NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3608 8.2601 123.5922 51.8818 20.0901 176.2931 3 A 3.8986 8.2458 119.2228 52.4101 19.7962 172.0393 4 V 4.8127 7.6250 116.0422 61.2790 34.9015 172.8547 5 T 4.8877 9.1274 118.5069 59.9841 71.6000 172.9545 6 Q 5.3384 8.8026 122.4692 54.4477 31.9031 175.0822 7 S 4.9003 9.0021 117.7548 56.0917 67.3363 172.5190 8 P 4.8223 0.0000 0.0000 62.2628 32.5664 176.4925 9 R 4.2397 8.4808 117.0473 58.7257 30.9926 176.6773 10 N 5.5235 7.9819 113.4083 51.5192 43.0731 174.2344 11 K 4.6883 9.0511 122.2782 55.0845 36.2181 174.8331 12 V 5.0371 8.5363 126.4890 59.9300 33.4821 174.6153 13 A 4.9365 8.9953 125.6500 50.0647 23.0486 174.4967 14 V 4.6679 8.2260 118.0414 60.9353 34.2720 175.4394 15 T 4.0281 8.9448 123.6461 65.8414 68.6996 174.4642 16 G 4.1041 9.0584 115.3671 44.3228 0.0000 173.3883 17 E 4.0965 8.2073 121.9538 55.8748 30.9197 175.5902 18 K 4.6134 8.5270 128.0804 55.9429 33.2231 175.8081 19 V 4.4311 8.7027 127.5122 61.2712 34.5747 174.1148 20 T 4.9060 8.4095 123.2470 61.7662 70.9323 173.1992 21 L 4.6902 8.8643 126.7452 52.9786 44.5093 175.5620 22 S 5.1920 9.2540 116.8305 56.7985 66.3654 171.8934 23 C 5.4702 9.1846 124.5211 55.1160 45.3458 172.3202 24 Q 5.3185 9.5760 127.5530 54.2514 31.8311 173.9075 25 Q 5.1464 9.1277 123.8930 54.2896 31.3405 175.0440 26 T 4.5848 8.6660 110.2420 61.8494 69.7619 175.2055 27 N 4.3393 8.3938 119.1070 53.5169 39.0963 174.7319 28 N 4.3360 7.9984 114.9308 54.7719 37.2962 173.1717 29 H 4.8501 8.1683 112.6014 54.4939 29.9241 175.7550 30 N 4.4666 8.7822 120.5271 55.8355 39.0654 175.3860 31 N 5.4501 7.4949 114.5600 51.7230 40.7109 174.6232 32 M 5.0362 7.4338 119.9816 54.0503 37.0447 173.5535 33 Y 5.2950 9.0227 117.4971 56.3611 43.2602 174.1041 34 W 5.3858 9.3357 121.9914 55.3333 32.2696 174.3936 35 Y 5.4857 9.8284 121.7998 56.1844 41.9214 174.5996 36 R 5.0198 8.8440 117.1766 54.4842 32.7770 174.2080 37 Q 5.1620 9.0842 122.2279 54.6423 31.6026 174.2975 38 D 5.0586 8.7201 124.6172 52.2839 45.0455 175.1857 39 T 4.0982 8.4227 118.7785 65.4763 68.9347 173.4779 40 G 4.1191 9.0983 113.5930 45.5382 0.0000 173.8749 41 H 4.5882 8.0694 115.0315 55.1566 30.8719 176.7374 42 G 3.7893 8.0160 106.6995 45.2474 0.0000 171.7825 43 L 4.9970 8.2643 122.2637 53.3949 43.0836 175.7540 44 R 4.8714 8.7579 123.0131 54.2131 33.2977 175.0293 45 L 4.0714 8.5348 125.0582 55.1503 43.1144 176.3980 46 I 4.0210 9.2601 128.0526 63.3128 38.2361 175.2839 47 H 5.5960 7.9881 117.0697 54.8547 33.8800 171.3750 48 Y 5.3849 8.7583 117.7747 56.5257 42.1740 173.3874 49 S 4.4815 8.0658 111.5910 57.7048 65.6665 174.7678 50 Y 4.5133 9.5718 123.6709 57.4743 38.5820 175.6594 51 G 3.9127 7.1050 109.7906 44.6841 0.0000 171.7440 52 A 4.1870 8.2358 122.3259 53.9630 18.4210 178.2343 53 G 3.9716 9.2312 112.2122 44.9159 0.0000 172.8395 54 N 4.9339 7.7844 118.1956 51.9576 40.5698 173.7854 55 T 4.8164 8.0458 113.6423 60.1385 72.3042 172.7545 56 E 4.5936 8.6575 121.8553 54.2768 33.7411 175.2654 57 K 4.3812 8.7102 122.5256 56.0368 32.7456 177.5707 58 G 4.2942 8.6726 114.9449 47.0270 0.0000 175.1233 59 D 4.8070 9.1669 122.2688 55.1580 41.1726 177.0598 60 I 4.8712 7.1273 110.6909 59.1851 36.1358 174.8830 61 P 4.3578 0.0000 0.0000 65.2111 32.6470 178.4756 62 D 4.3718 7.4868 122.4844 55.6369 41.2556 176.1531 63 G 3.7120 8.8982 112.0057 45.6135 0.0000 172.6523 *65 Y 5.1812 7.3841 115.3842 58.1001 39.1891 174.3559 66 E 4.8797 9.1704 121.2683 54.5376 33.7478 174.6308 67 A 5.1376 8.2037 121.7162 50.3862 22.9051 175.5228 68 S 4.6129 9.0122 112.9162 56.9908 66.9944 173.2706 69 R 5.2108 8.6173 123.2941 53.8173 29.4597 173.9715 70 P 4.3082 0.0000 0.0000 64.6734 32.2701 176.7360 71 S 4.5874 7.5424 111.9816 57.1143 65.8127 174.2791 72 H 4.1672 8.8296 119.7316 59.2787 29.6530 175.9324 73 E 4.2114 7.9449 116.4609 57.4463 29.8137 175.5812 74 Q 5.1491 7.6179 118.7135 54.0694 31.7908 174.2965 75 F 5.4832 9.4204 128.0626 56.8316 42.5934 173.3992 76 S 5.1323 9.5904 122.5080 56.6789 65.9387 172.7218 77 L 4.4461 8.1121 125.4874 53.0127 44.2916 174.8861 78 I 4.6530 8.5632 127.1412 59.4666 40.0707 174.5323 79 L 4.4770 8.7722 128.2999 53.4746 42.0184 178.0112 80 V 3.5266 8.3218 118.7703 64.2238 32.5198 176.7339 81 S 4.4428 7.8195 115.2210 56.8294 64.2711 173.0719 82 A 4.7830 9.2560 129.8918 52.0049 19.3486 176.2247 83 T 4.8241 8.4228 110.2395 59.0736 72.2790 173.2606 84 P 4.3194 0.0000 0.0000 65.7023 31.5336 178.5299 85 S 4.3494 7.9536 110.8049 60.1765 63.5383 174.7302 86 Q 4.4021 8.4167 120.3939 56.7566 28.8784 175.5840 87 S 4.7046 7.8795 115.9956 59.3237 63.3554 173.6746 88 S 4.4419 8.5243 118.0322 58.1767 67.1492 173.9311 89 V 4.6624 7.4097 120.8487 61.4299 33.0847 174.0867 90 Y 5.2058 8.8550 126.0291 56.5776 40.3860 174.7735 91 F 5.3748 9.8301 122.0367 56.0662 42.8336 173.3011 92 C 4.5544 9.8102 124.4003 55.4323 46.0063 172.1113 93 A 5.3109 9.0735 125.5174 50.3933 22.7856 175.0117 94 S 5.2061 8.8142 113.6778 57.0058 66.4752 173.2649 95 G 4.5272 8.5999 106.2583 44.6370 0.0000 172.5054 96 V 4.6678 7.7912 120.0919 61.5759 35.5987 176.0669 97 G 3.7391 8.4930 113.8739 47.3518 0.0000 174.6114 98 G 3.9027 8.6792 113.4316 45.7901 0.0000 172.9022 99 T 4.2983 8.0751 118.4649 63.0014 69.7722 173.7717 100 L 4.8628 8.4311 124.9898 52.9945 45.3318 175.4080 101 Y 4.2215 8.8709 124.8791 55.7811 40.8444 174.1128 *108 F 4.9628 8.5697 124.5520 57.1703 40.4977 175.5407 109 G 4.2124 9.1428 109.8991 45.2299 0.0000 173.4015 110 A 4.4674 8.7865 121.2808 52.5520 19.0590 178.5515 111 G 3.4304 8.6897 102.0423 45.0685 0.0000 173.1975 112 T 4.7898 8.5384 116.9405 61.4611 71.8579 173.5297 113 R 4.6048 8.6467 126.7193 55.6719 31.7563 175.4628 114 L 5.2837 9.2323 126.2763 53.2327 45.4321 174.8576 115 S 4.9900 9.0126 120.2539 56.4932 65.3618 172.3852 116 V 4.6962 8.7218 127.5551 61.1760 33.2714 175.4415 117 L 4.4008 8.8784 126.9483 54.8595 41.8783 176.3653 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 2 A 8.26 4.36 1.45 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 3 A 8.25 3.90 0.56 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 4 V 7.62 4.81 2.27 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 1.06 0.00 0.00 0.88 0.00 0.00 5 T 9.13 4.89 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 1.23 0.00 0.00 6 Q 8.80 5.34 0.00 2.05 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 7 S 9.00 4.90 0.00 3.77 3.72 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 8 P 0.00 4.82 0.00 2.40 2.08 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 9 R 8.48 4.24 0.00 1.78 2.03 0.00 3.25 0.00 0.00 3.51 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 10 N 7.98 5.52 0.00 2.55 2.67 0.00 0.00 6.60 7.61 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 11 K 9.05 4.69 0.00 1.81 1.57 0.00 1.45 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.40 7.81 12 V 8.54 5.04 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 0.78 0.00 0.00 0.93 0.00 0.00 13 A 9.00 4.94 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 14 V 8.23 4.67 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 1.09 0.00 0.00 0.92 0.00 0.00 15 T 8.94 4.03 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 1.24 0.00 0.00 16 G 9.06 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 17 E 8.21 4.10 0.00 2.10 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 2.26 2.23 0.00 18 K 8.53 4.61 0.00 1.76 1.65 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.47 7.81 19 V 8.70 4.43 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 0.73 0.00 0.00 0.86 0.00 0.00 20 T 8.41 4.91 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 1.14 0.00 0.00 21 L 8.86 4.69 0.00 0.76 1.31 0.20 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.25 5.19 0.00 3.88 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 23 C 9.18 5.47 0.00 2.77 3.07 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 0.00 0.00 0.00 0.00 24 Q 9.58 5.32 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.49 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 25 Q 9.13 5.15 0.00 1.89 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 26 T 8.67 4.58 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 1.17 0.00 0.00 27 N 8.39 4.34 0.00 2.55 2.30 0.00 0.00 7.03 8.00 0.00 0.00 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 N 8.00 4.34 0.00 2.80 2.89 0.00 0.00 7.02 7.89 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 29 H 8.17 4.85 0.00 3.27 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.78 4.47 0.00 2.72 3.08 0.00 0.00 6.95 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 7.49 5.45 0.00 2.93 2.27 0.00 0.00 6.43 7.54 0.00 0.00 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 M 7.43 5.04 0.00 1.77 1.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 33 Y 9.02 5.30 0.00 2.98 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 34 W 9.34 5.39 0.00 3.20 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 35 Y 9.83 5.49 0.00 3.37 2.98 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 36 R 8.84 5.02 0.00 1.45 1.50 0.00 2.79 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 37 Q 9.08 5.16 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 38 D 8.72 5.06 0.00 2.77 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.42 4.10 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 1.20 0.00 0.00 40 G 9.10 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.07 4.59 0.00 3.32 3.35 0.00 5.70 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 42 G 8.02 3.79 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 0.00 43 L 8.26 5.00 0.00 1.47 1.49 0.63 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.76 4.87 0.00 1.80 1.86 0.00 3.10 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 45 L 8.53 4.07 0.00 1.72 1.53 0.54 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.26 4.02 1.83 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.42 0.47 0.00 0.00 47 H 7.99 5.60 0.00 3.16 3.28 0.00 5.56 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 48 Y 8.76 5.38 0.00 2.66 3.05 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 0.00 0.00 0.00 49 S 8.07 4.48 0.00 3.22 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 50 Y 9.57 4.51 0.00 3.04 2.87 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 51 G 7.11 3.91 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 0.00 52 A 8.24 4.19 1.27 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 0.00 0.00 53 G 9.23 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 54 N 7.78 4.93 0.00 2.69 2.86 0.00 0.00 6.90 7.31 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 55 T 8.05 4.82 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 1.33 0.00 0.00 56 E 8.66 4.59 0.00 1.16 1.13 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 1.87 1.84 0.00 57 K 8.71 4.38 0.00 1.69 1.77 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.48 7.81 58 G 8.67 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 59 D 9.17 4.81 0.00 2.63 2.77 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 60 I 7.13 4.87 1.96 0.00 0.00 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 1.52 0.98 0.95 0.00 0.00 61 P 0.00 4.36 0.00 2.14 2.13 0.00 3.88 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 2.03 2.03 0.00 62 D 7.49 4.37 0.00 2.93 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.90 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 *65 Y 7.38 5.18 0.00 3.12 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 66 E 9.17 4.88 0.00 1.80 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 2.19 2.20 0.00 67 A 8.20 5.14 1.03 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 0.00 0.00 68 S 9.01 4.61 0.00 3.87 3.91 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 69 R 8.62 5.21 0.00 1.88 1.88 0.00 3.46 0.00 0.00 2.90 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 70 P 0.00 4.31 0.00 2.25 2.20 0.00 4.20 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 2.04 2.00 0.00 71 S 7.54 4.59 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.83 4.17 0.00 3.12 3.37 0.00 5.72 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.94 4.21 0.00 2.19 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 2.32 2.31 0.00 74 Q 7.62 5.15 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.61 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 75 F 9.42 5.48 0.00 3.00 2.84 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 76 S 9.59 5.13 0.00 3.74 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 77 L 8.11 4.45 0.00 0.27 0.13 0.56 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.56 4.65 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.88 0.83 0.00 0.00 79 L 8.77 4.48 0.00 1.45 1.44 0.62 0.72 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 80 V 8.32 3.53 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 0.58 0.00 0.00 0.86 0.00 0.00 81 S 7.82 4.44 0.00 3.80 3.63 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 82 A 9.26 4.78 1.23 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 0.00 0.00 0.00 83 T 8.42 4.82 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 1.20 0.00 0.00 84 P 0.00 4.32 0.00 2.20 2.16 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 85 S 7.95 4.35 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.42 4.40 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.02 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 87 S 7.88 4.70 0.00 3.86 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 0.00 88 S 8.52 4.44 0.00 3.76 3.04 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 89 V 7.41 4.66 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 0.52 0.00 0.00 0.93 0.00 0.00 90 Y 8.86 5.21 0.00 3.09 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 91 F 9.83 5.37 0.00 3.20 3.25 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 92 C 9.81 4.55 0.00 1.23 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.07 5.31 0.75 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 94 S 8.81 5.21 0.00 3.94 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 95 G 8.60 4.53 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 0.00 96 V 7.79 4.67 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 1.10 0.00 0.00 0.81 0.00 0.00 97 G 8.49 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 0.00 0.00 0.00 98 G 8.68 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 99 T 8.08 4.30 4.39 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 1.26 0.00 0.00 100 L 8.43 4.86 0.00 1.39 1.26 0.53 0.68 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 0.00 101 Y 8.87 4.22 0.00 3.08 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 *108 F 8.57 4.96 0.00 2.99 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 0.00 109 G 9.14 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 0.00 0.00 0.00 0.00 110 A 8.79 4.47 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.69 3.43 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 0.00 112 T 8.54 4.79 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 113 R 8.65 4.60 0.00 1.83 1.88 0.00 3.07 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 114 L 9.23 5.28 0.00 1.79 1.76 0.77 0.57 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 0.00 115 S 9.01 4.99 0.00 3.93 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 0.00 116 V 8.72 4.70 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 0.81 0.00 0.00 0.97 0.00 0.00 117 L 8.88 4.40 0.00 1.59 1.52 0.92 0.68 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 * Residues marked with a * may have inaccurate shift predictions.