NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3200 8.2649 123.5858 52.0549 19.9328 176.3315 6 R 4.3025 8.2581 121.0359 53.9271 31.8078 174.8008 7 A 4.1896 8.1240 123.4669 51.2683 19.9869 175.8339 8 P 4.4856 0.0000 0.0000 62.4813 32.1599 176.3171 9 L 4.3364 8.1037 119.5095 53.3764 42.4942 175.2815 10 P 4.5074 0.0000 0.0000 61.5851 32.0642 174.4630 11 P 4.2487 0.0000 0.0000 63.0441 31.6660 176.6185 12 G 3.9590 8.4425 111.3129 44.5375 0.0000 172.9998 13 D 4.8148 9.0443 120.3605 52.0492 42.9961 177.1240 14 A 4.0632 8.6174 129.5246 55.0555 18.5305 178.9769 15 A 3.9220 8.0350 118.9488 55.4039 18.6255 179.7066 16 R 3.9701 8.7284 117.1647 59.5722 30.0988 179.5478 17 G 3.6761 8.3709 105.5977 47.6502 0.0000 175.3848 18 E 2.6299 8.3134 121.9172 58.4143 29.5852 178.7790 19 K 3.8393 7.7066 119.1986 59.5841 32.2732 178.7710 20 L 3.9944 7.9322 119.1922 57.6159 41.4623 179.2946 21 F 3.9097 8.3760 120.9977 61.3149 39.1179 177.4201 22 K 4.1906 8.2927 117.1946 59.2151 31.8367 179.1166 23 G 3.7691 7.6790 104.7567 46.4357 0.0000 175.1286 24 R 4.5992 8.0306 116.9371 55.6354 32.3265 176.3795 25 A 4.1185 7.8854 119.9142 52.1540 20.9132 178.0650 26 A 4.3870 7.7359 117.8987 54.4601 18.6293 179.4185 27 Q 4.0698 7.9283 112.7754 58.4532 29.1037 176.4772 28 C 4.6288 8.1500 115.4453 59.8961 30.8685 173.3806 29 H 5.2545 7.6785 116.5564 53.9826 31.9618 173.5379 30 T 4.6768 8.6986 112.8192 61.1993 70.6023 174.9380 31 A 4.7914 8.6704 122.7056 51.4235 20.7126 175.9875 32 N 4.7267 7.8376 113.8390 50.9777 38.9596 174.4688 33 Q 3.1247 7.8336 121.3671 57.3295 29.2182 176.8387 34 G 3.8473 8.8182 112.7051 45.5175 0.0000 173.6575 35 G 3.7263 7.8638 108.4328 45.0387 0.0000 173.5317 36 A 4.3984 8.1335 122.5363 51.0412 19.6367 177.5711 37 N 4.8371 8.5361 117.7253 53.5403 40.3416 175.8035 38 G 4.0510 8.3136 112.9080 44.4172 0.0000 174.4608 39 V 3.6861 9.0483 122.7224 65.3361 31.3971 175.5627 40 G 4.0656 7.9663 105.6056 43.0244 0.0000 170.5626 41 P 4.9050 0.0000 0.0000 61.9450 32.2305 175.8957 42 N 4.6086 8.9625 120.2301 53.4266 39.6735 174.6075 43 L 4.6300 8.6781 123.9619 54.4364 42.3933 175.6648 44 Y 4.0743 8.2150 121.1179 58.8280 38.9906 176.0363 45 G 3.7253 7.9745 114.4207 46.3003 0.0000 174.5582 46 L 4.0130 7.6167 123.6560 57.5192 42.2191 177.8340 47 V 3.9937 7.4309 117.7679 64.2169 31.7064 175.9866 48 G 3.9430 8.9686 115.7604 45.2006 0.0000 173.3718 49 R 4.2573 7.9570 120.8992 55.8636 31.4737 175.4374 50 H 4.6035 8.7847 122.5228 56.0187 29.2182 175.5412 51 S 4.2414 8.7221 118.4374 58.9025 63.7941 174.0015 52 G 2.6613 8.8033 108.4979 46.6312 0.0000 174.1598 53 T 4.7660 7.8298 105.0084 60.6820 70.3464 173.6888 54 I 3.9352 8.5054 124.2013 61.2771 37.6295 175.2422 55 E 4.1869 8.8530 125.5115 58.0186 29.6843 177.3301 56 G 4.0426 9.0286 114.0563 45.7260 0.0000 172.7564 57 Y 3.7626 7.8867 120.7340 56.6865 39.3290 174.6710 58 A 4.3360 6.7873 129.9292 50.7632 18.9654 176.1483 59 Y 4.7023 8.3317 119.4525 57.5653 39.4962 176.6174 60 S 4.4461 8.6914 116.6114 58.4243 64.9507 175.4518 61 K 3.9314 8.7058 121.5434 59.6308 31.5751 179.2926 62 A 4.0103 7.9646 119.1888 55.4422 18.2476 178.8177 63 N 4.4869 8.5653 115.2880 56.5440 38.8163 176.9375 64 A 3.8690 8.2767 122.0023 54.6818 17.8792 178.5603 65 E 4.3355 8.2265 114.9906 56.7172 29.7656 178.4009 66 S 4.2478 7.6527 114.5372 59.1455 63.0266 174.4785 67 G 3.8605 7.2237 106.1139 46.5478 0.0000 173.2155 68 V 4.2431 7.0593 110.8890 59.1096 35.1431 175.0014 69 V 4.3559 7.6803 121.1114 60.2186 33.3806 176.4783 70 W 4.9246 8.4553 130.2262 56.3416 26.8249 175.9267 71 T 4.5453 7.5677 112.2492 60.2582 70.3469 174.5663 72 P 4.2639 0.0000 0.0000 65.9138 30.6592 178.6178 73 D 4.4056 8.0872 117.4906 56.4264 39.3132 178.7725 74 V 3.6640 7.7325 119.1168 65.6933 31.7309 177.7099 75 L 4.1497 8.3708 119.0181 57.8642 41.4379 178.9817 76 D 4.2981 8.2314 117.8614 57.5954 41.0207 178.6709 77 V 3.6714 7.2809 116.5031 65.8626 31.7952 177.0957 78 Y 4.0874 7.8178 119.3008 60.8198 38.6550 178.2545 79 L 3.8953 8.4125 119.9958 57.3527 41.4811 179.0826 80 E 4.2892 7.9679 120.6438 57.8564 30.3018 175.3943 81 N 4.9787 7.7758 113.8779 53.0556 40.7670 173.4946 82 P 4.1497 0.0000 0.0000 62.2327 31.3985 178.5409 *84 K 4.3077 8.1389 121.0615 56.4991 33.8028 176.6274 85 F 4.3665 8.4364 119.8721 60.6493 40.0752 175.0592 86 M 4.8232 8.8521 119.6625 52.4268 31.8138 172.2063 87 P 4.4609 0.0000 0.0000 64.3490 32.2085 177.7913 88 G 4.0027 8.9670 110.0668 45.3201 0.0000 173.6258 89 T 4.1137 7.7612 114.2505 62.4338 67.7854 173.5101 90 K 4.4641 8.5789 124.3706 56.6933 32.9637 175.7058 91 M 4.2474 7.9400 119.9343 55.8778 32.4286 177.5083 92 S 4.5857 8.4503 126.9911 57.0860 61.7230 173.5447 93 F 4.8154 7.6425 120.7157 56.0455 42.3115 174.0834 94 A 3.8145 8.1059 131.3766 55.5021 18.4353 176.4588 95 G 4.1243 5.5008 98.0709 44.1985 0.0000 172.6754 96 M 4.5627 8.5927 119.7084 53.0772 33.6285 177.2903 97 K 3.8958 8.6511 125.9448 58.4415 32.9891 177.4196 98 K 4.3453 7.8272 119.2850 54.5761 33.0360 175.3374 99 P 4.2489 0.0000 0.0000 65.8487 31.2714 178.4082 100 Q 3.9618 8.0646 117.6875 59.1554 28.9897 178.0181 101 E 3.9780 8.1134 119.2090 59.4635 29.5112 179.3526 102 R 3.9507 8.0711 117.9103 59.1502 30.0456 178.9302 103 A 4.0040 8.2841 120.7703 55.2004 18.2745 179.4573 104 D 4.3662 8.4185 117.6109 57.5614 40.8872 179.0732 105 V 3.7053 7.9230 118.6728 66.2178 31.5042 178.0809 106 I 3.6945 8.1250 119.4434 64.3751 36.7230 178.2491 107 A 4.2850 8.0159 122.0426 54.6709 18.4441 178.8072 108 Y 4.1547 8.2935 118.2858 60.9518 38.9465 178.1633 109 L 3.5953 8.2356 120.1724 57.7703 41.1129 179.4265 110 E 3.9599 8.0174 118.6049 58.9289 29.1450 178.5885 111 T 4.0884 7.2603 107.8964 62.2475 70.7020 175.3781 112 L 4.0425 7.1403 125.3134 52.6968 40.0836 174.5856 113 K 4.3859 7.0362 118.1275 55.6986 36.1898 177.3138 114 G 4.0700 8.6507 106.7868 45.8843 0.0000 173.3315 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 5 A 8.26 4.32 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 6 R 8.26 4.30 0.00 1.92 1.89 0.00 3.29 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 7 A 8.12 4.19 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 8 P 0.00 4.49 0.00 2.20 2.08 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 9 L 8.10 4.34 0.00 1.67 1.65 0.97 1.16 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 10 P 0.00 4.51 0.00 2.30 2.06 0.00 3.79 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 2.00 1.99 0.00 11 P 0.00 4.25 0.00 2.07 2.05 0.00 3.67 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 2.03 2.10 0.00 12 G 8.44 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 13 D 9.04 4.81 0.00 2.68 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 14 A 8.62 4.06 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 15 A 8.04 3.92 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 16 R 8.73 3.97 0.00 2.03 2.07 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 17 G 8.37 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.31 2.63 0.00 1.56 1.87 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 2.07 1.66 0.00 19 K 7.71 3.84 0.00 1.82 1.95 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 20 L 7.93 3.99 0.00 1.90 1.72 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.38 3.91 0.00 2.97 2.80 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 22 K 8.29 4.19 0.00 1.86 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.63 7.81 23 G 7.68 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 0.00 0.00 0.00 24 R 8.03 4.60 0.00 1.69 2.05 0.00 3.34 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 25 A 7.89 4.12 0.14 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 26 A 7.74 4.39 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 27 Q 7.93 4.07 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 28 C 8.15 4.63 0.00 2.63 2.79 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 29 H 7.68 5.25 0.00 3.10 3.28 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.70 4.68 4.30 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 1.29 0.00 0.00 31 A 8.67 4.79 1.07 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 0.00 0.00 32 N 7.84 4.73 0.00 2.85 2.94 0.00 0.00 5.85 7.88 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 33 Q 7.83 3.12 0.00 0.93 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.01 0.00 0.00 0.00 0.00 0.00 2.02 1.71 0.00 34 G 8.82 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.86 3.73 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 0.00 0.00 0.00 36 A 8.13 4.40 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 37 N 8.54 4.84 0.00 2.81 2.98 0.00 0.00 6.66 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 38 G 8.31 4.05 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 0.00 0.00 0.00 39 V 9.05 3.69 2.04 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 0.82 0.00 0.00 0.93 0.00 0.00 40 G 7.97 4.07 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 0.00 0.00 0.00 41 P 0.00 4.90 0.00 1.94 1.33 0.00 3.35 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.54 0.00 42 N 8.96 4.61 0.00 3.05 2.82 0.00 0.00 7.01 7.51 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 43 L 8.68 4.63 0.00 1.75 1.55 0.80 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.21 4.07 0.00 3.00 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 45 G 7.97 3.73 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 0.00 0.00 0.00 46 L 7.62 4.01 0.00 1.82 1.57 0.78 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.43 3.99 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 0.87 0.00 0.00 0.90 0.00 0.00 48 G 8.97 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 49 R 7.96 4.26 0.00 2.33 1.97 0.00 3.18 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 50 H 8.78 4.60 0.00 3.07 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.72 4.24 0.00 3.77 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 52 G 8.80 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 0.00 0.00 0.00 53 T 7.83 4.77 4.30 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 1.21 0.00 0.00 54 I 8.51 3.94 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.07 1.03 0.00 0.00 55 E 8.85 4.19 0.00 1.99 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 2.35 2.38 0.00 56 G 9.03 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 57 Y 7.89 3.76 0.00 2.88 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 58 A 6.79 4.34 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.33 4.70 0.00 3.09 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 60 S 8.69 4.45 0.00 4.15 4.15 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 0.00 0.00 0.00 0.00 61 K 8.71 3.93 0.00 1.86 1.94 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.56 7.81 62 A 7.96 4.01 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 63 N 8.57 4.49 0.00 3.06 3.12 0.00 0.00 7.18 7.75 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 64 A 8.28 3.87 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 65 E 8.23 4.34 0.00 2.11 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 0.00 2.26 2.38 0.00 66 S 7.65 4.25 0.00 3.95 4.14 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 67 G 7.22 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 0.00 0.00 0.00 68 V 7.06 4.24 1.77 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 0.55 0.00 0.00 -0.11 0.00 0.00 69 V 7.68 4.36 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 0.74 0.00 0.00 0.72 0.00 0.00 70 W 8.46 4.92 0.00 3.36 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 71 T 7.57 4.55 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 1.20 0.00 0.00 72 P 0.00 4.26 0.00 2.19 2.17 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 73 D 8.09 4.41 0.00 2.90 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 74 V 7.73 3.66 2.25 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 0.96 0.00 0.00 0.94 0.00 0.00 75 L 8.37 4.15 0.00 1.92 1.75 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.23 4.30 0.00 2.90 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 77 V 7.28 3.67 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 1.06 0.00 0.00 1.05 0.00 0.00 78 Y 7.82 4.09 0.00 2.27 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 79 L 8.41 3.90 0.00 1.76 1.74 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.97 4.29 0.00 2.18 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 0.00 2.31 2.18 0.00 81 N 7.78 4.98 0.00 2.69 2.67 0.00 0.00 6.82 8.80 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 82 P 0.00 4.15 0.00 2.21 1.82 0.00 3.82 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.74 0.00 *84 K 8.14 4.31 0.00 1.79 2.11 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.49 7.81 85 F 8.44 4.37 0.00 3.27 3.39 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 86 M 8.85 4.82 0.00 2.39 2.39 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 87 P 0.00 4.46 0.00 2.24 2.09 0.00 3.87 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 88 G 8.97 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 0.00 0.00 0.00 89 T 7.76 4.11 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 1.41 0.00 0.00 90 K 8.58 4.46 0.00 1.97 1.95 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.54 7.81 91 M 7.94 4.25 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 92 S 8.45 4.59 0.00 3.94 3.85 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 0.00 0.00 0.00 93 F 7.64 4.82 0.00 2.77 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 94 A 8.11 3.81 1.07 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 0.00 0.00 95 G 5.50 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 96 M 8.59 4.56 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.56 0.00 97 K 8.65 3.90 0.00 1.66 1.81 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.51 7.81 98 K 7.83 4.35 0.00 1.84 1.73 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.51 7.81 99 P 0.00 4.25 0.00 2.16 2.12 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 100 Q 8.06 3.96 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.68 0.00 101 E 8.11 3.98 0.00 2.20 2.01 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 0.00 2.41 2.41 0.00 102 R 8.07 3.95 0.00 2.04 2.00 0.00 3.23 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 103 A 8.28 4.00 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 0.00 104 D 8.42 4.37 0.00 2.88 2.86 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 0.00 105 V 7.92 3.71 2.14 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 1.23 0.00 0.00 1.03 0.00 0.00 106 I 8.12 3.69 1.89 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 1.47 0.53 0.92 0.00 0.00 107 A 8.02 4.28 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.29 4.15 0.00 3.19 3.15 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 0.00 0.00 0.00 0.00 109 L 8.24 3.60 0.00 1.75 1.55 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.02 3.96 0.00 2.16 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 111 T 7.26 4.09 4.14 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 1.23 0.00 0.00 112 L 7.14 4.04 0.00 1.33 1.19 0.52 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.04 4.39 0.00 1.65 1.50 0.00 1.48 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.35 7.81 114 G 8.65 4.07 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.