07 0.00 0.00 66 E 9.03 4.10 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 67 S 8.86 3.80 0.00 4.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.90 4.61 0.00 3.81 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 69 A 8.34 4.46 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.30 4.25 0.00 2.11 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 2.47 2.39 0.00 71 E 9.01 5.74 0.00 1.86 1.80 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 2.31 2.34 0.00 72 F 7.82 4.58 0.00 3.24 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 *74 L 8.54 4.71 0.00 1.98 1.78 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.65 4.93 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 1.24 0.00 0.00 76 L 8.69 4.60 0.00 1.74 1.47 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.68 4.56 2.10 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 0.85 0.00 0.00 0.98 0.00 0.00 78 Y 8.37 4.52 0.00 3.05 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 79 P 0.00 4.24 0.00 2.18 2.10 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 80 K 8.16 4.04 0.00 1.87 1.96 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.51 7.81 81 D 8.15 4.83 0.00 2.71 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 82 V 7.38 3.81 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 0.75 0.00 0.00 0.95 0.00 0.00 83 D 8.06 4.75 0.00 2.74 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 84 T 8.37 4.43 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 85 S 8.35 4.13 0.00 4.02 4.04 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 86 G 8.37 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.24 4.53 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 88 K 7.97 5.01 0.00 1.66 1.69 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.54 7.81 89 I 8.49 4.52 1.79 0.00 0.00 0.60 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 1.61 0.88 0.00 0.00 90 S 8.63 4.63 0.00 3.87 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.43 3.58 1.65 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.01 0.82 0.00 0.00 92 L 7.54 3.53 0.00 1.35 0.88 0.67 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.67 4.27 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 94 P 0.00 4.31 0.00 1.96 2.00 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 95 V 8.79 3.78 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 0.53 0.00 0.00 0.51 0.00 0.00 96 G 7.96 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.40 4.79 0.00 4.14 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 0.00 98 A 7.80 4.26 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 99 L 7.80 4.19 0.00 1.87 1.78 1.06 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 100 L 6.73 4.04 0.00 1.71 1.61 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.97 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 0.00 102 L 7.67 4.26 0.00 1.84 1.76 1.05 0.89 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 0.00 103 A 8.91 5.06 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 0.00 104 Q 8.34 4.09 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.41 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 105 G 9.22 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.13 4.59 0.00 2.71 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 0.00 107 E 8.74 5.38 0.00 1.83 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 2.37 2.28 0.00 108 I 8.68 4.88 2.04 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 1.03 0.00 0.00 109 E 8.93 5.60 0.00 1.81 1.73 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 2.12 2.11 0.00 110 W 7.73 5.39 0.00 3.30 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.79 0.00 2.04 2.07 0.00 3.88 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 112 K 8.88 4.43 0.00 1.66 1.85 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.37 7.81 113 P 0.00 4.39 0.00 2.07 1.99 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 114 G 8.30 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.78 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.71 3.83 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 0.00 0.00 0.00 117 V 7.93 4.79 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 0.71 0.00 0.00 0.93 0.00 0.00 118 L 8.76 4.33 0.00 1.41 0.87 0.78 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.27 4.85 0.00 1.82 1.67 0.00 3.30 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 120 V 8.74 4.97 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 0.48 0.00 0.00 0.73 0.00 0.00 121 R 8.97 5.07 0.00 1.97 1.74 0.00 3.07 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 122 I 8.81 3.79 1.90 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 0.90 0.55 0.66 0.00 0.00 123 V 8.54 4.31 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 0.58 0.00 0.00 0.89 0.00 0.00 124 E 7.60 4.65 0.00 1.91 1.61 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 2.20 2.24 0.00 125 V 8.22 4.80 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 0.68 0.00 0.00 0.81 0.00 0.00 126 T 8.71 4.66 4.22 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 1.16 0.00 0.00 127 Y 8.53 4.19 0.00 3.01 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.