NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3814 8.3049 120.3490 55.1707 33.1922 175.3338 2 K 4.1607 8.4067 125.6947 53.8190 33.1634 175.1992 3 T 4.1711 8.8585 111.7632 60.8058 70.2106 173.0361 4 P 4.3862 0.0000 0.0000 66.1869 31.0749 178.7929 5 E 4.0148 8.1570 115.2046 59.1888 29.5030 178.2353 6 D 4.6762 7.7428 115.9576 53.9483 41.4512 176.6691 7 C 4.1805 7.1558 117.7472 60.4607 28.4598 174.0181 8 T 4.1502 8.7989 122.0697 65.8708 68.8468 174.5036 9 G 4.0986 7.2964 107.6538 43.8858 0.0000 173.2964 10 L 4.0501 8.4289 117.7575 57.3441 41.3954 179.4243 11 A 3.9843 7.9175 120.7578 55.2786 18.2997 179.2617 12 D 4.2997 8.0012 116.9278 57.3740 41.0005 178.7381 13 I 3.6844 7.6917 120.3375 64.7339 37.0996 178.8077 14 R 3.9848 8.3630 119.0336 58.8253 29.8299 178.6199 15 E 3.8894 8.2281 119.2201 59.3187 29.6245 178.8406 16 A 3.9822 7.7701 120.3970 55.3417 18.3980 179.7347 17 I 3.7214 7.8389 118.3507 64.4628 37.0368 178.4326 18 D 4.3439 8.4342 120.1922 57.4230 40.6987 178.8204 19 R 3.8813 7.9713 119.1312 59.4092 30.0176 178.7019 20 I 3.8093 7.8667 119.7246 64.3342 37.1170 178.0580 21 D 4.3595 8.4588 120.2017 57.2425 40.5527 178.5685 22 L 3.9613 8.2248 121.0694 58.2613 42.0971 178.5980 23 D 4.3882 8.1210 118.7855 57.5021 40.6703 179.0944 24 I 3.7039 7.8514 120.0707 64.4380 37.2184 178.3546 25 V 3.5958 8.0851 119.4669 66.4902 31.2520 178.1224 26 Q 4.0328 8.5306 117.5773 58.8568 28.5281 178.4373 27 A 4.0744 8.1979 121.8593 55.2808 18.4120 179.7392 28 L 4.2076 8.4319 117.8468 57.6975 41.1361 179.9482 29 G 3.6947 8.2066 105.8933 47.9903 0.0000 176.0773 30 R 4.0629 8.2480 120.8188 58.8581 30.0710 179.0701 31 R 4.0581 8.3719 118.7179 59.6701 29.9430 178.1728 32 M 4.3702 8.5146 118.0560 58.8435 32.2925 177.8160 33 D 4.2524 7.7875 118.0810 57.7377 41.0188 178.5670 34 Y 4.0907 7.8959 116.8033 60.9125 37.6497 178.5089 35 V 3.7189 7.9517 118.4280 65.9834 32.0054 177.9521 36 K 3.8286 8.3354 118.3221 59.3017 31.7189 179.2148 37 A 4.0273 7.9713 120.6559 55.0167 18.2779 179.4048 38 A 4.4238 8.1429 119.1251 54.7777 18.2846 179.8175 39 S 4.4434 8.1576 113.0460 61.1991 62.9017 176.0881 40 R 4.1466 7.6075 117.2449 57.1796 29.3115 176.7866 41 F 5.0087 7.6252 117.8324 57.1789 39.4093 174.8691 42 A 4.7531 7.8331 123.7597 50.1466 20.8395 177.2514 43 A 4.2573 8.9216 126.7335 54.6509 18.5361 176.8447 44 S 4.6180 7.5482 108.0941 56.0709 66.1384 174.3448 45 E 3.1822 7.5424 121.3111 58.6188 29.3524 179.5409 46 A 3.8592 7.3462 121.1777 54.9486 18.4575 179.2034 47 A 4.1255 7.3455 115.9157 54.4513 17.8890 179.7632 48 I 3.7834 7.3706 119.0228 64.2061 37.0535 176.6366 49 P 4.3698 0.0000 0.0000 63.5044 32.7142 176.5359 50 A 3.7711 7.4897 118.2523 52.0614 16.2621 175.2183 51 P 4.3107 0.0000 0.0000 64.8191 31.7154 178.1208 52 E 3.9156 8.1084 117.9122 59.1680 29.6192 178.6825 53 R 3.8585 8.0519 118.8711 59.2802 30.2516 178.6772 54 V 3.5312 7.7329 117.3956 65.9951 31.4131 177.6960 55 A 3.9736 7.9358 119.1104 55.0750 18.0737 179.1252 56 A 4.0463 7.7840 119.3869 55.2258 18.5166 179.8103 57 M 3.7369 8.0132 117.3822 58.5338 32.0008 178.4340 58 L 3.8372 7.7288 119.0656 57.5331 41.7722 177.8884 59 P 4.1976 0.0000 0.0000 65.6542 31.2129 178.0403 60 E 3.4198 7.3127 119.2215 59.0635 29.4120 178.9712 61 R 3.4343 7.3511 117.8196 58.5378 29.9719 178.7907 62 A 3.9545 7.7876 120.8405 55.0617 18.4231 179.5951 63 R 4.0475 7.8511 118.5985 58.9609 29.8110 178.7058 64 W 4.4356 7.9478 118.4764 59.7493 28.9952 178.2367 65 A 4.1476 8.3628 120.7517 55.4379 17.9775 179.5841 66 E 4.0371 8.1267 116.5629 59.6166 29.3504 179.3314 67 E 4.3067 8.2278 116.9670 58.1159 29.4945 177.4281 68 N 4.8684 7.4555 114.8063 52.4968 39.0348 174.5669 69 G 3.9379 7.9649 105.2404 46.9222 0.0000 174.1237 70 L 4.8043 8.1180 118.2606 51.7226 44.9449 176.8137 71 D 4.3794 8.7332 119.8938 54.6394 41.9520 176.6627 72 A 4.0143 8.7999 129.2437 55.1758 18.4448 177.1062 73 P 4.2752 0.0000 0.0000 65.7129 31.4079 178.4740 74 F 4.2543 8.7530 119.2687 61.4795 39.3670 177.3410 75 V 3.2397 7.8141 117.5395 65.9038 31.3778 177.4839 76 E 4.1037 8.8336 119.5905 59.3515 28.8859 179.1212 77 G 3.5938 8.4009 106.1509 47.6079 0.0000 175.7248 78 L 3.8356 7.6428 121.3059 57.6138 41.4883 179.7019 79 F 3.9073 8.2567 117.5046 60.1344 38.8656 177.3535 80 A 4.0248 8.0448 120.5778 55.5756 18.1134 179.8238 81 Q 3.9864 7.7812 114.9571 59.1802 28.8701 178.6964 82 I 3.8871 7.8354 120.9328 64.7166 37.1102 178.5215 83 I 3.8312 8.6244 120.7739 64.9525 37.0703 178.3416 84 H 4.2875 8.1143 116.5301 58.4411 28.3610 177.6529 85 W 4.2530 8.5726 130.3773 60.9348 30.5802 177.7213 86 Y 3.8256 8.5345 116.5809 60.6697 37.2688 178.1507 87 I 3.7005 8.2599 121.0787 64.4941 37.1887 178.3093 88 A 3.9192 7.8542 121.2997 55.1079 18.1540 179.5736 89 E 3.6213 7.9676 117.4209 59.2266 29.4349 179.2875 90 Q 4.0469 8.4704 119.9620 59.3282 29.0963 178.3925 91 I 3.7547 7.8820 120.8109 64.1840 37.0464 178.1310 92 K 3.8759 7.8099 120.1448 59.8915 32.1434 178.0411 93 Y 4.0267 8.1522 119.5702 60.3255 38.5795 177.6748 94 W 4.0001 8.9086 129.6218 60.6696 30.6176 178.0258 95 R 4.1494 8.3908 116.6888 59.5186 29.6684 178.2343 96 Q 4.0202 8.0153 118.4040 58.9439 28.9816 177.9861 97 T 4.1116 7.1331 107.0682 59.7364 71.6885 173.9424 98 R 2.5100 7.7232 121.0080 56.2233 27.3776 176.3569 *99 G 3.3409 5.8616 108.5870 45.4936 0.0000 170.8468 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 M 8.30 4.38 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 K 8.41 4.16 0.00 1.87 1.73 0.00 1.80 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.49 7.81 3 T 8.86 4.17 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 4 P 0.00 4.39 0.00 2.17 2.16 0.00 3.60 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 2.12 2.19 0.00 5 E 8.16 4.01 0.00 1.91 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 2.32 2.46 0.00 6 D 7.74 4.68 0.00 2.67 2.71 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 7 C 7.16 4.18 0.00 3.11 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 8 T 8.80 4.15 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 1.21 0.00 0.00 9 G 7.30 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 0.00 0.00 0.00 10 L 8.43 4.05 0.00 1.70 1.73 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.92 3.98 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 12 D 8.00 4.30 0.00 2.83 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 13 I 7.69 3.68 2.00 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 1.64 0.99 0.91 0.00 0.00 14 R 8.36 3.98 0.00 1.89 1.97 0.00 3.23 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 15 E 8.23 3.89 0.00 2.05 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 2.31 2.34 0.00 16 A 7.77 3.98 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 17 I 7.84 3.72 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 1.53 0.76 0.95 0.00 0.00 18 D 8.43 4.34 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 19 R 7.97 3.88 0.00 2.03 2.11 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 20 I 7.87 3.81 1.88 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 0.56 0.93 0.00 0.00 21 D 8.46 4.36 0.00 2.72 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 22 L 8.22 3.96 0.00 1.84 1.82 0.93 1.57 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 23 D 8.12 4.39 0.00 2.98 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 24 I 7.85 3.70 2.04 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 1.43 0.77 0.91 0.00 0.00 25 V 8.09 3.60 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 1.05 0.00 0.00 0.96 0.00 0.00 26 Q 8.53 4.03 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 27 A 8.20 4.07 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 28 L 8.43 4.21 0.00 1.98 1.93 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.21 3.69 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 0.00 0.00 0.00 0.00 30 R 8.25 4.06 0.00 2.13 2.16 0.00 3.20 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 31 R 8.37 4.06 0.00 2.09 2.14 0.00 2.93 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 1.37 1.55 0.00 32 M 8.51 4.37 0.00 2.43 2.29 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 33 D 7.79 4.25 0.00 2.80 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.90 4.09 0.00 3.17 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 35 V 7.95 3.72 2.34 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 1.00 0.00 0.00 1.07 0.00 0.00 36 K 8.34 3.83 0.00 1.52 0.75 0.00 1.41 0.00 0.00 0.94 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 1.10 7.81 37 A 7.97 4.03 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 0.00 0.00 38 A 8.14 4.42 1.57 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 0.00 0.00 39 S 8.16 4.44 0.00 4.53 4.44 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 40 R 7.61 4.15 0.00 1.70 1.90 0.00 2.74 0.00 0.00 3.03 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.50 0.00 41 F 7.63 5.01 0.00 3.17 3.09 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 42 A 7.83 4.75 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 43 A 8.92 4.26 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 44 S 7.55 4.62 0.00 3.76 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.54 3.18 0.00 1.71 1.58 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 1.47 1.47 0.00 46 A 7.35 3.86 1.18 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 0.00 0.00 47 A 7.35 4.13 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.37 3.78 1.88 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 1.49 0.60 0.96 0.00 0.00 49 P 0.00 4.37 0.00 2.01 2.14 0.00 3.94 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 2.00 2.14 0.00 50 A 7.49 3.77 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 0.00 0.00 51 P 0.00 4.31 0.00 2.17 2.13 0.00 3.60 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 2.11 2.15 0.00 52 E 8.11 3.92 0.00 2.02 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 2.36 2.35 0.00 53 R 8.05 3.86 0.00 1.96 1.89 0.00 3.30 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 54 V 7.73 3.53 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 0.96 0.00 0.00 0.95 0.00 0.00 55 A 7.94 3.97 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 56 A 7.78 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 M 8.01 3.74 0.00 1.95 2.17 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.48 0.00 58 L 7.73 3.84 0.00 1.66 1.64 0.92 0.88 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 59 P 0.00 4.20 0.00 2.15 2.23 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 60 E 7.31 3.42 0.00 1.50 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 0.00 1.47 1.66 0.00 61 R 7.35 3.43 0.00 1.64 1.54 0.00 2.95 0.00 0.00 2.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 62 A 7.79 3.95 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 63 R 7.85 4.05 0.00 1.91 1.91 0.00 3.11 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.52 0.00 64 W 7.95 4.44 0.00 3.54 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 65 A 8.36 4.15 1.49 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 0.00 0.00 66 E 8.13 4.04 0.00 2.25 2.05 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 2.36 2.39 0.00 67 E 8.23 4.31 0.00 2.22 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 2.40 2.49 0.00 68 N 7.46 4.87 0.00 2.84 2.83 0.00 0.00 6.96 7.32 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 69 G 7.96 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 70 L 8.12 4.80 0.00 1.79 1.73 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.73 4.38 0.00 2.83 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 72 A 8.80 4.01 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 73 P 0.00 4.28 0.00 2.36 2.17 0.00 4.00 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 74 F 8.75 4.25 0.00 3.13 3.35 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 75 V 7.81 3.24 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 1.24 0.00 0.00 1.13 0.00 0.00 76 E 8.83 4.10 0.00 2.20 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 0.00 2.31 2.47 0.00 77 G 8.40 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 78 L 7.64 3.84 0.00 1.53 1.26 0.53 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.26 3.91 0.00 3.16 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 80 A 8.04 4.02 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 0.00 0.00 81 Q 7.78 3.99 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 82 I 7.84 3.89 1.90 0.00 0.00 0.26 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 0.73 0.99 0.00 0.00 83 I 8.62 3.83 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.94 0.89 0.00 0.00 84 H 8.11 4.29 0.00 3.42 3.43 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 8.57 4.25 0.00 3.43 3.36 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 86 Y 8.53 3.83 0.00 3.24 3.06 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 0.00 0.00 0.00 87 I 8.26 3.70 2.07 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 1.50 0.82 0.93 0.00 0.00 88 A 7.85 3.92 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 89 E 7.97 3.62 0.00 1.72 1.74 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 1.47 1.68 0.00 90 Q 8.47 4.05 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 91 I 7.88 3.75 1.85 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 1.30 0.48 0.89 0.00 0.00 92 K 7.81 3.88 0.00 1.75 1.94 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.47 7.81 93 Y 8.15 4.03 0.00 3.19 3.16 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 94 W 8.91 4.00 0.00 3.57 3.35 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 95 R 8.39 4.15 0.00 2.04 2.08 0.00 3.30 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 96 Q 8.02 4.02 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 97 T 7.13 4.11 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 0.45 0.00 0.00 98 R 7.72 2.51 0.00 1.57 1.52 0.00 3.05 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.33 0.00 *99 G 5.86 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.