NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1512 8.0549 114.0564 61.3811 33.0141 174.4767 3 Q 4.4730 8.2392 120.4450 53.6724 32.7349 173.0108 4 Q 4.4631 8.3969 120.4133 54.6357 33.0475 173.5201 5 K 4.2733 8.5907 126.6640 55.8523 32.9812 176.1624 6 V 4.5295 8.0176 118.2960 59.3742 35.4292 174.3314 7 E 4.2598 8.5049 122.7201 54.9805 30.4415 176.0476 8 V 3.8750 8.3025 126.1764 62.6611 31.2122 175.5513 9 R 4.4539 8.3397 125.6800 55.9595 30.8996 176.9793 10 L 4.2599 7.5175 117.8876 54.1359 42.3698 176.7142 11 K 4.3775 8.3984 120.5533 56.7978 32.9025 176.4696 12 T 4.6958 8.2498 113.0298 60.3945 72.6428 172.4800 13 G 4.2351 8.1341 107.6820 45.4569 0.0000 172.9084 14 L 4.2279 8.5745 119.7612 54.9803 42.2436 178.3209 15 Q 4.3081 8.4955 120.8146 55.0638 30.8599 177.3331 16 A 3.9881 8.4978 123.3767 55.5039 18.4229 180.0146 17 R 3.8648 8.0003 116.7217 59.2056 30.3054 176.8551 18 P 4.5868 0.0000 0.0000 65.2521 31.2437 178.2010 19 A 4.1634 8.2533 120.6037 54.9775 18.3250 179.4090 20 A 3.9681 8.4853 119.7793 55.3850 18.5652 179.9274 21 L 3.9547 8.1767 117.5409 57.4974 41.5743 179.4177 22 F 3.3742 8.1630 120.7681 61.2417 39.3018 177.3855 23 V 3.7323 8.0612 117.9029 66.0089 31.0491 177.6423 24 Q 3.9118 7.8935 118.5085 59.1819 29.0279 178.0170 25 E 4.0479 8.0191 118.8611 59.3455 29.5967 179.0842 26 A 4.3421 8.4949 121.2244 55.3582 18.2535 179.3477 27 N 4.3976 8.3156 114.0192 56.0506 38.6064 177.3789 28 R 3.8364 7.5244 118.4474 57.1820 30.4118 176.6040 29 F 4.9515 7.1263 117.2881 56.1527 40.4380 176.1921 30 T 4.1848 9.1875 114.1260 63.7939 68.9865 175.6681 31 S 4.5236 8.2909 118.9022 58.5928 64.2640 173.4699 32 D 4.5373 8.9629 122.8612 54.1805 42.2275 175.7419 33 V 4.7781 7.6079 120.9176 61.2462 35.0572 174.0835 34 F 5.3846 9.3364 125.0237 55.8143 43.8785 173.3819 35 L 5.2714 8.7972 120.0828 53.1427 44.6787 175.4057 36 E 5.1662 9.2161 123.0798 54.6308 33.7246 174.1189 37 K 4.6376 9.2232 126.1571 56.0403 36.3233 175.3872 38 D 4.5257 9.8693 127.2165 55.5463 38.4250 174.7447 39 G 3.9282 8.4036 104.4741 45.4302 0.0000 173.7232 40 K 4.5359 7.9815 119.8614 54.2572 33.9503 174.9829 41 K 5.0996 8.4811 123.7551 54.7130 34.7640 175.4084 42 V 4.6674 8.8252 120.0609 59.3027 36.0396 174.2728 43 N 4.7947 8.7023 121.8677 53.2279 39.5251 175.5256 44 A 3.8381 8.7994 129.4355 53.4640 18.6947 177.6332 45 K 4.3447 8.2904 114.9756 55.6678 32.4114 175.9967 46 S 4.6289 7.5810 114.6664 56.3477 64.1240 175.2391 47 I 3.9692 8.4081 125.7499 62.3687 36.4094 177.1252 *49 G 4.0180 8.1590 110.3300 45.8293 0.0000 176.9476 50 L 3.8909 7.7946 120.7606 54.4903 41.0731 179.1756 *52 S 4.4015 8.0543 112.9400 57.5233 64.7698 173.2875 53 L 4.1413 7.4897 123.7309 54.2443 42.5170 175.7287 54 A 4.5692 8.4549 127.7583 51.9438 18.5810 176.8946 55 V 4.6205 8.5463 114.4709 60.6614 36.3812 174.9479 56 S 4.8743 8.6822 117.5385 56.6078 67.2055 174.0882 57 T 4.0762 8.4397 119.0601 65.2462 68.6083 174.7754 58 G 4.0518 8.9164 114.4483 45.6592 0.0000 174.1346 59 T 4.0067 7.5471 116.1758 63.4173 68.9923 173.3036 60 E 4.4546 8.5143 125.6350 55.1850 30.7609 175.3408 61 V 4.6683 8.0595 117.5631 60.1085 36.5446 174.3969 62 T 4.5808 8.8417 118.3513 61.9877 70.4269 173.7068 63 L 5.0119 8.5800 128.6864 53.8388 43.6847 175.5055 64 I 4.8585 8.9712 126.0522 59.5325 41.0211 174.3156 65 A 5.1607 8.5751 126.4342 50.3828 22.4413 175.2441 66 Q 4.5142 9.8255 122.5025 54.1154 32.7399 175.1905 67 G 4.3995 8.6589 114.0207 44.7113 0.0000 172.1040 68 E 3.9835 8.5317 120.0460 58.5076 29.7696 177.2522 69 D 5.0545 7.9002 117.5054 52.7609 40.2192 177.9467 70 E 3.8732 8.0523 121.4420 60.6217 29.2750 178.4632 71 Q 3.8939 7.9122 118.2844 58.8107 28.9128 178.1353 72 E 4.1615 8.3527 120.9208 58.4662 29.6991 178.4981 73 A 2.5800 7.6089 120.8949 54.3736 18.2755 179.2724 74 L 3.8090 7.8839 119.1220 58.3122 42.2315 179.0841 75 E 3.8993 8.1339 118.4019 59.2120 29.4183 179.3020 76 K 4.0683 8.0478 119.6115 59.6870 32.2982 178.9608 77 L 3.9824 8.0464 119.0344 57.4193 41.6372 179.3195 78 A 3.9383 8.2967 121.0082 55.0456 18.2347 179.5418 79 A 4.2023 7.8038 120.2285 54.7489 18.0560 179.2453 80 Y 3.8062 7.8133 118.0204 60.9285 38.7113 178.4564 81 V 3.2969 7.5275 117.7300 65.5003 31.6209 176.9452 82 Q 4.2707 7.5720 114.4529 54.4307 29.1631 175.2005 83 E 3.6361 7.5358 118.4910 57.1990 27.4633 174.5598 84 E 4.4576 8.1168 117.0450 55.3399 31.0185 176.5148 85 V 4.4747 7.8466 114.9036 59.0205 34.9875 175.6516 86 L 4.1664 8.2493 122.1117 54.5438 42.2161 177.4980 87 Q 4.1700 8.6454 120.1827 56.4497 28.5882 176.4766 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 V 8.05 4.15 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 0.90 0.00 0.00 0.93 0.00 0.00 3 Q 8.24 4.47 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 4 Q 8.40 4.46 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 5 K 8.59 4.27 0.00 1.76 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.45 7.81 6 V 8.02 4.53 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 0.77 0.00 0.00 0.93 0.00 0.00 7 E 8.50 4.26 0.00 1.92 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 2.25 2.28 0.00 8 V 8.30 3.87 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 0.89 0.00 0.00 0.93 0.00 0.00 9 R 8.34 4.45 0.00 1.83 1.94 0.00 3.26 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 10 L 7.52 4.26 0.00 1.64 1.60 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.40 4.38 0.00 1.64 1.74 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.44 7.81 12 T 8.25 4.70 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 1.22 0.00 0.00 13 G 8.13 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 14 L 8.57 4.23 0.00 1.70 1.71 1.11 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.50 4.31 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 16 A 8.50 3.99 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 17 R 8.00 3.86 0.00 1.92 1.98 0.00 3.22 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 18 P 0.00 4.59 0.00 2.43 2.37 0.00 3.96 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 2.30 1.94 0.00 19 A 8.25 4.16 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 20 A 8.49 3.97 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 21 L 8.18 3.95 0.00 1.85 1.65 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.16 3.37 0.00 3.48 3.06 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 23 V 8.06 3.73 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 1.05 0.00 0.00 0.94 0.00 0.00 24 Q 7.89 3.91 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 25 E 8.02 4.05 0.00 2.10 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 2.25 0.00 26 A 8.49 4.34 1.47 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 0.00 0.00 27 N 8.32 4.40 0.00 2.74 2.86 0.00 0.00 7.09 8.52 0.00 0.00 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 R 7.52 3.84 0.00 1.18 1.48 0.00 2.94 0.00 0.00 3.02 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 29 F 7.13 4.95 0.00 3.09 3.23 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 30 T 9.19 4.18 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 1.23 0.00 0.00 31 S 8.29 4.52 0.00 3.82 3.89 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 32 D 8.96 4.54 0.00 2.66 2.38 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 33 V 7.61 4.78 1.97 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 1.16 0.00 0.00 0.88 0.00 0.00 34 F 9.34 5.38 0.00 2.96 2.92 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 35 L 8.80 5.27 0.00 1.60 1.58 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.22 5.17 0.00 2.00 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 2.38 0.00 37 K 9.22 4.64 0.00 1.91 1.59 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.47 7.81 38 D 9.87 4.53 0.00 2.82 2.70 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 39 G 8.40 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 0.00 0.00 0.00 40 K 7.98 4.54 0.00 1.89 1.71 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.49 7.81 41 K 8.48 5.10 0.00 1.60 1.51 0.00 0.96 0.00 0.00 1.61 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.36 7.81 42 V 8.83 4.67 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 0.78 0.00 0.00 0.99 0.00 0.00 43 N 8.70 4.79 0.00 2.84 2.66 0.00 0.00 6.90 8.70 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 44 A 8.80 3.84 1.01 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 0.00 0.00 0.00 0.00 0.00 45 K 8.29 4.34 0.00 1.75 1.95 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.26 7.81 46 S 7.58 4.63 0.00 3.79 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 47 I 8.41 3.97 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.92 0.00 0.00 *49 G 8.16 4.02 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 0.00 0.00 0.00 50 L 7.79 3.89 0.00 1.83 1.60 0.46 0.60 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 *52 S 8.05 4.40 0.00 4.00 4.03 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 53 L 7.49 4.14 0.00 1.57 1.61 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.45 4.57 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 8.55 4.62 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 0.71 0.00 0.00 0.97 0.00 0.00 56 S 8.68 4.87 0.00 3.75 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 57 T 8.44 4.08 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 58 G 8.92 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 59 T 7.55 4.01 4.31 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 1.22 0.00 0.00 60 E 8.51 4.45 0.00 1.90 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 2.24 2.39 0.00 61 V 8.06 4.67 2.26 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 0.82 0.00 0.00 1.00 0.00 0.00 62 T 8.84 4.58 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 63 L 8.58 5.01 0.00 1.72 1.60 1.18 1.10 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 64 I 8.97 4.86 2.09 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 1.21 0.75 1.03 0.00 0.00 65 A 8.58 5.16 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 66 Q 9.83 4.51 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 67 G 8.66 4.40 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 0.00 68 E 8.53 3.98 0.00 1.96 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 2.31 2.27 0.00 69 D 7.90 5.05 0.00 3.10 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 70 E 8.05 3.87 0.00 2.31 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 71 Q 7.91 3.89 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 72 E 8.35 4.16 0.00 2.13 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 2.64 2.54 0.00 73 A 7.61 2.58 0.72 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 0.00 0.00 74 L 7.88 3.81 0.00 1.83 1.76 0.92 1.05 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 75 E 8.13 3.90 0.00 2.16 1.97 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 2.31 2.35 0.00 76 K 8.05 4.07 0.00 2.05 1.85 0.00 1.60 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.75 7.81 77 L 8.05 3.98 0.00 1.80 1.73 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.30 3.94 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 79 A 7.80 4.20 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 80 Y 7.81 3.81 0.00 3.14 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 81 V 7.53 3.30 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 0.92 0.00 0.00 0.81 0.00 0.00 82 Q 7.57 4.27 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.51 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 83 E 7.54 3.64 0.00 2.00 1.91 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 2.02 2.06 0.00 84 E 8.12 4.46 0.00 1.99 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 85 V 7.85 4.47 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 0.74 0.00 0.00 0.92 0.00 0.00 86 L 8.25 4.17 0.00 1.64 1.60 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.65 4.17 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.