NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6989 8.4244 117.7879 52.3609 38.9224 174.3127 4 E 4.1353 9.3004 116.1480 55.3595 30.4852 173.3876 5 T 4.4172 8.3588 108.4813 60.3514 71.9796 173.4427 6 I 4.1767 7.7332 121.6144 59.1070 39.0537 176.3382 7 N 4.5849 8.7338 125.1449 52.7726 37.9190 175.3455 8 L 3.6125 7.8528 124.3038 57.1716 42.0395 178.6252 9 K 3.8401 8.1607 117.9046 59.9878 32.0363 179.1971 10 Q 3.9786 8.2307 116.2847 59.7509 28.2058 177.9432 11 H 4.1737 8.7479 118.4993 58.4530 28.6142 177.8096 12 L 3.8999 8.3521 120.7268 57.9160 41.3729 179.2079 13 A 3.6029 8.0630 119.4756 55.5021 18.2563 179.2129 14 A 4.1945 7.5867 116.9758 52.8904 18.4949 177.0540 15 I 4.1216 7.8818 118.6574 59.5551 38.4444 174.7739 16 K 4.3494 8.5480 127.9493 55.9261 32.4604 174.7550 17 E 4.7324 7.7826 115.7429 54.6095 32.2083 174.9638 18 Y 4.4907 8.5366 115.8812 58.3520 40.3974 176.5579 19 W 4.8018 8.1499 117.8342 56.5750 29.7900 176.9065 20 Q 4.7276 7.5763 117.0318 52.7119 28.8937 174.0890 21 P 4.5591 0.0000 0.0000 62.7782 32.3591 175.7946 22 E 4.4833 9.4946 124.8821 55.3132 31.4312 174.6469 23 I 5.0105 8.2895 126.2238 59.5823 39.8903 174.7765 24 I 4.6334 9.2859 128.0506 59.5896 40.1447 174.2551 25 N 5.4967 8.7809 123.1251 52.0530 40.6502 175.5200 26 R 4.4130 9.0868 122.2808 55.9919 33.4561 174.6863 27 H 3.9609 8.6055 124.7970 57.1625 27.8108 176.6884 28 G 3.7982 8.3490 106.7726 46.6723 0.0000 172.4409 29 F 5.3072 8.0019 116.9914 55.4629 44.2073 174.2543 30 Q 5.1605 9.0956 123.8184 54.3274 31.7355 173.9924 31 F 5.3738 9.8071 125.4222 56.0762 42.1806 173.8027 32 H 5.2902 9.1954 120.7835 54.1118 31.1332 173.5514 33 L 5.1940 9.3126 124.0889 52.9911 44.4355 175.8282 34 V 4.6585 8.2886 122.3237 61.5215 35.5776 172.9768 35 K 4.8790 8.3183 123.4642 54.4461 34.9956 175.4680 36 L 3.8064 8.8242 123.5172 52.6346 44.7582 175.3381 37 L 4.8150 8.5747 123.4844 53.8127 45.3272 177.3454 38 G 3.7830 8.8364 114.1020 46.4087 0.0000 173.0608 39 D 5.0349 8.1266 123.7990 52.7791 41.9765 174.1246 40 Y 3.9860 7.7260 114.1881 57.4422 39.2852 177.6635 41 G 3.7035 7.7463 108.9012 44.6561 0.0000 173.3510 42 W 4.6595 8.5249 119.0574 56.1668 30.7044 175.6091 43 H 5.1893 9.5721 119.9209 53.4197 32.8119 174.1081 44 T 5.0060 8.6051 113.5836 61.7657 70.2104 175.3722 *47 Y 4.6806 8.5739 118.2864 55.7806 37.9970 176.1293 48 S 4.6975 8.3825 114.4604 58.8431 65.5125 172.5029 49 D 4.8015 8.5942 119.7964 54.0728 41.8464 176.3615 50 K 4.9098 8.6847 119.0167 54.8212 36.3629 175.6539 51 V 4.7617 8.4021 123.5891 61.3802 34.0244 174.3885 52 L 5.3866 8.7881 125.7863 52.9423 45.0179 175.7937 53 F 5.1702 9.2719 125.1143 56.6102 42.8517 173.6859 54 A 4.5211 8.5646 128.9124 50.6161 17.8919 177.7026 55 V 2.7380 7.6667 120.2970 65.5824 32.2211 175.5302 56 E 4.6915 7.9703 120.6748 55.5755 33.2217 175.6835 57 G 4.1746 9.3408 112.9167 46.2165 0.0000 171.9553 58 D 4.7132 8.0611 118.3371 52.3787 43.2502 175.2783 *60 A 4.2006 7.9573 120.6330 52.2783 20.5134 175.9526 61 V 4.3855 7.7589 117.2588 61.3067 34.7750 174.0979 62 D 4.7367 8.4054 128.3349 54.2614 42.0613 175.9098 63 F 5.6701 9.7403 121.4560 55.6440 41.7986 176.9046 64 A 3.8926 8.8833 123.0215 54.6773 18.2517 178.3641 65 D 4.7053 8.3047 113.8504 53.2129 39.8512 175.9505 66 G 4.2041 8.6012 109.3944 45.9963 0.0000 175.1672 67 G 3.9013 8.5472 108.1872 46.0048 0.0000 172.5369 68 S 4.9984 7.9910 113.3796 55.9571 65.6846 172.6535 *70 T 4.0238 8.2385 115.8357 63.5460 69.0298 173.6414 71 I 4.3473 8.2954 126.7616 59.7139 38.4125 175.3394 72 R 4.3675 8.9825 125.2607 54.2998 31.5074 175.6942 73 E 3.8461 8.6735 120.6668 58.8908 29.1083 177.2086 74 G 4.2901 8.8637 114.7278 45.4950 0.0000 172.5597 75 E 4.8076 8.0791 120.1697 54.5134 32.4188 174.1124 *77 A 4.5150 8.1764 120.9064 52.7265 20.7048 176.1317 78 V 4.7723 8.1916 117.0467 60.1579 34.4953 175.4961 79 V 4.4597 8.8292 125.4880 60.5038 32.5566 173.3318 80 P 4.9185 0.0000 0.0000 62.8779 32.1701 177.1176 81 K 4.0994 9.3408 125.0791 56.1075 32.5615 177.3928 82 S 3.8221 8.8008 114.4519 60.0456 59.8444 171.8812 83 V 4.3976 7.8424 118.8653 60.8696 33.3364 174.4291 84 S 4.8622 8.8104 123.1868 58.7401 63.6059 172.4111 85 H 5.1252 9.8590 121.6766 54.5086 32.8906 172.3902 86 R 4.6150 8.4309 120.1012 53.3695 31.1300 172.6492 87 P 4.7720 0.0000 0.0000 62.7277 32.3586 175.5919 88 R 4.7909 8.0231 119.5856 56.4813 34.0870 173.8568 89 S 4.4167 8.5547 118.4788 57.2942 65.3484 174.3202 90 E 3.8861 9.2543 128.7256 59.2016 29.6049 177.2669 91 N 4.8482 8.3493 112.0024 52.6784 39.6903 174.9358 92 G 4.4989 9.2126 106.9836 45.9071 0.0000 172.6771 93 C 4.8520 8.3166 121.9193 57.8075 35.5131 172.4120 94 S 5.0301 9.1215 122.7190 57.2473 64.3711 173.0332 95 L 5.0162 8.3773 125.2698 53.4328 45.9015 174.6592 96 V 4.6166 8.5303 125.9966 61.6099 33.4137 174.5338 97 L 5.1866 8.9344 128.1493 53.6386 44.1693 175.6178 98 I 5.0874 8.5794 122.3481 59.5626 41.0824 174.3578 99 E 4.9979 8.6248 122.3395 54.3192 33.4958 174.3655 100 L 4.7047 8.6389 125.1168 55.4245 43.4310 177.6871 101 S 4.3477 8.1199 116.4419 58.0746 63.1491 172.8568 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 3 N 8.42 4.70 0.00 2.76 2.53 0.00 0.00 6.66 6.77 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 4 E 9.30 4.14 0.00 2.01 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 2.31 2.37 0.00 5 T 8.36 4.42 4.19 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 1.19 0.00 0.00 6 I 7.73 4.18 1.59 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 1.02 0.35 0.57 0.00 0.00 7 N 8.73 4.58 0.00 2.74 2.73 0.00 0.00 7.13 6.66 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 8 L 7.85 3.61 0.00 1.79 1.63 0.87 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.16 3.84 0.00 1.89 1.86 0.00 1.66 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.46 7.81 10 Q 8.23 3.98 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.95 0.00 0.00 0.00 0.00 0.00 2.54 2.36 0.00 11 H 8.75 4.17 0.00 3.23 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.93 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 3.90 0.00 1.96 1.65 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.06 3.60 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 14 A 7.59 4.19 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 15 I 7.88 4.12 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.67 0.94 0.00 0.00 16 K 8.55 4.35 0.00 1.66 1.67 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.36 7.81 17 E 7.78 4.73 0.00 1.93 1.86 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 2.21 2.25 0.00 18 Y 8.54 4.49 0.00 3.14 3.26 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 19 W 8.15 4.80 0.00 2.93 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 20 Q 7.58 4.73 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 21 P 0.00 4.56 0.00 2.11 2.11 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 22 E 9.49 4.48 0.00 2.01 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 2.28 2.29 0.00 23 I 8.29 5.01 1.83 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 0.86 0.65 0.87 0.00 0.00 24 I 9.29 4.63 1.94 0.00 0.00 0.68 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 1.07 0.91 0.00 0.00 25 N 8.78 5.50 0.00 2.64 2.78 0.00 0.00 6.80 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 26 R 9.09 4.41 0.00 2.19 2.02 0.00 3.62 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 27 H 8.61 3.96 0.00 3.38 3.17 0.00 5.89 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 28 G 8.35 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 0.00 0.00 0.00 29 F 8.00 5.31 0.00 3.13 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 0.00 0.00 0.00 0.00 30 Q 9.10 5.16 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 31 F 9.81 5.37 0.00 2.87 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 32 H 9.20 5.29 0.00 3.11 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 9.31 5.19 0.00 1.51 1.52 0.91 0.02 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 34 V 8.29 4.66 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 0.80 0.00 0.00 0.90 0.00 0.00 35 K 8.32 4.88 0.00 1.18 1.39 0.00 1.37 0.00 0.00 1.47 0.00 0.00 2.58 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.15 1.22 7.81 36 L 8.82 3.81 0.00 1.41 1.24 -0.14 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.57 4.81 0.00 0.96 1.12 0.92 0.78 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 38 G 8.84 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 0.00 0.00 0.00 39 D 8.13 5.03 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.73 3.99 0.00 2.14 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.75 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 42 W 8.52 4.66 0.00 3.16 3.19 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 43 H 9.57 5.19 0.00 2.92 3.19 0.00 5.79 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.61 5.01 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 1.30 0.00 0.00 *47 Y 8.57 4.68 0.00 2.38 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 48 S 8.38 4.70 0.00 3.82 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 49 D 8.59 4.80 0.00 2.61 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 50 K 8.68 4.91 0.00 1.69 1.64 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.35 7.81 51 V 8.40 4.76 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 1.04 0.00 0.00 0.94 0.00 0.00 52 L 8.79 5.39 0.00 1.56 1.55 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 53 F 9.27 5.17 0.00 3.00 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 54 A 8.56 4.52 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 55 V 7.67 2.74 1.96 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 0.65 0.00 0.00 0.64 0.00 0.00 56 E 7.97 4.69 0.00 1.96 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 2.14 2.35 0.00 57 G 9.34 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.06 4.71 0.00 2.65 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 *60 A 7.96 4.20 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 61 V 7.76 4.39 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 0.40 0.00 0.00 0.85 0.00 0.00 62 D 8.41 4.74 0.00 2.11 2.50 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 63 F 9.74 5.67 0.00 3.03 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 64 A 8.88 3.89 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 65 D 8.30 4.71 0.00 2.80 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 66 G 8.60 4.20 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 0.00 67 G 8.55 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 68 S 7.99 5.00 0.00 3.95 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 *70 T 8.24 4.02 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 1.22 0.00 0.00 71 I 8.30 4.35 1.87 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 1.46 0.63 0.95 0.00 0.00 72 R 8.98 4.37 0.00 1.86 1.83 0.00 3.17 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 73 E 8.67 3.85 0.00 1.88 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 2.30 2.37 0.00 74 G 8.86 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 0.00 0.00 0.00 0.00 75 E 8.08 4.81 0.00 2.08 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 2.26 2.38 0.00 *77 A 8.18 4.52 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 78 V 8.19 4.77 2.11 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 0.76 0.00 0.00 0.96 0.00 0.00 79 V 8.83 4.46 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 0.85 0.00 0.00 0.95 0.00 0.00 80 P 0.00 4.92 0.00 2.15 2.05 0.00 3.97 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 81 K 9.34 4.10 0.00 1.51 1.65 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.30 7.81 82 S 8.80 3.82 0.00 4.06 4.06 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 83 V 7.84 4.40 2.45 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 1.21 0.00 0.00 1.00 0.00 0.00 84 S 8.81 4.86 0.00 4.06 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 85 H 9.86 5.13 0.00 2.82 3.19 0.00 5.26 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.43 4.61 0.00 0.67 0.66 0.00 2.78 0.00 0.00 2.57 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.20 0.00 87 P 0.00 4.77 0.00 2.22 2.05 0.00 4.05 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.92 0.00 88 R 8.02 4.79 0.00 1.74 1.74 0.00 3.40 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 89 S 8.55 4.42 0.00 3.87 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 90 E 9.25 3.89 0.00 1.94 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 2.29 2.39 0.00 91 N 8.35 4.85 0.00 2.71 2.77 0.00 0.00 7.19 7.65 0.00 0.00 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 G 9.21 4.50 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 0.00 0.00 0.00 93 C 8.32 4.85 0.00 3.07 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 94 S 9.12 5.03 0.00 3.65 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 5.02 0.00 1.60 1.31 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.53 4.62 2.30 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 1.22 0.00 0.00 1.03 0.00 0.00 97 L 8.93 5.19 0.00 1.69 1.54 0.91 0.77 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 98 I 8.58 5.09 1.79 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.00 0.48 0.00 0.00 99 E 8.62 5.00 0.00 1.99 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 0.00 2.16 2.24 0.00 100 L 8.64 4.70 0.00 1.52 1.55 0.66 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.12 4.35 0.00 3.62 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 * Residues marked with a * may have inaccurate shift predictions.