NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7470 8.2085 109.7403 45.2817 0.0000 172.6860 *23 A 4.2572 8.1517 122.2630 51.8070 19.6827 176.5694 24 S 4.5145 8.4395 116.2736 57.6285 63.3462 174.0507 25 I 4.0904 8.1673 125.0606 61.8134 38.1909 176.0424 26 V 3.4529 7.7896 120.9059 62.0312 31.3677 176.1074 27 G 3.5766 7.5948 113.9026 45.1740 0.0000 169.6438 28 S 4.9304 7.3970 114.3292 56.2779 64.2983 173.2476 29 W 5.2038 8.9835 127.6261 55.0194 31.6307 175.2901 30 V 5.3335 9.0541 117.1775 59.7156 35.9474 174.2221 31 E 5.1805 9.5244 120.0411 53.7972 33.3928 173.2582 32 P 4.8273 0.0000 0.0000 62.7023 32.5729 176.2893 33 V 3.9153 8.4575 123.2588 61.6233 32.5236 173.9219 34 P 4.3607 0.0000 0.0000 64.3387 31.5264 176.9024 35 G 4.0426 9.2075 111.2384 45.4705 0.0000 173.6415 36 L 4.6823 7.6637 119.3522 52.0413 42.3496 176.9267 37 E 3.8129 8.5450 122.0254 59.3354 29.7215 179.0528 38 G 3.8856 8.0107 103.4603 45.9319 0.0000 172.9755 39 Q 4.7677 7.9305 119.4006 54.3432 31.6641 174.9370 40 V 5.2069 8.1838 113.0182 60.0104 35.7291 174.8834 41 Q 4.7204 8.9537 119.6498 54.5167 32.2422 174.7663 42 G 4.5631 8.0155 108.1438 46.3868 0.0000 171.9404 43 I 4.9966 7.9028 123.1338 59.2428 41.8025 175.2678 44 K 4.8769 8.9086 130.3716 54.0949 35.3818 174.3011 *46 E 4.4962 8.3809 119.1731 55.6825 31.2168 175.6320 47 E 4.4067 8.8294 122.7703 57.8654 30.1657 176.9115 48 G 3.9711 9.1889 113.6113 44.9617 0.0000 174.5277 49 G 3.1438 8.2310 107.4004 44.4535 0.0000 173.5148 50 V 4.2873 7.6317 119.7252 62.8190 32.2448 174.9587 51 A 5.4063 8.9524 128.6595 50.4530 22.8172 174.8854 52 S 5.1675 8.8406 112.9540 56.4256 66.9429 173.6965 53 S 4.9443 8.8509 117.3240 58.6127 64.0814 173.9853 54 V 4.0187 8.8498 123.9117 61.8018 32.9535 173.2526 55 N 4.4819 8.7079 127.0702 53.7890 35.0753 173.6286 *57 A 4.4375 7.9974 122.6774 52.4202 21.1024 178.7281 58 T 4.2938 7.7779 111.6459 65.7269 69.8139 174.2026 59 L 4.4546 7.8322 124.4231 54.0102 42.7478 176.4568 60 V 4.2885 8.8017 128.7214 61.2357 33.2886 174.4382 61 Y 4.8147 8.8619 126.4429 58.2127 38.9448 176.4668 62 E 4.7914 9.8766 119.3218 56.2422 33.6300 175.7272 63 S 5.3739 7.9085 112.5258 57.0431 66.8176 173.4366 64 W 5.8113 8.6333 117.2829 55.2524 31.5697 174.3643 65 K 4.1404 8.9326 120.5064 55.5728 35.6210 174.2067 66 Q 5.0899 8.7885 126.1645 54.9508 30.4478 175.1946 67 E 4.5877 8.7988 122.4479 55.5684 34.1622 175.0957 68 G 4.1346 8.5276 112.8534 47.5467 0.0000 174.0176 69 T 4.4679 8.4319 114.0806 61.1095 69.2341 174.3548 70 K 4.7966 8.2433 121.9915 55.1335 34.1313 174.7132 71 L 5.2382 8.2013 121.6668 53.5145 45.1608 174.8218 72 I 4.9755 9.1512 127.7644 59.8240 39.3041 174.5101 73 L 5.4872 9.3270 128.1104 53.1099 44.4538 175.8092 74 T 4.8189 8.6950 113.7103 59.9388 71.9929 174.3515 75 G 3.5532 6.3413 108.9009 45.8532 0.0000 171.9540 76 K 4.9967 8.1317 119.4485 54.7744 37.1234 175.4404 77 S 5.2619 9.2781 118.5636 56.8280 64.2600 172.7966 78 I 5.0057 8.5578 128.0497 59.5074 40.6323 175.1580 79 G 3.8092 9.2393 113.7098 46.1736 0.0000 172.1898 80 N 4.2427 9.6961 116.4277 54.5235 37.2259 174.7782 81 G 3.9614 8.5494 100.6937 45.7838 0.0000 173.6833 82 Q 4.6238 7.9615 118.8642 54.1340 32.3270 173.7908 83 T 5.2135 8.3513 118.0873 61.8255 72.1271 173.3470 84 I 4.6060 8.7680 126.2998 59.3793 40.4674 174.9794 85 E 4.7161 8.9609 127.0376 56.3035 30.4778 176.1700 86 F 5.1131 8.6904 117.0384 55.2530 42.1521 173.9242 87 V 4.6279 8.6024 118.9575 61.7006 33.8976 173.9887 88 D 5.1790 9.9148 128.7197 53.0410 43.2647 175.9982 89 T 5.2982 8.2687 117.6777 60.8918 72.3451 173.0850 *91 D 4.3935 8.3566 121.4181 54.4184 42.7890 174.9777 92 I 4.3410 8.5267 126.6038 61.1390 36.9495 176.5780 93 K 4.2718 9.0952 132.5198 57.4257 32.6249 174.1476 94 R 4.5870 7.5884 118.1920 55.2209 33.7493 174.1702 95 L 4.8109 8.4334 128.1144 54.4797 43.3517 174.1510 96 T 4.8042 8.9230 118.1623 59.5030 71.6785 174.4035 97 A 4.3048 8.7547 122.7732 54.8271 18.5953 178.0281 98 D 5.0026 7.8842 113.8258 54.1425 43.1448 175.7102 99 S 5.4843 8.4281 114.8652 56.7303 67.9154 172.9732 100 L 4.6876 8.7219 124.2219 53.3175 45.0289 175.0828 101 V 4.7025 8.6507 127.2212 61.1709 33.6740 174.1433 102 L 5.1017 8.6428 128.0675 52.9440 44.5951 175.1326 103 D 4.8606 8.9814 123.0278 52.8336 42.9353 175.4833 104 N 4.5515 8.8639 126.1059 52.6721 38.4694 173.8897 105 Q 3.1439 9.5613 129.7671 56.7024 28.0747 174.4077 106 G 3.7043 8.3936 103.2795 45.7940 0.0000 172.6010 *108 E 4.2863 7.4289 116.8653 55.9788 31.4204 175.4175 109 I 4.3842 8.5622 126.0737 59.0878 41.2310 173.9498 110 R 4.8411 8.3605 127.7023 54.7210 32.0724 174.8219 111 Y 5.3330 9.1055 121.7845 56.2013 41.6174 174.5812 112 A 5.4099 9.1319 123.3582 50.0549 22.3041 175.4664 113 K 3.9118 8.7232 123.4837 55.7029 32.9512 176.5525 114 Q 4.0880 8.5910 130.3210 55.9389 29.2021 177.2190 115 K 4.0680 8.4893 124.8629 54.7650 31.8343 173.1808 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 8.21 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 0.00 0.00 0.00 *23 A 8.15 4.26 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 24 S 8.44 4.51 0.00 3.89 3.80 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 25 I 8.17 4.09 1.75 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 0.93 0.59 0.35 0.00 0.00 26 V 7.79 3.45 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 0.82 0.00 0.00 1.06 0.00 0.00 27 G 7.59 3.58 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 0.00 0.00 0.00 28 S 7.40 4.93 0.00 3.75 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.98 5.20 0.00 2.80 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 30 V 9.05 5.33 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 0.82 0.00 0.00 1.03 0.00 0.00 31 E 9.52 5.18 0.00 1.96 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.35 0.00 32 P 0.00 4.83 0.00 1.97 2.05 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 33 V 8.46 3.92 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 0.95 0.00 0.00 0.95 0.00 0.00 34 P 0.00 4.36 0.00 2.08 2.00 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 35 G 9.21 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 0.00 0.00 0.00 36 L 7.66 4.68 0.00 1.67 1.71 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.55 3.81 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 2.33 2.37 0.00 38 G 8.01 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 39 Q 7.93 4.77 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 40 V 8.18 5.21 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 0.77 0.00 0.00 0.95 0.00 0.00 41 Q 8.95 4.72 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 42 G 8.02 4.56 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 0.00 0.00 0.00 43 I 7.90 5.00 1.60 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.62 0.48 0.00 0.00 44 K 8.91 4.88 0.00 1.79 1.67 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.17 7.81 *46 E 8.38 4.50 0.00 2.15 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 0.00 2.34 2.51 0.00 47 E 8.83 4.41 0.00 2.28 1.94 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 2.29 1.88 0.00 48 G 9.19 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 0.00 0.00 0.00 49 G 8.23 3.14 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 0.00 50 V 7.63 4.29 2.17 0.00 0.00 0.00 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 0.96 0.00 0.00 51 A 8.95 5.41 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 52 S 8.84 5.17 0.00 3.92 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 53 S 8.85 4.94 0.00 3.87 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 54 V 8.85 4.02 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 0.98 0.00 0.00 0.92 0.00 0.00 55 N 8.71 4.48 0.00 3.04 2.88 0.00 0.00 7.09 7.35 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 *57 A 8.00 4.44 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 58 T 7.78 4.29 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 1.23 0.00 0.00 59 L 7.83 4.45 0.00 1.52 1.52 0.45 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.80 4.29 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 0.98 0.00 0.00 1.01 0.00 0.00 61 Y 8.86 4.81 0.00 3.07 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 62 E 9.88 4.79 0.00 1.92 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 2.22 2.04 0.00 63 S 7.91 5.37 0.00 4.08 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 64 W 8.63 5.81 0.00 3.39 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 65 K 8.93 4.14 0.00 1.64 1.58 0.00 1.50 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.23 7.81 66 Q 8.79 5.09 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.48 0.00 0.00 0.00 0.00 0.00 2.45 2.77 0.00 67 E 8.80 4.59 0.00 1.99 1.79 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 2.21 2.24 0.00 68 G 8.53 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.43 4.47 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 70 K 8.24 4.80 0.00 1.99 1.76 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.35 7.81 71 L 8.20 5.24 0.00 1.73 1.49 1.12 0.80 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 72 I 9.15 4.98 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 1.40 0.76 0.97 0.00 0.00 73 L 9.33 5.49 0.00 1.86 1.90 0.76 0.41 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 74 T 8.69 4.82 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 1.22 0.00 0.00 75 G 6.34 3.55 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 0.00 0.00 0.00 76 K 8.13 5.00 0.00 1.61 1.65 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.29 7.81 77 S 9.28 5.26 0.00 3.94 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 78 I 8.56 5.01 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 1.18 0.78 0.92 0.00 0.00 79 G 9.24 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 0.00 0.00 0.00 80 N 9.70 4.24 0.00 2.83 2.88 0.00 0.00 7.02 7.98 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 81 G 8.55 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 82 Q 7.96 4.62 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 83 T 8.35 5.21 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 1.21 0.00 0.00 84 I 8.77 4.61 1.93 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 0.89 0.96 0.00 0.00 85 E 8.96 4.72 0.00 1.85 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 2.30 2.23 0.00 86 F 8.69 5.11 0.00 3.05 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 87 V 8.60 4.63 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 0.90 0.00 0.00 0.94 0.00 0.00 88 D 9.91 5.18 0.00 2.81 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 89 T 8.27 5.30 4.28 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 1.24 0.00 0.00 *91 D 8.36 4.39 0.00 2.61 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 92 I 8.53 4.34 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.47 0.85 0.00 0.00 93 K 9.10 4.27 0.00 1.49 1.72 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.25 7.81 94 R 7.59 4.59 0.00 1.81 1.68 0.00 3.11 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 95 L 8.43 4.81 0.00 1.50 1.46 0.84 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.92 4.80 4.29 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 1.23 0.00 0.00 97 A 8.75 4.30 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 98 D 7.88 5.00 0.00 2.92 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 99 S 8.43 5.48 0.00 3.80 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 0.00 100 L 8.72 4.69 0.00 0.27 0.59 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.65 4.70 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 0.83 0.00 0.00 0.89 0.00 0.00 102 L 8.64 5.10 0.00 1.56 1.49 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.98 4.86 0.00 2.58 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.86 4.55 0.00 2.68 2.71 0.00 0.00 7.33 7.08 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 0.00 105 Q 9.56 3.14 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.92 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 106 G 8.39 3.70 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 0.00 0.00 0.00 *108 E 7.43 4.29 0.00 1.97 1.85 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 2.11 2.38 0.00 109 I 8.56 4.38 1.69 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.37 0.75 0.00 0.00 110 R 8.36 4.84 0.00 1.62 1.78 0.00 3.18 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 111 Y 9.11 5.33 0.00 2.95 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 0.00 112 A 9.13 5.41 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 0.00 113 K 8.72 3.91 0.00 0.79 1.36 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.76 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.98 0.77 7.81 114 Q 8.59 4.09 0.00 1.79 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 115 K 8.49 4.07 0.00 1.77 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.