NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3218 8.1593 115.2423 61.6475 69.0957 172.8437 3 T 4.4706 7.4050 108.7387 58.0201 72.0707 172.1631 4 S 4.6522 8.3783 117.7587 57.3241 67.0951 176.0313 5 Q 4.0943 8.4357 121.8367 58.6025 28.7905 177.7500 6 K 3.9635 8.0555 120.7563 59.6199 32.2677 177.8238 7 H 4.0893 8.2029 118.2638 59.6262 29.6236 177.3843 8 R 4.0719 8.1674 119.6860 59.4983 29.6516 178.9008 9 D 4.4233 8.3145 118.2415 57.1377 40.6315 178.3499 10 F 4.1357 8.3061 121.1538 61.4080 39.3376 177.5185 11 V 3.9767 8.0522 115.8567 65.5362 31.3582 177.1307 12 A 4.4157 7.7302 119.1338 52.8651 18.6063 176.3211 13 E 4.6815 7.2990 113.1234 53.7617 33.4781 175.4181 14 P 4.3142 0.0000 0.0000 62.0303 32.0824 175.7061 *16 G 4.0040 8.0077 110.2778 46.9865 0.0000 172.9174 17 E 4.6788 8.8348 123.6869 55.7943 29.5477 176.1224 18 K 4.0273 7.9539 119.0253 55.9917 32.8335 175.0400 19 P 4.9178 0.0000 0.0000 62.1516 32.4669 177.7652 20 V 3.6280 8.2779 111.9249 64.3494 31.4348 178.9920 21 G 3.7588 8.0003 107.0489 47.5740 0.0000 174.2954 22 S 4.3537 7.8114 115.2441 60.0159 63.4308 174.5770 23 L 3.4505 7.8432 122.1024 53.4167 42.0340 176.3896 24 A 4.0872 8.1240 126.1455 53.9083 18.7316 178.5231 25 G 3.9229 8.9395 110.0429 45.3528 0.0000 173.8367 26 I 4.0795 7.4684 120.6648 59.9492 36.4616 176.2052 27 G 3.9793 7.9659 113.3831 43.3267 0.0000 171.1542 28 E 3.9838 8.6145 118.4351 59.4175 29.3526 179.6621 29 V 3.5504 7.6806 117.5274 66.1452 31.6455 177.9551 30 L 4.0512 7.8932 118.3086 57.5884 41.4631 179.5252 31 G 3.6772 8.6745 108.6174 48.3290 0.0000 176.4677 32 K 4.1688 8.1223 126.2192 59.5677 31.6101 181.1297 33 K 4.3119 7.8366 119.6537 59.2698 31.8446 179.5569 34 L 4.1278 8.2061 119.4977 57.7458 41.4636 179.3465 35 E 4.1280 8.4342 118.6906 59.5777 29.2195 179.3009 36 E 4.0122 8.3050 117.3808 58.7369 29.5053 178.5491 37 R 4.5191 7.4144 114.8196 55.7951 30.4937 177.2082 38 G 3.8141 8.3730 107.8690 45.2765 0.0000 174.8719 39 F 4.5435 8.1508 120.1301 55.9224 38.0958 174.6754 40 D 4.5837 8.0958 124.2210 53.8739 41.0402 177.6137 41 K 4.7383 7.2751 117.6082 53.9947 34.5945 176.9478 42 A 4.0496 8.6754 123.8635 55.2932 18.2308 179.8706 43 Y 4.1059 7.6787 115.6198 59.7123 38.0670 178.4202 44 V 3.7964 7.2962 120.5797 65.8680 31.6739 178.1110 45 V 3.8413 7.8626 117.7012 65.7960 31.4025 177.5504 46 L 4.0465 8.2386 120.5400 57.8752 41.8082 179.0373 47 G 3.7795 8.1949 105.7596 48.1183 0.0000 175.3975 48 Q 3.7944 8.1117 122.5011 58.4617 28.8295 177.8453 49 F 4.1627 8.3487 121.7396 61.5632 39.3540 177.2017 50 L 3.9057 8.3536 118.5293 57.4877 41.2199 179.5098 51 V 3.7342 7.8462 117.5714 64.9013 31.6516 176.9465 52 L 4.4780 7.6978 117.8960 53.2504 41.7159 176.5523 53 K 3.6993 8.4075 116.4856 57.5285 30.1215 175.8354 54 K 2.4800 7.7414 113.5494 56.7901 30.2974 175.9887 55 D 4.4152 7.8198 119.6876 53.8114 41.6572 175.8473 56 E 2.9195 8.7919 127.9786 59.3650 29.4709 178.2397 57 D 4.2940 7.8827 117.8643 57.4880 40.9311 178.8056 58 L 4.0106 8.3740 119.3440 57.6998 41.5784 179.4450 59 F 4.2495 8.5932 120.8096 61.5842 39.4770 177.4315 60 R 3.9320 8.5217 118.0901 59.3407 29.8294 178.9874 61 E 3.9715 8.5516 118.7319 58.8162 29.3729 179.1500 62 W 3.9706 8.3698 129.0163 60.1648 30.6623 177.8210 63 L 2.7749 7.9851 120.7019 57.5868 41.4797 178.7638 64 K 3.9099 7.7876 119.4841 59.7707 31.8832 178.5256 65 D 4.2428 7.6906 117.8378 57.2830 40.7312 178.5305 66 T 3.8823 7.1675 115.9833 65.3523 68.5589 175.2155 67 C 4.5209 7.4225 111.1029 56.7832 30.8074 174.2258 68 G 3.7028 8.1316 107.6308 46.2713 0.0000 174.0459 69 A 4.1016 7.7446 121.7392 51.9138 18.9448 178.8372 70 N 4.7042 8.9682 119.9255 51.3534 40.5821 176.0357 71 A 3.9563 8.4641 121.0618 55.5985 18.1163 179.6904 72 K 3.9410 8.0308 117.2688 59.7762 32.4220 178.9204 73 Q 4.0147 8.8244 119.0738 58.9143 28.5134 178.9176 74 S 4.2204 8.4292 115.7040 61.2033 63.0184 176.4786 75 R 4.0351 8.1382 122.3212 59.4598 29.9202 178.2189 76 D 4.3979 8.4300 118.8744 57.4747 40.7994 178.4094 77 C 4.4077 8.2218 120.3932 61.9124 31.6663 175.1387 78 F 4.1814 8.8573 122.7030 61.5401 38.9668 177.2410 79 G 3.5914 8.4825 105.3516 47.7862 0.0000 175.1128 80 C 3.9954 7.9805 120.7559 62.4045 31.6263 175.8000 81 L 3.8141 7.5864 120.5885 57.3567 40.9963 179.3923 82 R 3.7925 7.6335 118.9432 59.5756 30.0276 178.5374 83 E 4.1317 8.2631 118.4377 59.0020 29.3349 179.0323 84 W 4.1429 8.2560 128.4904 60.7811 30.7398 177.8576 85 C 4.3151 8.4817 116.6543 63.0146 27.3908 175.6748 86 D 4.2998 7.9146 119.2456 57.3246 40.4261 178.4111 87 A 3.7486 7.4021 120.0935 53.6453 18.6707 178.0979 88 F 4.3447 7.3014 113.0548 57.0253 41.3595 175.0637 89 L 4.2135 7.6238 126.6650 55.2093 41.8126 176.2080 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 T 8.16 4.32 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 1.20 0.00 0.00 3 T 7.41 4.47 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 0.98 0.00 0.00 4 S 8.38 4.65 0.00 4.09 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 5 Q 8.44 4.09 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.78 0.00 6 K 8.06 3.96 0.00 1.89 1.82 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.53 7.81 7 H 8.20 4.09 0.00 3.37 3.58 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.17 4.07 0.00 2.11 2.04 0.00 3.22 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 9 D 8.31 4.42 0.00 2.88 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 10 F 8.31 4.14 0.00 3.30 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 11 V 8.05 3.98 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 0.94 0.00 0.00 1.04 0.00 0.00 12 A 7.73 4.42 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 13 E 7.30 4.68 0.00 1.96 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 2.27 2.12 0.00 14 P 0.00 4.31 0.00 1.95 1.91 0.00 3.57 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 *16 G 8.01 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 17 E 8.83 4.68 0.00 2.00 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 0.00 2.30 2.30 0.00 18 K 7.95 4.03 0.00 1.90 1.83 0.00 1.56 0.00 0.00 1.97 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.42 7.81 19 P 0.00 4.92 0.00 2.22 2.19 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 20 V 8.28 3.63 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 0.79 0.00 0.00 0.94 0.00 0.00 21 G 8.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.81 4.35 0.00 4.17 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 23 L 7.84 3.45 0.00 1.65 1.33 0.85 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.12 4.09 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 25 G 8.94 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.47 4.08 2.02 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 1.18 0.88 0.92 0.00 0.00 27 G 7.97 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 0.00 0.00 0.00 28 E 8.61 3.98 0.00 2.01 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 2.40 2.37 0.00 29 V 7.68 3.55 2.05 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 1.04 0.00 0.00 0.91 0.00 0.00 30 L 7.89 4.05 0.00 1.68 1.63 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.67 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 32 K 8.12 4.17 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.36 7.81 33 K 7.84 4.31 0.00 1.88 1.82 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.60 7.81 34 L 8.21 4.13 0.00 1.85 1.96 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.43 4.13 0.00 2.17 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 2.34 2.62 0.00 36 E 8.30 4.01 0.00 2.07 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 2.35 2.65 0.00 37 R 7.41 4.52 0.00 2.25 2.25 0.00 3.41 0.00 0.00 3.28 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 38 G 8.37 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 39 F 8.15 4.54 0.00 3.22 3.13 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 40 D 8.10 4.58 0.00 2.78 2.88 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 0.00 0.00 0.00 41 K 7.28 4.74 0.00 0.79 1.40 0.00 1.95 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.47 0.00 0.00 0.00 0.00 1.21 1.15 7.81 42 A 8.68 4.05 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 43 Y 7.68 4.11 0.00 3.12 3.17 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 44 V 7.30 3.80 2.22 0.00 0.00 0.00 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 0.53 0.00 0.00 45 V 7.86 3.84 2.32 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 1.32 0.00 0.00 1.13 0.00 0.00 46 L 8.24 4.05 0.00 1.69 1.79 1.00 0.71 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 47 G 8.19 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 48 Q 8.11 3.79 0.00 1.81 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 1.16 1.37 0.00 49 F 8.35 4.16 0.00 2.65 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 50 L 8.35 3.91 0.00 1.92 1.73 1.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.85 3.73 2.20 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 0.80 0.00 0.00 0.96 0.00 0.00 52 L 7.70 4.48 0.00 1.91 1.64 0.93 0.77 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 53 K 8.41 3.70 0.00 1.83 1.80 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.34 7.81 54 K 7.74 2.48 0.00 1.69 1.62 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.80 1.04 7.81 55 D 7.82 4.42 0.00 2.85 2.56 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 56 E 8.79 2.92 0.00 1.18 1.65 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 2.02 1.47 0.00 57 D 7.88 4.29 0.00 2.82 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 58 L 8.37 4.01 0.00 1.73 1.77 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.59 4.25 0.00 3.33 3.34 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 60 R 8.52 3.93 0.00 1.91 1.96 0.00 3.13 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.85 0.00 61 E 8.55 3.97 0.00 2.09 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 2.30 2.33 0.00 62 W 8.37 3.97 0.00 3.36 3.28 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 63 L 7.99 2.77 0.00 1.35 1.50 0.64 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.79 3.91 0.00 1.76 1.83 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.49 7.81 65 D 7.69 4.24 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.17 3.88 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 0.66 0.00 0.00 67 C 7.42 4.52 0.00 2.86 2.73 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 68 G 8.13 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 69 A 7.74 4.10 1.14 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 70 N 8.97 4.70 0.00 2.98 2.96 0.00 0.00 6.78 7.13 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 71 A 8.46 3.96 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 72 K 8.03 3.94 0.00 1.89 1.95 0.00 1.64 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.71 7.81 73 Q 8.82 4.01 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 74 S 8.43 4.22 0.00 4.06 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 75 R 8.14 4.04 0.00 2.05 2.27 0.00 3.32 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 76 D 8.43 4.40 0.00 2.75 2.73 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 77 C 8.22 4.41 0.00 3.16 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 78 F 8.86 4.18 0.00 3.55 3.50 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 79 G 8.48 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.98 4.00 0.00 3.12 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 81 L 7.59 3.81 0.00 0.59 0.28 0.51 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.63 3.79 0.00 1.11 1.59 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 83 E 8.26 4.13 0.00 2.18 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 2.34 2.43 0.00 84 W 8.26 4.14 0.00 3.76 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.48 4.32 0.00 3.39 3.16 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 0.00 0.00 0.00 86 D 7.91 4.30 0.00 2.78 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 87 A 7.40 3.75 0.63 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 0.00 0.00 88 F 7.30 4.34 0.00 1.51 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 4.21 0.00 1.75 1.75 1.10 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.