NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.0451 8.1227 123.5795 48.5163 20.3581 174.5604 2 K 3.6474 8.3652 130.5697 54.7030 31.1379 173.8082 3 Q 3.8735 8.5538 126.3393 58.9208 29.4744 178.5386 4 S 4.0319 8.1088 112.2900 62.0388 62.4912 175.7527 5 M 4.1574 8.1619 120.6013 58.5236 31.6637 178.6933 6 K 3.7641 7.4122 115.1292 59.7165 32.2583 178.8088 7 A 4.0055 7.9984 120.5847 56.0421 18.2198 178.9839 8 R 3.7439 8.3986 115.6552 59.7313 29.7700 178.9904 9 E 3.7603 7.6585 119.3581 59.5940 30.8145 179.2341 10 V 3.5203 7.9142 117.5255 66.6459 31.7192 178.3189 11 K 3.8519 8.2406 117.1373 59.8456 31.9314 179.3420 12 R 3.8606 8.5149 117.9203 59.3739 30.2795 178.9932 13 V 3.6723 7.7879 117.4322 65.9042 31.3897 177.7225 14 A 3.9918 8.0501 119.9601 55.5284 17.9967 179.0626 15 L 3.8815 7.8469 116.7137 58.2233 41.6946 179.4202 16 A 4.8323 7.7443 121.0630 54.8490 18.1035 178.9803 17 D 4.5674 7.7801 114.8263 55.9597 40.9399 177.6517 18 K 4.7190 8.4820 117.6048 54.7853 33.7375 175.3644 19 Y 4.5691 8.7555 114.3845 58.2796 38.9746 177.7161 20 F 3.8057 10.2635 125.5310 61.3131 40.1946 177.6622 21 A 4.0190 8.2944 121.9181 54.9497 18.0471 177.9335 22 K 4.7600 8.8131 110.6919 55.9393 34.2285 176.8443 23 R 4.3796 7.6511 116.3586 55.8509 31.5005 176.2265 24 A 3.7530 8.4827 121.3105 52.0999 18.6006 178.2600 25 E 4.2499 7.9066 118.2971 59.5173 30.2516 178.5834 26 L 3.8830 7.8866 120.8387 57.7162 41.0504 179.0553 27 K 3.8404 8.1577 114.6591 58.5649 31.5915 176.9870 28 A 4.3418 8.8953 123.5949 54.8336 20.7586 179.1635 29 I 4.5309 7.5641 119.0752 60.6976 35.5912 177.9668 30 I 3.6988 9.0035 132.3169 65.6711 36.6941 176.3132 31 S 4.8132 9.3875 114.1252 58.2230 61.7904 173.6009 32 D 4.3690 7.5267 123.1233 53.8250 47.3800 175.7660 33 V 4.5903 8.1420 126.1437 60.6505 32.9497 174.3472 34 N 4.6183 8.3536 131.4036 52.6588 45.2632 176.1391 35 A 3.7112 9.2391 119.5287 54.9323 18.3410 178.3806 *40 R 4.0361 7.5830 113.3921 56.2032 29.9185 173.8443 41 W 5.0567 8.1485 131.4502 55.1458 31.8843 173.9278 42 N 4.1159 8.7363 124.6998 56.8036 37.7934 175.7200 43 A 3.7521 7.1584 121.1763 55.1778 17.8392 179.6687 44 V 3.6680 7.8708 116.0856 66.0315 31.9239 178.0896 45 L 4.2023 7.7520 117.9071 56.7328 41.6039 179.1861 46 K 4.1896 8.0084 119.0128 58.8037 32.0299 179.4098 47 L 4.5442 7.5038 118.7588 55.4985 41.8527 177.7381 48 Q 4.3241 8.0412 116.9757 57.3538 29.7529 175.9536 49 T 3.9967 7.8901 115.8482 64.0621 68.5103 171.7921 50 L 4.5368 8.2247 129.3978 56.0288 46.1889 174.3348 51 P 3.9870 0.0000 0.0000 63.7877 31.5255 177.3984 52 R 3.8845 7.8174 115.9298 57.3144 30.3906 176.0669 53 D 4.3499 7.9742 118.6548 57.1773 42.0401 178.0981 54 S 4.1589 7.8966 112.5140 58.3714 61.8390 173.1378 55 S 3.8577 7.1807 114.0140 54.8019 65.3778 173.8129 56 P 4.3532 0.0000 0.0000 64.2421 32.2724 176.9735 57 S 3.7350 8.7566 115.8943 59.9352 60.4424 172.3771 58 R 4.5754 7.6977 115.6828 55.8142 30.7904 174.6152 59 Q 4.7384 7.9808 114.1175 53.9078 31.2486 175.1573 60 R 4.4309 8.9927 115.9574 55.7799 29.2293 179.4523 61 N 3.4250 8.6615 112.4493 50.5320 39.4779 171.2849 62 R 4.2409 8.2125 122.9293 55.0817 31.2569 176.2070 63 C 4.4305 8.4943 121.4315 59.5450 31.8381 173.6222 64 R 4.0035 7.9718 121.6454 59.6134 29.3662 178.6239 65 Q 4.0272 7.3229 118.0608 58.1415 29.3713 176.4480 66 T 4.0467 7.9337 107.5634 61.6941 69.8516 176.2631 67 G 3.8385 8.8032 113.1023 45.8928 0.0000 172.0762 68 R 3.7802 8.0998 121.9985 55.0817 29.4402 175.1392 69 P 4.0862 0.0000 0.0000 65.1048 31.3443 175.8691 70 H 4.8981 7.9199 114.4651 53.9094 31.5841 174.1289 71 G 3.9641 8.4899 107.3486 46.2451 0.0000 171.8959 72 F 5.4264 7.9950 123.5851 56.9310 43.2716 175.5761 73 L 4.1391 5.8931 119.1346 53.5491 42.5323 179.0288 74 R 3.2740 6.2797 118.7108 57.6848 32.5344 178.0145 75 K 3.5271 8.2456 113.3765 59.8768 31.3466 177.9309 76 F 4.3400 9.2080 114.3603 61.2085 39.7985 177.1519 77 G 4.2363 8.2393 107.2608 45.1411 0.0000 173.2785 78 L 4.7458 7.8307 119.5029 53.2919 43.9416 175.6543 79 S 5.0222 8.3470 114.8388 57.5358 65.2675 175.1340 80 R 3.9261 8.4249 123.5316 59.8359 29.7339 178.6857 81 I 3.6574 7.7417 112.2120 64.0728 37.7763 178.1721 82 K 4.0623 7.7110 120.2269 58.8779 31.9297 179.4198 83 V 3.7146 8.7384 119.7571 65.9328 31.4342 178.1082 84 R 3.8661 7.6636 118.1969 59.3888 29.9053 177.7462 85 E 3.8902 7.7577 117.6275 59.3257 29.6709 178.2781 86 A 4.2971 7.8946 119.5364 53.9867 19.1338 178.9316 87 A 3.8839 7.7637 119.2850 55.9390 18.3158 179.8984 88 M 3.9482 7.7491 114.5622 57.8449 31.9787 178.8971 89 R 4.2372 7.1640 117.7112 59.6199 30.6625 176.9494 90 G 3.9732 7.9538 105.8914 45.4233 0.0000 175.4610 91 E 3.8092 8.2448 120.1921 57.8686 29.6646 176.8033 92 I 4.2901 6.8724 119.7619 58.3057 38.8592 173.7518 93 P 4.2733 0.0000 0.0000 63.5336 31.9872 176.9293 94 G 4.0446 8.7701 107.5518 45.9138 0.0000 172.6912 95 L 4.7251 7.1544 120.7608 52.7278 44.0222 175.5919 96 K 4.3997 8.2440 122.9968 55.4357 35.0832 174.6662 97 K 3.8371 8.6553 118.1963 56.6038 31.5485 177.1729 98 A 4.3413 8.5386 126.7786 52.4026 19.1129 176.4663 99 S 4.5271 8.6548 109.8016 57.6680 65.2401 176.3375 100 W 4.5695 8.2002 123.6548 57.1693 27.2948 174.0595 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 A 8.12 4.05 1.24 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 0.00 0.00 2 K 8.37 3.65 0.00 2.02 1.78 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.51 7.81 3 Q 8.55 3.87 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 4 S 8.11 4.03 0.00 3.84 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 5 M 8.16 4.16 0.00 2.05 2.41 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 6 K 7.41 3.76 0.00 2.02 1.87 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.62 7.81 7 A 8.00 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 8 R 8.40 3.74 0.00 1.97 1.86 0.00 3.13 0.00 0.00 3.06 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 9 E 7.66 3.76 0.00 1.89 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 2.22 2.42 0.00 10 V 7.91 3.52 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 0.94 0.00 0.00 11 K 8.24 3.85 0.00 1.92 1.83 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.62 7.81 12 R 8.51 3.86 0.00 1.84 1.96 0.00 3.10 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 1.71 1.65 0.00 13 V 7.79 3.67 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 0.99 0.00 0.00 0.93 0.00 0.00 14 A 8.05 3.99 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 15 L 7.85 3.88 0.00 1.62 1.56 0.81 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.74 4.83 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 17 D 7.78 4.57 0.00 2.93 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 18 K 8.48 4.72 0.00 1.97 1.96 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.88 7.81 19 Y 8.76 4.57 0.00 3.09 2.93 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 20 F 10.26 3.81 0.00 3.12 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 21 A 8.29 4.02 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 22 K 8.81 4.76 0.00 1.66 1.76 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.38 7.81 23 R 7.65 4.38 0.00 1.78 1.79 0.00 2.61 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 24 A 8.48 3.75 1.20 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 0.00 0.00 0.00 0.00 0.00 25 E 7.91 4.25 0.00 2.03 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 2.17 2.32 0.00 26 L 7.89 3.88 0.00 1.82 1.96 0.91 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.16 3.84 0.00 1.84 1.69 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.19 1.52 7.81 28 A 8.90 4.34 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 29 I 7.56 4.53 1.90 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 1.28 0.72 0.89 0.00 0.00 30 I 9.00 3.70 1.91 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 1.26 1.39 0.94 0.00 0.00 31 S 9.39 4.81 0.00 3.94 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 32 D 7.53 4.37 0.00 2.69 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 33 V 8.14 4.59 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 0.83 0.00 0.00 0.96 0.00 0.00 34 N 8.35 4.62 0.00 2.71 1.94 0.00 0.00 7.19 7.96 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 35 A 9.24 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 R 7.58 4.04 0.00 1.98 1.89 0.00 3.21 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 41 W 8.15 5.06 0.00 3.35 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 42 N 8.74 4.12 0.00 2.68 2.50 0.00 0.00 6.94 8.01 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 43 A 7.16 3.75 0.79 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 0.00 0.00 44 V 7.87 3.67 2.31 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 0.92 0.00 0.00 1.28 0.00 0.00 45 L 7.75 4.20 0.00 1.79 1.72 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.01 4.19 0.00 1.90 1.79 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.54 7.81 47 L 7.50 4.54 0.00 1.61 1.67 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.04 4.32 0.00 2.19 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.80 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 49 T 7.89 4.00 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 1.24 0.00 0.00 50 L 8.22 4.54 0.00 1.78 1.78 1.12 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 3.99 0.00 2.23 2.45 0.00 4.06 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 52 R 7.82 3.88 0.00 1.88 1.78 0.00 3.28 0.00 0.00 3.22 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 53 D 7.97 4.35 0.00 2.65 2.60 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 54 S 7.90 4.16 0.00 3.54 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 55 S 7.18 3.86 0.00 3.71 3.27 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 0.00 56 P 0.00 4.35 0.00 2.19 2.19 0.00 3.36 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 57 S 8.76 3.74 0.00 3.97 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 58 R 7.70 4.58 0.00 1.79 1.74 0.00 3.15 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 59 Q 7.98 4.74 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.26 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 60 R 8.99 4.43 0.00 1.74 1.89 0.00 3.13 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.43 0.00 61 N 8.66 3.43 0.00 1.93 2.49 0.00 0.00 6.34 7.66 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 62 R 8.21 4.24 0.00 1.76 1.95 0.00 3.07 0.00 0.00 3.06 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.39 0.00 63 C 8.49 4.43 0.00 3.08 3.02 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 64 R 7.97 4.00 0.00 1.84 1.98 0.00 3.47 0.00 0.00 3.28 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 65 Q 7.32 4.03 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 66 T 7.93 4.05 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 67 G 8.80 3.84 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 0.00 0.00 0.00 68 R 8.10 3.78 0.00 1.86 1.92 0.00 3.14 0.00 0.00 3.38 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 69 P 0.00 4.09 0.00 2.02 2.07 0.00 3.75 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 1.86 1.91 0.00 70 H 7.92 4.90 0.00 3.17 3.26 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.49 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 72 F 8.00 5.43 0.00 2.88 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 73 L 5.89 4.14 0.00 1.31 1.00 0.68 0.84 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 74 R 6.28 3.27 0.00 1.68 1.90 0.00 3.48 0.00 0.00 3.31 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 75 K 8.25 3.53 0.00 1.55 1.28 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.74 1.58 7.81 76 F 9.21 4.34 0.00 2.91 3.02 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 77 G 8.24 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 0.00 0.00 0.00 78 L 7.83 4.75 0.00 1.89 1.77 0.99 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 79 S 8.35 5.02 0.00 4.18 4.09 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 80 R 8.42 3.93 0.00 1.95 2.03 0.00 3.11 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 81 I 7.74 3.66 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 1.67 0.52 0.94 0.00 0.00 82 K 7.71 4.06 0.00 1.69 1.94 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.62 7.81 83 V 8.74 3.71 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 1.33 0.00 0.00 1.13 0.00 0.00 84 R 7.66 3.87 0.00 1.81 2.10 0.00 3.21 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 85 E 7.76 3.89 0.00 1.98 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 2.34 2.37 0.00 86 A 7.89 4.30 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 87 A 7.76 3.88 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 88 M 7.75 3.95 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.74 0.00 89 R 7.16 4.24 0.00 2.02 1.97 0.00 3.14 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 1.64 1.88 0.00 90 G 7.95 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 91 E 8.24 3.81 0.00 1.92 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 2.37 2.26 0.00 92 I 6.87 4.29 1.62 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.30 0.32 0.00 0.00 93 P 0.00 4.27 0.00 2.18 2.13 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 94 G 8.77 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 95 L 7.15 4.73 0.00 1.48 1.55 1.20 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.24 4.40 0.00 1.88 1.75 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.49 7.81 97 K 8.66 3.84 0.00 1.80 1.89 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.42 7.81 98 A 8.54 4.34 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 4.53 0.00 3.80 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 0.00 100 W 8.20 4.57 0.00 3.40 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 * Residues marked with a * may have inaccurate shift predictions.