NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7056 8.3501 109.7360 45.3424 0.0000 173.3119 *2 A 4.1441 7.4883 122.5386 50.8897 19.6931 176.0117 3 P 4.2207 0.0000 0.0000 65.7955 31.4302 178.3752 4 D 4.5380 7.9985 114.7044 54.7955 39.6598 176.5819 5 Q 4.3980 8.0303 118.6401 56.2775 29.3271 175.1856 6 Q 4.5549 7.6305 114.9294 54.4487 31.7706 174.0648 7 V 4.3041 7.9946 118.3931 60.1472 33.6141 173.5425 8 P 4.4810 0.0000 0.0000 62.8997 32.2772 175.3275 9 A 5.1050 8.4064 124.6206 51.2385 22.3619 175.0549 10 T 4.4872 8.9439 114.0547 65.0381 70.5979 175.5760 11 A 4.7756 7.5390 120.1183 50.7326 22.5314 175.3028 12 L 4.9565 8.3471 119.5466 53.7714 43.7918 176.3084 13 G 3.8186 8.8610 109.0584 45.9431 0.0000 174.2122 14 K 4.1995 8.8760 123.6914 58.8877 32.4330 177.6409 15 S 4.7116 7.7704 113.4661 56.9546 64.3041 173.7761 16 S 4.8408 8.4423 121.1084 58.0012 64.0776 173.5580 17 R 4.7612 8.9632 121.8110 54.5063 34.1670 174.2842 18 I 5.0983 8.2103 120.8283 59.9492 39.3889 175.2983 19 S 4.5389 8.6892 120.1701 56.4088 67.5428 173.0979 20 L 3.6551 8.7170 115.7180 56.6150 38.4845 174.2989 21 D 4.6435 9.0210 109.7520 55.5087 39.8115 173.9391 22 G 3.9369 8.4641 103.8795 45.5347 0.0000 174.2973 23 R 4.2301 7.6938 117.2917 55.7966 31.8867 175.7217 24 R 5.1937 8.1583 120.6821 54.3269 33.3980 174.2564 25 S 5.2946 9.0034 119.9704 56.8308 66.6452 172.6489 26 E 5.2468 8.9801 119.7369 55.2655 33.2231 173.9432 27 R 4.9731 8.6026 116.5129 54.3897 33.4381 174.6838 28 S 4.8930 8.5283 116.2255 58.8638 64.2308 173.6151 29 V 4.8731 8.7176 115.7102 59.8116 36.0433 174.9172 30 I 4.6160 8.4933 124.1261 59.6877 39.3446 175.9352 31 L 4.5416 8.7851 127.6065 53.5431 42.8967 178.0229 32 A 3.9619 8.2930 122.9268 55.5640 18.1833 178.6261 33 D 4.4617 7.9795 112.4062 54.1742 39.6926 177.2428 34 G 4.0086 8.4815 109.8799 45.3841 0.0000 174.6332 35 S 4.4396 8.2443 117.4573 58.0924 64.7629 172.7056 *37 H 4.7911 8.3957 115.4106 56.3134 30.7937 172.7803 38 S 4.8612 8.8711 117.1461 57.3074 64.2301 173.6709 39 L 4.5604 8.8949 129.4852 54.7325 42.6662 175.4711 40 T 4.9035 8.7051 123.8608 61.3789 71.9254 173.0663 41 L 5.0581 8.7873 127.3292 53.0969 45.0980 174.6232 42 L 5.1382 8.9227 128.3959 53.4156 44.3966 175.5988 43 H 4.8344 9.3370 124.2805 54.8744 29.6474 173.7579 44 P 4.5479 0.0000 0.0000 62.4143 31.9923 176.7008 45 G 3.7701 7.3165 110.8044 45.2842 0.0000 170.6163 46 V 4.5791 7.0652 118.8311 61.0921 33.7064 174.4647 47 Y 4.7496 9.0762 125.6572 56.4475 41.5337 174.7208 48 T 4.8134 8.6586 120.5706 62.0718 69.9444 173.6850 49 L 4.9148 8.5007 126.2862 52.9604 46.3642 175.7511 50 S 5.2587 8.2808 113.6221 57.2715 65.7059 173.3661 51 S 4.5776 9.3519 116.0975 58.8831 65.4285 173.4346 52 E 4.4101 8.9521 120.2367 57.5088 30.2182 177.5481 53 V 4.1660 8.6309 114.7832 61.3780 33.4516 176.8898 54 A 4.3593 8.5745 124.3067 52.5305 19.1449 176.7931 55 E 4.8572 9.1754 119.9952 54.8456 33.3395 175.0558 56 T 4.7501 8.8905 120.7847 61.9704 71.2016 173.4452 57 I 4.8590 8.2091 126.4974 59.6557 39.8893 174.6115 58 R 4.7815 8.9565 126.1021 54.3323 33.0936 174.8712 59 V 4.2426 8.8513 125.9389 62.4208 32.1830 176.5178 60 L 4.2728 9.0522 128.6767 57.1023 42.7081 176.9784 61 S 4.4109 8.0947 110.4545 57.8795 65.5757 173.8229 62 G 4.4533 8.9844 108.0913 45.1418 0.0000 172.9185 *64 A 4.2957 8.3145 124.1092 52.0202 20.6975 174.8585 65 Y 4.9748 8.8893 117.3421 56.5843 40.3775 174.3020 66 Y 5.1508 9.1547 126.2586 56.3108 41.2778 173.8177 67 H 5.0350 8.7948 125.7416 54.0210 33.0147 172.1437 68 A 4.0821 8.0969 128.3850 51.5665 19.0773 177.2658 69 E 3.6978 8.9405 124.3368 59.3386 29.6038 178.4829 70 G 3.8525 7.9153 102.9253 45.3626 0.0000 173.2895 71 A 4.4092 7.6550 122.9614 51.6860 19.5549 177.3654 72 N 4.9371 8.5464 115.4516 53.1169 39.1806 174.7161 73 D 4.7576 7.5331 116.6418 52.9672 45.0215 175.6924 74 V 4.4079 8.0854 114.4177 61.0512 34.2105 174.5938 75 Q 4.7526 9.1543 120.4924 54.7175 30.7867 175.4496 76 E 4.5753 8.9805 124.2353 56.0790 30.6293 176.0809 77 L 4.7176 8.7022 124.4411 53.3873 43.9501 175.4943 78 H 5.2440 9.7034 119.8844 51.9323 33.5849 172.8781 79 A 4.1060 8.5902 122.0545 54.3323 18.3020 178.3213 80 G 3.9825 9.0428 111.3976 45.3457 0.0000 173.7177 81 D 4.6110 7.9842 120.1899 53.8728 41.5953 175.3833 82 S 5.6204 7.8418 114.3860 55.4233 66.4026 173.2271 *84 V 3.7965 8.0758 118.6773 62.7261 31.9033 174.2482 85 I 4.0346 8.2942 128.8472 59.6133 37.9043 174.1121 86 P 4.8031 0.0000 0.0000 61.9076 32.2174 176.2324 87 A 4.1921 8.5036 122.7992 52.6860 19.0954 177.0427 88 N 4.2916 8.5660 115.3704 53.9250 36.7217 174.5056 89 Q 4.7204 8.3493 119.1448 54.5248 31.7613 174.5954 90 S 5.2161 8.7209 122.8025 58.0716 64.7786 172.7294 91 Y 5.1367 8.6526 121.1682 56.0978 41.7846 173.1928 92 R 5.0576 8.9228 120.4169 54.5703 33.3787 174.2191 93 L 5.2828 8.8303 124.8848 53.0842 44.4792 174.9590 94 E 5.0380 9.4638 125.7487 54.6690 31.6428 175.3336 95 V 4.3744 8.9121 128.0873 61.7375 33.9628 174.6230 *97 E 4.3264 8.4256 122.0694 55.1192 30.7953 174.1327 98 P 4.3414 0.0000 0.0000 63.2670 32.6817 174.5339 99 L 4.9859 9.0753 126.8094 53.7884 43.8915 174.5299 100 D 5.5159 9.0087 127.5014 52.9852 42.9359 175.3387 101 Y 5.2757 8.7181 120.6221 55.8548 42.1872 173.4744 102 L 4.9900 9.1027 121.6416 53.4237 43.8146 175.1743 103 L 5.3544 8.9822 126.8329 53.2685 44.4362 175.2615 104 S 5.1911 9.1496 120.8410 56.6062 66.6756 174.5384 105 S 4.1513 8.2342 114.2166 58.8144 62.7659 173.8032 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 0 G 8.35 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 *2 A 7.49 4.14 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 3 P 0.00 4.22 0.00 2.18 2.12 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 4 D 8.00 4.54 0.00 2.78 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 5 Q 8.03 4.40 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 6 Q 7.63 4.55 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.51 2.34 0.00 7 V 7.99 4.30 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 0.83 0.00 0.00 0.91 0.00 0.00 8 P 0.00 4.48 0.00 2.10 1.96 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 2.10 2.09 0.00 9 A 8.41 5.10 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 10 T 8.94 4.49 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 1.21 0.00 0.00 11 A 7.54 4.78 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 12 L 8.35 4.96 0.00 1.56 1.58 0.91 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.86 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 0.00 0.00 0.00 14 K 8.88 4.20 0.00 1.75 1.88 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.46 7.81 15 S 7.77 4.71 0.00 3.84 3.78 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 16 S 8.44 4.84 0.00 3.74 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 17 R 8.96 4.76 0.00 1.89 1.78 0.00 3.13 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 18 I 8.21 5.10 1.86 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 1.39 0.55 0.95 0.00 0.00 19 S 8.69 4.54 0.00 3.81 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 20 L 8.72 3.66 0.00 1.87 1.87 0.73 0.92 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 21 D 9.02 4.64 0.00 2.78 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 22 G 8.46 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 23 R 7.69 4.23 0.00 2.09 2.09 0.00 3.27 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 24 R 8.16 5.19 0.00 1.70 1.65 0.00 3.06 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 25 S 9.00 5.29 0.00 3.85 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 26 E 8.98 5.25 0.00 2.06 1.90 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 2.14 2.25 0.00 27 R 8.60 4.97 0.00 1.84 1.98 0.00 2.74 0.00 0.00 3.37 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 28 S 8.53 4.89 0.00 3.80 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 29 V 8.72 4.87 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 0.66 0.00 0.00 0.93 0.00 0.00 30 I 8.49 4.62 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 1.23 1.10 0.96 0.00 0.00 31 L 8.79 4.54 0.00 1.79 1.58 0.71 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.29 3.96 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 33 D 7.98 4.46 0.00 2.78 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 34 G 8.48 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 35 S 8.24 4.44 0.00 4.00 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 *37 H 8.40 4.79 0.00 3.11 3.31 0.00 5.60 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 38 S 8.87 4.86 0.00 3.71 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.89 4.56 0.00 1.70 1.64 0.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.71 4.90 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 0.90 0.00 0.00 41 L 8.79 5.06 0.00 1.65 1.46 0.96 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.92 5.14 0.00 1.95 1.66 0.19 1.11 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 43 H 9.34 4.83 0.00 3.09 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.55 0.00 2.00 2.07 0.00 3.92 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 2.08 2.25 0.00 45 G 7.32 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 46 V 7.07 4.58 1.90 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 0.77 0.00 0.00 0.84 0.00 0.00 47 Y 9.08 4.75 0.00 2.91 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 48 T 8.66 4.81 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 1.15 0.00 0.00 49 L 8.50 4.91 0.00 0.27 1.10 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.28 5.26 0.00 3.93 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 51 S 9.35 4.58 0.00 4.17 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 0.00 52 E 8.95 4.41 0.00 1.96 1.78 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 2.34 2.35 0.00 53 V 8.63 4.17 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 0.67 0.00 0.00 0.95 0.00 0.00 54 A 8.57 4.36 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 55 E 9.18 4.86 0.00 1.84 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 2.24 2.44 0.00 56 T 8.89 4.75 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 1.20 0.00 0.00 57 I 8.21 4.86 1.72 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 1.19 0.71 0.74 0.00 0.00 58 R 8.96 4.78 0.00 1.88 1.83 0.00 3.13 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 59 V 8.85 4.24 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 1.07 0.00 0.00 0.85 0.00 0.00 60 L 9.05 4.27 0.00 1.65 1.71 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.09 4.41 0.00 3.87 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 62 G 8.98 4.45 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 0.00 *64 A 8.31 4.30 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 65 Y 8.89 4.97 0.00 2.89 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 66 Y 9.15 5.15 0.00 3.06 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 67 H 8.79 5.04 0.00 3.14 3.04 0.00 5.66 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 68 A 8.10 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.94 3.70 0.00 2.07 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 2.32 2.28 0.00 70 G 7.92 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 71 A 7.66 4.41 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 72 N 8.55 4.94 0.00 2.73 2.85 0.00 0.00 6.73 8.06 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 73 D 7.53 4.76 0.00 2.65 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 4.41 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 0.66 0.00 0.00 1.09 0.00 0.00 75 Q 9.15 4.75 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 76 E 8.98 4.58 0.00 1.92 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 2.44 2.48 0.00 77 L 8.70 4.72 0.00 1.47 1.47 0.81 0.83 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 78 H 9.70 5.24 0.00 3.08 3.14 0.00 5.65 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 79 A 8.59 4.11 1.30 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 80 G 9.04 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 81 D 7.98 4.61 0.00 2.85 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.84 5.62 0.00 3.87 3.78 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 *84 V 8.08 3.80 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 0.81 0.00 0.00 0.88 0.00 0.00 85 I 8.29 4.03 1.72 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.20 0.71 0.00 0.00 86 P 0.00 4.80 0.00 1.95 2.00 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 87 A 8.50 4.19 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 88 N 8.57 4.29 0.00 2.91 2.93 0.00 0.00 6.73 7.20 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 89 Q 8.35 4.72 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 90 S 8.72 5.22 0.00 3.84 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 91 Y 8.65 5.14 0.00 2.53 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 92 R 8.92 5.06 0.00 1.85 1.79 0.00 3.02 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 93 L 8.83 5.28 0.00 1.89 1.76 1.06 0.80 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 94 E 9.46 5.04 0.00 2.06 2.02 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 2.33 2.25 0.00 95 V 8.91 4.37 2.46 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 1.07 0.00 0.00 1.13 0.00 0.00 *97 E 8.43 4.33 0.00 2.01 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 2.22 2.29 0.00 98 P 0.00 4.34 0.00 2.07 2.02 0.00 3.58 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 99 L 9.08 4.99 0.00 1.82 1.71 0.95 0.98 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 0.00 100 D 9.01 5.52 0.00 2.66 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 0.00 101 Y 8.72 5.28 0.00 3.07 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 0.00 102 L 9.10 4.99 0.00 1.61 1.65 0.82 0.30 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 0.00 103 L 8.98 5.35 0.00 1.88 1.54 1.11 0.93 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 0.00 104 S 9.15 5.19 0.00 3.78 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 0.00 105 S 8.23 4.15 0.00 3.95 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 * Residues marked with a * may have inaccurate shift predictions.