NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.0091 8.1245 120.7855 60.7974 38.9118 176.5016 5 K 4.0240 8.3724 130.2958 51.5089 30.4676 171.4671 *7 S 4.3380 8.7418 121.0283 56.9025 66.4707 172.3867 8 P 4.2110 0.0000 0.0000 66.1233 31.0817 178.8539 9 E 3.9523 8.0968 116.7457 59.3781 29.4120 178.8665 10 E 3.9836 8.1092 118.9266 59.1026 29.7129 178.5771 11 I 3.7055 8.0011 120.1625 64.6807 37.2205 178.6816 12 R 3.9236 8.3520 118.6663 58.8627 29.6737 178.9843 13 A 4.0077 8.0749 120.8673 55.1422 18.5022 179.8461 14 K 3.9870 8.2917 117.1038 59.5341 32.1276 179.2543 15 S 4.1703 8.3619 113.7488 61.7687 62.1609 176.0582 16 Q 4.0173 8.1905 122.1710 59.2955 28.6837 178.5491 17 S 4.1069 7.9739 115.2700 61.5991 62.9788 176.2035 18 Y 3.9169 8.1588 120.2805 60.6094 37.5770 178.5578 19 G 3.6594 8.3370 106.6723 48.0052 0.0000 175.7309 20 Q 4.1087 8.5294 121.3486 58.4898 28.6747 179.0983 21 G 3.6211 8.2331 106.8277 47.7818 0.0000 175.5834 22 S 4.0840 8.1671 115.6713 61.2989 62.4551 175.8861 23 D 4.3803 8.2616 121.6022 57.6051 40.4891 179.0415 24 Q 4.0101 8.2655 118.4103 58.9807 28.6583 178.7249 25 I 3.7429 7.9841 120.9333 64.5759 37.0845 178.7692 26 R 3.9629 8.2738 119.0010 59.1207 29.7944 178.9603 27 Q 4.0440 8.0768 120.8453 58.6525 29.0044 178.2943 28 I 3.7252 7.9861 120.9771 64.2889 37.1240 178.1389 29 L 4.0561 8.3070 121.7353 58.1088 41.5748 179.1004 30 S 4.1644 8.3540 114.3494 61.6868 62.9083 176.1798 31 D 4.3940 8.2867 122.9860 57.0501 40.5479 178.9068 32 L 4.1723 8.4323 119.5474 57.7531 41.5975 179.6467 33 T 3.8060 8.3399 116.2189 66.5976 68.4167 176.9003 34 R 3.9168 7.9587 119.3779 59.0882 30.0043 178.8791 35 A 3.9545 8.0044 120.5944 55.2932 18.4956 179.5856 36 Q 4.0465 8.2994 116.9627 59.1352 28.7548 179.5566 37 G 3.6845 7.8535 106.2646 47.6933 0.0000 175.4806 38 E 3.9378 7.8681 120.7248 58.9834 29.8546 178.6456 39 I 3.6804 7.9289 119.8714 64.2518 36.9944 178.2681 40 A 4.1410 8.2371 121.5883 55.2678 18.0322 179.5896 41 A 4.0306 8.0669 118.1156 54.4635 18.4685 178.5833 42 N 5.0404 7.5519 112.2768 51.7777 39.2652 174.6913 43 W 4.6011 7.5891 131.5018 55.2630 31.1678 175.1855 44 E 4.2099 8.7223 125.3388 57.2606 30.0007 179.1995 45 G 3.8083 8.5575 108.6386 45.3229 0.0000 172.8398 46 Q 4.2535 8.3750 118.0111 55.8861 29.8529 178.1472 47 A 3.8117 7.9244 119.8070 55.5605 18.5080 178.0302 48 F 4.4687 7.2157 115.1264 58.4231 40.2429 177.1531 49 S 4.0165 7.9077 115.2972 62.1947 62.0809 176.1346 50 R 3.6766 7.5440 118.1601 59.1289 29.0324 178.7406 51 F 4.0623 7.2616 117.9913 60.0534 38.9510 177.3349 52 E 4.1091 7.5155 119.6186 58.7369 29.4019 178.9885 53 E 3.9103 8.2348 119.3749 59.5456 29.7828 178.9796 54 Q 3.9992 8.0520 118.0539 58.7638 28.6893 178.4391 55 F 4.0269 8.5864 122.1077 61.5068 39.2445 177.3108 56 Q 4.1522 8.2045 116.5469 58.7723 28.5364 178.0807 57 Q 4.0771 7.8570 119.8672 58.8257 29.4074 177.4935 58 L 4.2776 7.7207 119.1572 56.5038 42.0147 179.0235 59 S 3.9368 7.9894 114.6162 61.1154 62.7072 174.9709 60 P 4.2323 0.0000 0.0000 65.0650 31.0584 178.7331 61 K 4.0282 7.9254 117.1578 59.2111 32.0191 179.3984 62 V 3.6169 7.8168 118.7386 65.7959 31.4404 177.6928 63 E 3.9490 8.4881 119.3882 59.3855 29.4448 179.0114 64 K 4.0457 8.3038 118.5363 59.2501 31.9496 179.2276 65 F 4.1762 8.4312 120.8931 61.2615 39.3749 176.8894 66 A 3.9238 8.3417 120.6075 55.3839 18.1234 179.4284 67 Q 3.8831 8.1864 117.8698 59.1223 29.0597 178.0752 68 L 3.8898 8.1130 121.6243 58.2235 42.0761 178.9545 69 L 3.9793 7.8752 118.9841 57.8617 41.4853 179.4131 70 E 3.9687 8.0195 118.1053 59.3726 29.3865 179.2567 71 E 3.9325 8.1925 118.6900 59.3859 29.4717 179.4605 72 I 3.5031 7.9473 120.2405 63.9446 37.0699 178.1132 73 K 3.7380 7.9696 120.5451 59.9842 32.0215 178.8203 74 Q 4.0186 8.0235 117.8208 58.4947 28.5214 178.3813 75 Q 3.9085 8.0851 120.9495 59.0886 29.0450 178.2109 76 L 3.9098 8.1732 120.4134 57.7964 41.6377 179.1975 77 N 4.3052 8.2039 116.3397 56.6353 38.5312 177.7149 78 S 4.1617 8.1516 116.3759 61.7733 62.7634 176.9704 79 T 3.8447 8.2092 118.5371 66.4470 68.1710 176.5202 80 A 3.9751 8.3515 123.1390 55.3152 18.4821 179.3567 81 D 4.2798 8.1586 117.0443 57.5657 40.6977 179.0110 82 A 4.0055 7.7338 119.9861 55.0499 18.6918 179.5257 83 V 3.6613 8.0786 117.1233 66.2419 31.4089 178.1359 84 Q 4.0241 8.0876 118.1295 58.7837 28.9601 177.2793 85 E 4.4636 7.9274 119.8933 57.0614 29.8038 177.0479 86 Q 4.2628 7.5322 120.7881 54.2147 28.2704 181.7971 87 D 4.6250 8.6503 121.7942 52.5736 39.8107 172.7857 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 4 I 8.12 4.01 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 1.27 1.34 0.90 0.00 0.00 5 K 8.37 4.02 0.00 1.90 1.62 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.33 1.06 7.81 *7 S 8.74 4.34 0.00 4.18 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 8 P 0.00 4.21 0.00 2.17 2.30 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 9 E 8.10 3.95 0.00 2.06 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 2.40 2.43 0.00 10 E 8.11 3.98 0.00 2.04 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 2.39 2.41 0.00 11 I 8.00 3.71 2.01 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 1.52 0.65 0.93 0.00 0.00 12 R 8.35 3.92 0.00 1.85 1.98 0.00 3.13 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 13 A 8.07 4.01 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 14 K 8.29 3.99 0.00 2.04 2.07 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.68 7.81 15 S 8.36 4.17 0.00 3.88 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 16 Q 8.19 4.02 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 17 S 7.97 4.11 0.00 3.93 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 18 Y 8.16 3.92 0.00 3.27 3.19 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 19 G 8.34 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 0.00 0.00 0.00 20 Q 8.53 4.11 0.00 2.08 2.32 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 2.38 2.52 0.00 21 G 8.23 3.62 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 0.00 0.00 0.00 22 S 8.17 4.08 0.00 3.96 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 23 D 8.26 4.38 0.00 2.87 2.72 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 24 Q 8.27 4.01 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 25 I 7.98 3.74 2.12 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.90 1.00 0.00 0.00 26 R 8.27 3.96 0.00 1.87 2.00 0.00 3.14 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 27 Q 8.08 4.04 0.00 2.30 2.26 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 2.37 2.33 0.00 28 I 7.99 3.73 2.03 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 1.44 0.69 0.96 0.00 0.00 29 L 8.31 4.06 0.00 1.89 1.85 0.87 0.98 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 30 S 8.35 4.16 0.00 4.11 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 31 D 8.29 4.39 0.00 2.97 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 32 L 8.43 4.17 0.00 2.03 1.97 1.06 0.89 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 33 T 8.34 3.81 4.48 0.00 0.00 0.00 0.00 0.00 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 34 R 7.96 3.92 0.00 2.04 1.98 0.00 3.14 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 35 A 8.00 3.95 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 36 Q 8.30 4.05 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.79 1.16 0.00 37 G 7.85 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 38 E 7.87 3.94 0.00 1.98 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 2.27 2.31 0.00 39 I 7.93 3.68 1.55 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.75 0.08 0.00 0.00 40 A 8.24 4.14 1.66 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 41 A 8.07 4.03 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 42 N 7.55 5.04 0.00 2.67 2.76 0.00 0.00 6.76 7.64 0.00 0.00 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 W 7.59 4.60 0.00 3.39 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 44 E 8.72 4.21 0.00 2.11 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 2.36 2.37 0.00 45 G 8.56 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 46 Q 8.38 4.25 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 47 A 7.92 3.81 0.97 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 48 F 7.22 4.47 0.00 1.93 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 49 S 7.91 4.02 0.00 3.90 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 50 R 7.54 3.68 0.00 1.73 1.88 0.00 2.64 0.00 0.00 3.00 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.59 0.00 51 F 7.26 4.06 0.00 2.03 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 52 E 7.52 4.11 0.00 2.12 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 2.43 2.23 0.00 53 E 8.23 3.91 0.00 2.04 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 2.26 2.32 0.00 54 Q 8.05 4.00 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 55 F 8.59 4.03 0.00 3.21 3.11 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 56 Q 8.20 4.15 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.74 0.00 0.00 0.00 0.00 0.00 2.70 2.57 0.00 57 Q 7.86 4.08 0.00 2.13 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 58 L 7.72 4.28 0.00 1.58 1.55 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.99 3.94 0.00 3.98 3.75 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 60 P 0.00 4.23 0.00 2.18 2.15 0.00 3.55 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 2.11 2.18 0.00 61 K 7.93 4.03 0.00 1.90 1.83 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.41 7.81 62 V 7.82 3.62 2.13 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 1.07 0.00 0.00 0.87 0.00 0.00 63 E 8.49 3.95 0.00 2.08 2.12 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 2.33 2.38 0.00 64 K 8.30 4.05 0.00 2.05 1.89 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.71 7.81 65 F 8.43 4.18 0.00 3.08 3.22 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 0.00 0.00 0.00 0.00 66 A 8.34 3.92 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 67 Q 8.19 3.88 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 68 L 8.11 3.89 0.00 1.75 1.69 0.88 0.95 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 69 L 7.88 3.98 0.00 1.78 1.88 0.75 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.02 3.97 0.00 2.11 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 2.47 2.49 0.00 71 E 8.19 3.93 0.00 2.13 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 2.30 2.54 0.00 72 I 7.95 3.50 1.57 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.61 -0.08 0.00 0.00 73 K 7.97 3.74 0.00 1.93 2.01 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.70 7.81 74 Q 8.02 4.02 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 75 Q 8.09 3.91 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 76 L 8.17 3.91 0.00 1.77 1.65 0.68 0.49 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 77 N 8.20 4.31 0.00 2.91 2.85 0.00 0.00 7.07 7.18 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 78 S 8.15 4.16 0.00 3.85 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 79 T 8.21 3.84 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 80 A 8.35 3.98 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 81 D 8.16 4.28 0.00 2.89 2.72 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 82 A 7.73 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.08 3.66 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 0.98 0.00 0.00 1.00 0.00 0.00 84 Q 8.09 4.02 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 85 E 7.93 4.46 0.00 2.14 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 2.40 0.00 86 Q 7.53 4.26 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.17 0.00 87 D 8.65 4.63 0.00 2.69 2.47 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 * Residues marked with a * may have inaccurate shift predictions.