NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2524 8.2649 123.5828 52.1717 19.9582 176.9954 3 C 4.5173 8.2398 120.1134 56.0969 30.3634 172.1098 4 P 4.2369 0.0000 0.0000 65.5198 31.4869 177.9156 5 L 3.9642 7.8247 118.3850 58.2989 42.1764 178.7555 6 E 4.0156 8.1159 118.0625 59.1804 29.3497 179.0880 7 K 4.0100 8.3855 119.7640 59.1408 32.2313 178.7708 8 A 4.0024 8.4497 121.6977 55.1437 18.3120 179.5577 9 L 3.9841 8.0678 117.4734 57.9049 41.6296 179.1145 10 D 4.3606 8.0714 117.8721 57.5946 41.1511 178.6542 11 V 3.7074 8.1429 118.7862 66.2569 30.9971 177.9333 12 M 4.2712 8.1740 118.6574 58.3397 31.4952 178.8780 13 V 3.9499 8.0750 118.4080 66.1226 31.8169 178.3730 14 S 4.3548 8.6757 115.4103 61.9254 62.2909 176.8118 15 T 4.0835 8.4122 118.6568 66.3446 68.1402 176.5144 16 F 3.7541 7.9296 122.4200 61.7475 38.9102 177.0462 17 H 4.8418 8.0728 115.4619 57.8389 28.2563 177.6401 18 K 3.8525 8.0019 120.9985 58.7870 31.6487 177.3400 19 Y 4.4451 7.3272 115.8967 58.6570 39.3058 178.0369 20 S 4.0638 7.8873 114.8146 60.5122 63.3829 175.6571 21 G 3.9520 7.3718 107.4643 45.3250 0.0000 174.8778 22 K 4.0506 7.7147 119.6729 58.6019 32.2135 177.0757 23 E 4.6905 8.6863 115.7092 54.9265 34.2774 177.5412 24 G 3.5629 8.5176 107.7847 46.0604 0.0000 174.1592 25 D 4.2939 8.5649 122.6064 54.5200 41.3738 177.6243 26 K 4.1038 8.3091 125.2267 57.6887 32.2617 177.6204 27 F 5.2448 8.5291 116.7527 56.9355 39.3934 174.9372 28 K 5.1347 7.8202 119.0268 54.8704 36.4928 175.6156 29 L 4.8244 8.9801 123.0147 53.2694 43.6457 176.5568 30 N 4.9099 9.1696 122.3433 51.6551 39.4676 176.3720 31 K 3.7681 8.8661 118.1567 59.9067 31.9757 179.2092 32 S 3.9452 7.9553 112.2224 61.4997 62.4910 175.8335 33 E 3.9889 9.3050 121.9930 59.2934 29.1968 179.0070 34 L 3.9394 8.3987 120.7634 58.0656 42.0769 178.9978 35 K 3.9952 8.0114 119.4909 59.4110 32.0265 178.6336 36 E 3.9034 8.1204 118.8243 59.2974 29.3562 179.0303 37 L 2.8286 7.4166 120.1184 57.7451 42.0844 179.0066 38 L 4.0838 7.9186 118.7520 58.2164 41.4129 179.6715 39 T 3.9459 7.7561 114.1982 66.7343 68.5314 176.4926 40 R 4.3076 8.2801 118.3702 57.5858 30.4982 177.7086 41 E 4.7249 8.4268 116.3998 55.8278 32.4174 175.8996 42 L 4.9851 8.1427 119.1974 53.2115 42.3897 176.5831 43 P 4.3842 0.0000 0.0000 65.8848 31.8380 178.9687 44 S 3.9423 8.0921 114.3349 61.2862 63.0763 175.2648 45 F 4.3113 8.2007 121.9127 60.8060 39.4986 175.9239 46 L 3.7700 7.0419 120.7136 54.7486 42.6179 176.2472 *50 T 3.9990 8.1570 113.4799 63.7483 68.3569 173.7869 51 D 4.8439 8.1478 128.8402 52.9787 42.3722 177.6370 52 E 4.2049 8.7783 119.2074 61.0626 29.5508 180.3052 53 A 4.2074 8.0978 119.4012 55.5370 18.7184 179.4358 54 A 3.9075 9.3322 120.2316 55.1403 18.2901 179.9061 55 F 4.0356 8.0538 116.3145 60.7581 38.9361 177.6313 56 Q 3.9611 8.3102 119.1880 59.1394 28.9700 178.0899 57 K 3.8843 8.3764 120.9128 59.2778 32.1345 178.5788 58 L 3.9156 7.7415 120.1374 58.3340 42.2911 178.2809 59 M 3.9956 8.7627 118.6682 58.8075 31.8174 178.1395 60 S 4.0880 8.1890 112.5036 61.4888 62.6978 175.5350 61 N 4.4875 7.8136 117.6572 56.4678 38.3729 177.1664 62 L 4.2339 7.8117 119.2206 56.5145 42.9741 177.9115 63 D 4.8231 7.8258 119.7333 53.1705 38.8644 176.4973 64 S 4.1765 8.2355 118.3291 59.9922 63.3484 175.6884 65 N 4.6297 8.7107 117.1802 52.0102 37.5311 175.1626 66 R 3.9086 7.4062 117.1758 57.8886 28.1464 176.1972 67 D 4.7214 7.9388 110.2486 53.0069 39.6176 176.7159 68 N 4.3715 8.9827 114.9003 54.1818 36.8050 173.4159 69 E 4.9176 7.9976 116.2585 54.7923 34.5127 175.0015 70 V 4.6097 8.7855 122.1747 61.5540 33.1021 175.2605 71 D 5.1765 9.2922 128.5660 52.3975 41.2023 177.2796 72 F 2.9339 8.9351 120.3296 61.2667 39.1785 176.8499 73 Q 3.8471 8.1050 118.4724 59.2637 29.0113 177.8618 74 E 4.0140 9.2488 119.9589 59.4121 29.3842 178.7930 75 Y 4.1822 8.1256 119.8139 60.9400 38.8050 177.7207 76 C 3.6782 7.9491 117.9993 62.6668 28.1214 176.2026 77 V 3.4943 7.5063 119.2765 65.9568 31.1247 177.7238 78 F 4.2687 8.0317 120.1157 61.4565 39.1456 177.1210 79 L 3.3027 7.5651 118.4800 57.6043 41.3069 179.5572 80 S 3.9873 8.0555 115.3977 61.7055 62.8064 176.3095 81 C 4.0377 8.0186 121.3197 62.4859 31.2240 175.7182 82 I 3.5471 7.3057 120.9213 64.2010 36.5848 178.1541 83 A 3.9090 8.0940 121.8584 55.4324 17.9784 179.1805 84 M 3.8855 8.2177 116.2203 58.9924 32.2561 178.3165 85 M 4.1989 7.8896 117.5260 59.1259 32.4672 177.8446 86 C 4.0819 8.2320 116.7134 63.0697 28.2068 175.7342 87 N 4.5459 8.6535 118.8039 56.8140 38.4619 176.5206 88 E 3.8285 8.0035 120.0041 59.2368 29.5294 179.0214 89 F 2.8768 7.7489 120.3734 61.1374 39.1857 177.3266 90 F 4.1483 7.8087 115.6470 60.0032 38.6451 176.1616 91 E 4.5068 7.9451 116.4855 55.8590 30.0109 176.6240 92 G 3.7221 7.8500 104.5804 45.8898 0.0000 174.6043 93 F 3.6482 7.5792 116.2836 57.2971 36.0768 173.6789 94 P 4.4451 0.0000 0.0000 63.0321 31.0171 177.1521 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 A 8.26 4.25 1.27 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 0.00 0.00 0.00 3 C 8.24 4.52 0.00 3.01 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 4 P 0.00 4.24 0.00 2.15 2.12 0.00 3.60 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 2.16 0.00 5 L 7.82 3.96 0.00 1.74 1.65 0.91 0.97 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 6 E 8.12 4.02 0.00 2.06 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 2.41 2.37 0.00 7 K 8.39 4.01 0.00 1.84 1.93 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 8 A 8.45 4.00 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 9 L 8.07 3.98 0.00 1.90 1.78 0.93 0.81 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 10 D 8.07 4.36 0.00 2.89 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 11 V 8.14 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 1.06 0.00 0.00 1.02 0.00 0.00 12 M 8.17 4.27 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 13 V 8.08 3.95 2.19 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 0.99 0.00 0.00 1.17 0.00 0.00 14 S 8.68 4.35 0.00 4.03 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 15 T 8.41 4.08 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 16 F 7.93 3.75 0.00 2.27 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 17 H 8.07 4.84 0.00 3.35 3.38 0.00 5.69 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 18 K 8.00 3.85 0.00 1.76 1.87 0.00 1.65 0.00 0.00 1.19 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.67 1.20 7.81 19 Y 7.33 4.45 0.00 2.71 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 S 7.89 4.06 0.00 3.89 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 21 G 7.37 3.95 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 0.00 0.00 0.00 22 K 7.71 4.05 0.00 2.04 1.84 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.31 7.81 23 E 8.69 4.69 0.00 1.82 1.76 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 2.20 2.34 0.00 24 G 8.52 3.56 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 0.00 0.00 0.00 25 D 8.56 4.29 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.31 4.10 0.00 0.83 1.30 0.00 1.75 0.00 0.00 2.20 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.21 1.10 7.81 27 F 8.53 5.24 0.00 3.11 3.12 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 28 K 7.82 5.13 0.00 1.70 1.78 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.58 7.81 29 L 8.98 4.82 0.00 1.65 1.55 1.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.17 4.91 0.00 2.82 2.94 0.00 0.00 6.50 6.73 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 31 K 8.87 3.77 0.00 1.80 1.84 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.58 7.81 32 S 7.96 3.95 0.00 3.82 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 33 E 9.30 3.99 0.00 2.05 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 0.00 2.37 2.45 0.00 34 L 8.40 3.94 0.00 1.74 1.89 0.94 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.01 4.00 0.00 1.55 1.75 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.35 7.81 36 E 8.12 3.90 0.00 2.24 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 0.00 2.40 2.34 0.00 37 L 7.42 2.83 0.00 1.02 1.59 1.09 0.70 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 38 L 7.92 4.08 0.00 1.97 1.87 1.11 0.92 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 39 T 7.76 3.95 4.49 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 1.27 0.00 0.00 40 R 8.28 4.31 0.00 1.91 2.11 0.00 3.38 0.00 0.00 3.38 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 41 E 8.43 4.72 0.00 2.08 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 0.00 2.32 2.61 0.00 42 L 8.14 4.99 0.00 1.90 1.71 0.85 0.69 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 43 P 0.00 4.38 0.00 2.24 2.47 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 44 S 8.09 3.94 0.00 3.93 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 45 F 8.20 4.31 0.00 2.99 3.30 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 0.00 46 L 7.04 3.77 0.00 1.52 1.55 0.66 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 *50 T 8.16 4.00 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 1.19 0.00 0.00 51 D 8.15 4.84 0.00 2.93 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 52 E 8.78 4.20 0.00 2.00 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 2.31 1.95 0.00 53 A 8.10 4.21 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 54 A 9.33 3.91 1.27 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 0.00 0.00 0.00 55 F 8.05 4.04 0.00 3.29 3.03 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 56 Q 8.31 3.96 0.00 2.37 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 57 K 8.38 3.88 0.00 2.02 1.95 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.46 7.81 58 L 7.74 3.92 0.00 1.99 1.86 1.06 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 59 M 8.76 4.00 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 60 S 8.19 4.09 0.00 4.00 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 61 N 7.81 4.49 0.00 2.92 2.88 0.00 0.00 7.14 7.71 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 62 L 7.81 4.23 0.00 1.56 1.65 0.07 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.83 4.82 0.00 2.88 2.64 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 0.00 0.00 0.00 0.00 64 S 8.24 4.18 0.00 4.03 3.99 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 65 N 8.71 4.63 0.00 2.93 3.11 0.00 0.00 6.88 7.14 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 66 R 7.41 3.91 0.00 1.94 2.05 0.00 3.15 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 67 D 7.94 4.72 0.00 2.82 2.76 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 68 N 8.98 4.37 0.00 2.90 3.01 0.00 0.00 6.63 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 69 E 8.00 4.92 0.00 1.82 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 2.25 2.41 0.00 70 V 8.79 4.61 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 1.08 0.00 0.00 0.96 0.00 0.00 71 D 9.29 5.18 0.00 2.98 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 72 F 8.94 2.93 0.00 2.56 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 73 Q 8.10 3.85 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 74 E 9.25 4.01 0.00 2.23 2.19 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 2.36 2.47 0.00 75 Y 8.13 4.18 0.00 3.14 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 76 C 7.95 3.68 0.00 2.92 2.77 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 77 V 7.51 3.49 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 1.08 0.00 0.00 0.91 0.00 0.00 78 F 8.03 4.27 0.00 3.02 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 79 L 7.57 3.30 0.00 1.43 1.33 0.38 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.06 3.99 0.00 3.92 3.84 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 C 8.02 4.04 0.00 3.10 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 82 I 7.31 3.55 1.62 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.26 0.74 0.00 0.00 83 A 8.09 3.91 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 84 M 8.22 3.89 0.00 1.93 2.41 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 85 M 7.89 4.20 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.75 0.00 86 C 8.23 4.08 0.00 3.24 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 87 N 8.65 4.55 0.00 2.92 3.05 0.00 0.00 7.23 7.19 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 88 E 8.00 3.83 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 2.58 2.54 0.00 89 F 7.75 2.88 0.00 2.95 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 90 F 7.81 4.15 0.00 3.18 3.08 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 0.00 0.00 0.00 0.00 91 E 7.95 4.51 0.00 1.86 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 2.28 2.51 0.00 92 G 7.85 3.72 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 0.00 93 F 7.58 3.65 0.00 3.22 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 94 P 0.00 4.45 0.00 2.19 2.04 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.