NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6152 8.2233 120.1912 53.8804 42.5909 176.2348 3 E 3.8490 8.7445 126.6537 57.6654 29.4566 177.7248 4 Q 4.1145 10.0952 119.7359 58.8176 29.3824 178.2724 5 S 4.0859 8.3006 116.8509 61.6302 62.9274 176.5723 6 V 3.6170 7.5456 120.8210 65.9841 31.1831 177.6950 7 E 3.9451 8.2173 119.1384 59.1368 29.2518 178.6369 8 S 4.1515 8.2376 114.8676 61.9704 62.9119 176.6294 9 I 3.9732 7.7694 121.6030 64.4118 36.7475 178.3516 10 A 4.1555 8.3542 121.7839 55.0826 18.2712 179.1862 11 E 3.8815 8.4802 118.0357 59.5683 29.4819 179.0911 12 V 3.5264 7.3363 116.5560 65.3085 31.5495 176.4880 13 F 4.7455 7.7801 115.3912 57.4912 39.4203 175.6703 14 R 4.8095 7.4412 118.3523 54.1730 31.7721 175.8339 15 C 4.4483 8.8358 121.9964 58.9943 32.0113 174.5714 16 F 4.2579 8.7396 129.9324 61.1700 39.3289 176.4623 17 I 3.8127 7.3599 121.4088 63.4893 37.0428 175.8121 18 C 4.0649 7.3768 112.8432 59.1468 30.6548 175.2664 *20 E 4.1577 7.9064 118.4945 54.7275 31.0936 175.3434 21 K 4.4691 8.2710 118.1305 56.8168 33.2116 176.7793 22 L 4.2062 8.3452 120.5689 54.7531 42.0821 176.8200 23 R 4.4689 8.3582 120.9695 55.5094 32.9133 175.6767 24 D 4.2975 8.8737 123.8845 54.4666 38.6030 173.5693 25 A 4.2859 7.5700 119.4184 53.1288 19.8245 178.3975 26 R 5.0007 9.5709 120.8907 54.1311 34.5297 174.5008 27 L 5.0901 8.4160 122.6497 53.2099 45.5622 175.0049 28 C 4.5146 8.9117 127.1878 58.5375 31.8140 172.5662 29 P 4.1166 0.0000 0.0000 65.2622 31.2468 176.8433 30 H 4.6797 8.0178 113.9138 56.6378 30.0445 175.2730 31 C 4.6903 7.6585 110.6944 56.6140 30.5648 174.1971 32 S 3.7586 8.8036 113.9492 59.1415 62.1317 172.4398 33 K 4.1256 7.2977 118.1872 57.1140 33.2043 175.9604 34 L 5.1089 8.3021 123.0062 53.6611 44.0228 175.3038 35 C 5.2317 9.2403 119.6132 57.7470 33.1776 173.6049 36 C 4.5598 8.6902 118.3645 59.3784 28.7011 174.2319 37 F 4.4426 8.7877 126.9520 62.0676 38.8624 177.6735 38 S 3.8721 8.1567 111.6938 61.4898 62.0850 175.7828 39 C 4.1398 8.0272 118.7582 63.0514 27.9774 175.8892 40 I 3.8474 8.0587 120.3920 63.8278 37.5163 178.1060 41 R 3.9578 8.2321 117.4136 59.0796 29.3052 178.8447 42 R 3.8082 8.0032 119.5040 58.8268 30.1642 177.9651 43 W 4.1931 8.4888 128.4017 60.8884 30.4368 177.9493 44 L 4.2551 8.1864 117.2575 57.9220 41.0604 179.5446 45 T 4.0167 7.6962 115.0709 66.6340 68.5589 176.5584 46 E 4.0201 8.3545 119.2911 58.4140 29.8759 177.3459 47 Q 4.0726 7.3866 116.2042 53.5869 30.4772 175.4729 48 R 3.8903 8.0012 117.3332 56.9688 31.1477 177.5098 49 A 4.5413 8.3025 122.4587 51.9687 16.2576 176.6982 50 Q 5.1671 7.7204 119.3328 53.1527 33.2941 177.0471 51 C 4.2766 8.9178 123.7203 58.9899 32.2868 172.7523 52 P 4.2506 0.0000 0.0000 64.5580 30.7925 175.1601 53 H 4.3977 7.4497 115.8776 57.8619 31.3510 174.3754 54 C 4.0562 7.8561 113.3370 59.2845 29.5779 174.5488 55 R 3.9185 7.8484 116.3271 56.7727 28.3901 175.8078 56 A 4.4385 7.3121 119.5165 50.2993 20.3850 175.7106 57 P 4.6635 0.0000 0.0000 63.2996 31.9542 175.9495 58 L 4.7948 8.8543 125.7232 53.7733 45.3951 175.2085 59 Q 4.7969 8.5334 123.5374 53.4084 32.0932 176.0751 60 L 4.0304 8.7122 121.1944 58.7217 42.0652 179.7283 61 R 4.0361 7.9364 115.7515 58.9630 30.2405 177.4273 62 E 4.1237 7.9111 115.1974 57.7450 29.5359 176.8483 63 L 4.1947 7.3458 120.3728 54.3808 42.4278 176.8712 64 V 3.7820 8.2912 124.7420 62.2096 32.7999 174.4678 65 N 4.4710 8.6108 127.2886 53.5579 39.4849 174.7885 66 C 3.8138 8.3638 126.2592 58.3485 26.8953 174.8481 67 R 3.8326 7.7203 124.5233 57.9745 30.2816 177.9864 68 W 4.5727 6.7763 112.9903 56.7734 29.2421 177.9714 69 A 4.1951 7.3208 122.6502 55.2464 17.6619 179.2514 70 E 3.8182 8.0532 117.3584 59.3768 29.8591 178.0201 71 E 3.8782 8.3248 118.8886 59.7199 29.4565 178.9104 72 V 3.4809 7.7806 117.5301 66.2235 31.5566 177.9695 73 T 3.8290 8.2705 115.8116 66.8592 68.4258 176.5064 74 Q 4.0102 8.4738 120.1549 59.0848 28.6770 178.9913 75 Q 3.9685 8.1385 118.9697 58.8466 28.7524 178.4996 76 L 3.9301 8.1174 120.4246 57.9458 41.6962 179.0240 77 D 4.3124 8.0878 117.5618 57.8593 41.2754 178.4917 78 T 3.8745 7.7685 115.7439 66.5913 68.2024 176.5292 79 L 3.9847 8.0376 120.1188 58.0900 41.7715 179.3862 80 Q 4.1302 8.3352 116.9841 58.7553 28.8001 178.1664 81 L 4.1546 8.0869 121.4982 58.1527 41.8278 179.3133 82 C 4.6836 7.7329 116.7404 60.6324 28.1210 176.0398 83 S 4.1945 8.2538 120.4540 59.3807 62.3364 177.1462 84 L 4.0650 7.8795 124.1709 55.1500 41.3788 174.2576 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 D 8.22 4.62 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.74 3.85 0.00 2.13 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 2.40 2.43 0.00 4 Q 10.10 4.11 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.87 2.40 0.00 5 S 8.30 4.09 0.00 4.05 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 6 V 7.55 3.62 2.23 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 1.12 0.00 0.00 0.98 0.00 0.00 7 E 8.22 3.95 0.00 2.27 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 2.32 2.41 0.00 8 S 8.24 4.15 0.00 4.06 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 9 I 7.77 3.97 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.06 1.05 0.00 0.00 10 A 8.35 4.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.48 3.88 0.00 2.27 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 2.38 0.00 12 V 7.34 3.53 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 0.25 0.00 0.00 0.91 0.00 0.00 13 F 7.78 4.75 0.00 3.13 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 14 R 7.44 4.81 0.00 1.98 1.83 0.00 3.18 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 15 C 8.84 4.45 0.00 2.96 2.90 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 16 F 8.74 4.26 0.00 2.93 2.96 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 17 I 7.36 3.81 1.88 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 1.13 0.66 0.98 0.00 0.00 18 C 7.38 4.06 0.00 3.07 2.85 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 *20 E 7.91 4.16 0.00 2.06 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 2.30 2.26 0.00 21 K 8.27 4.47 0.00 1.90 1.85 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.49 7.81 22 L 8.35 4.21 0.00 1.72 1.67 1.04 0.82 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 23 R 8.36 4.47 0.00 1.86 1.83 0.00 3.29 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 24 D 8.87 4.30 0.00 2.96 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.57 4.29 1.15 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 0.00 0.00 26 R 9.57 5.00 0.00 1.68 1.76 0.00 3.12 0.00 0.00 2.85 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 27 L 8.42 5.09 0.00 1.62 1.40 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.91 4.51 0.00 2.98 2.71 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 29 P 0.00 4.12 0.00 1.72 2.00 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.15 0.00 30 H 8.02 4.68 0.00 3.12 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 C 7.66 4.69 0.00 3.03 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 32 S 8.80 3.76 0.00 4.10 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 33 K 7.30 4.13 0.00 1.48 1.51 0.00 1.51 0.00 0.00 1.50 0.00 0.00 2.70 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.13 0.80 7.81 34 L 8.30 5.11 0.00 1.52 1.52 0.72 0.85 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 35 C 9.24 5.23 0.00 2.78 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 36 C 8.69 4.56 0.00 3.03 3.01 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 37 F 8.79 4.44 0.00 3.17 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 38 S 8.16 3.87 0.00 3.84 3.83 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 0.00 0.00 0.00 39 C 8.03 4.14 0.00 3.19 3.02 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 40 I 8.06 3.85 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 1.18 0.00 0.00 41 R 8.23 3.96 0.00 2.01 2.05 0.00 2.60 0.00 0.00 2.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 42 R 8.00 3.81 0.00 2.01 2.22 0.00 3.16 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 43 W 8.49 4.19 0.00 3.54 3.31 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 44 L 8.19 4.26 0.00 1.74 1.79 1.03 1.20 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 45 T 7.70 4.02 4.34 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 1.18 0.00 0.00 46 E 8.35 4.02 0.00 1.79 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 2.38 0.00 47 Q 7.39 4.07 0.00 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.85 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 48 R 8.00 3.89 0.00 1.81 1.86 0.00 3.30 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 49 A 8.30 4.54 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 50 Q 7.72 5.17 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 51 C 8.92 4.28 0.00 3.00 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 52 P 0.00 4.25 0.00 1.79 0.49 0.00 3.51 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.25 0.00 53 H 7.45 4.40 0.00 1.40 2.66 0.00 5.74 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 7.86 4.06 0.00 3.12 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 55 R 7.85 3.92 0.00 1.96 2.06 0.00 3.29 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 56 A 7.31 4.44 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.66 0.00 1.93 2.03 0.00 3.57 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 2.01 2.09 0.00 58 L 8.85 4.79 0.00 1.84 1.56 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.53 4.80 0.00 2.28 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.45 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 60 L 8.71 4.03 0.00 1.77 1.77 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.94 4.04 0.00 1.87 1.98 0.00 3.28 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 62 E 7.91 4.12 0.00 2.00 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 0.00 2.37 2.31 0.00 63 L 7.35 4.19 0.00 1.62 1.59 1.10 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.29 3.78 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 0.87 0.00 0.00 0.90 0.00 0.00 65 N 8.61 4.47 0.00 2.58 2.59 0.00 0.00 7.21 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 66 C 8.36 3.81 0.00 2.49 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 67 R 7.72 3.83 0.00 1.75 1.94 0.00 3.18 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 68 W 6.78 4.57 0.00 3.57 3.37 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 69 A 7.32 4.20 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 70 E 8.05 3.82 0.00 2.02 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 2.38 2.37 0.00 71 E 8.32 3.88 0.00 2.16 2.24 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 2.42 2.47 0.00 72 V 7.78 3.48 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 0.12 0.00 0.00 0.95 0.00 0.00 73 T 8.27 3.83 4.41 0.00 0.00 0.00 0.00 0.00 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 74 Q 8.47 4.01 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 75 Q 8.14 3.97 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 76 L 8.12 3.93 0.00 1.97 1.73 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.09 4.31 0.00 2.85 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 78 T 7.77 3.87 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 1.20 0.00 0.00 79 L 8.04 3.98 0.00 1.84 1.73 0.90 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 80 Q 8.34 4.13 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 81 L 8.09 4.15 0.00 2.02 1.76 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 82 C 7.73 4.68 0.00 3.23 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 83 S 8.25 4.19 0.00 3.61 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 84 L 7.88 4.06 0.00 1.77 1.69 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.