NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-4 H 4.6900 8.5445 117.3694 54.8953 29.7356 173.1074 *-3 H 5.1815 7.8750 114.3413 54.2621 31.5385 172.4660 -2 H 4.5850 9.6100 122.2583 55.3800 30.3494 173.9583 -1 H 4.8440 8.3866 119.6154 55.9091 32.6312 174.8474 *0 H 3.7486 8.7894 115.2180 56.7261 27.9982 176.5555 -2 D 4.4950 9.5300 124.4583 54.5800 42.4494 176.1583 -1 L 4.4540 8.1266 123.2154 56.0091 46.0312 178.3474 *0 V 3.1386 8.3994 116.2180 63.9261 31.8982 178.7555 5 E 4.3960 7.9612 119.9665 59.5751 30.3005 178.7639 6 K 3.9559 7.9441 123.0463 59.6815 31.5228 180.6178 7 V 3.7696 7.6599 117.2454 65.8841 31.5133 177.5278 8 K 3.8112 8.0885 118.3228 60.3531 32.0508 177.2543 9 E 3.8905 8.7404 119.7045 58.7806 29.6009 178.1663 10 L 3.3134 8.1856 120.3607 58.7519 42.1504 179.4544 11 C 4.0962 8.0267 116.4655 62.3734 27.7072 176.0986 12 L 3.9687 8.8849 124.3479 58.5757 41.1653 179.7462 13 E 3.9444 8.1959 112.8552 58.7242 29.5951 179.4233 14 L 4.2708 7.6396 117.5692 54.8367 41.4964 176.9854 15 E 3.8246 9.4504 112.7382 56.8885 27.8656 179.2080 16 E 4.4414 8.4870 124.2917 56.6188 28.5369 177.6567 17 E 4.0885 8.3168 122.5441 61.0807 30.1978 177.2552 18 N 4.5536 8.1080 116.9697 55.8270 38.6572 176.8454 19 L 3.8963 8.0626 121.1054 58.5231 42.0512 178.9008 20 A 4.1113 7.7871 121.4050 55.7279 18.2815 180.3232 21 K 3.9878 8.1547 122.0471 59.7176 31.6146 181.4831 22 A 4.2564 8.4455 121.9469 55.3938 18.3654 179.5242 23 I 3.9960 8.0537 120.8605 65.6983 37.2353 179.1447 24 E 4.1169 8.3691 118.8571 61.1754 29.4645 181.3113 25 R 4.2057 8.2469 118.9204 58.7619 30.0565 178.9399 26 F 3.8795 9.1657 123.8940 61.9066 39.2380 177.9598 27 I 3.8052 8.2697 121.5541 65.9437 35.2202 180.5556 28 T 4.2636 7.8554 116.7954 66.9719 68.3728 180.0882 29 L 4.3755 7.4005 126.5844 59.2419 41.4477 180.6124 30 T 4.4102 7.4571 116.6489 64.1563 68.1954 179.7291 *31 H 4.7565 7.8317 121.1788 57.0467 29.8279 180.0350 32 G 3.4083 8.4966 111.7261 49.9208 0.0000 177.1333 33 I 3.3576 7.3359 118.0765 63.2933 35.9123 178.1227 34 E 3.7614 7.4570 123.2807 60.8140 29.9549 179.9753 35 K 4.0362 8.4006 121.5462 57.7318 32.2994 181.0369 36 T 3.9953 7.9885 109.7993 64.3170 68.8352 176.1549 37 R 4.0107 7.8904 119.2156 54.7601 30.6738 175.8344 38 G 3.8139 7.9023 103.9354 44.2414 0.0000 174.3841 39 E 4.4760 9.0699 119.1295 58.4841 29.6153 178.2720 40 A 3.9872 7.9650 120.4198 55.1776 18.3979 179.1897 41 F 4.0085 8.3161 118.4934 61.3594 39.0172 177.0875 42 A 4.1552 7.8672 119.6109 55.0066 18.1068 179.8509 43 K 3.5623 8.2757 117.1039 59.3156 32.2743 179.3626 44 A 3.9860 8.4636 121.3845 55.3148 18.0802 179.8462 45 S 4.0780 7.7958 113.5881 61.8094 62.9749 176.8480 46 I 4.0003 7.5098 121.0278 64.9978 37.0213 178.2146 47 Y 4.7588 8.6971 117.9892 61.1735 37.5303 179.2416 48 G 3.6392 8.2594 106.5108 47.7009 0.0000 175.6521 49 F 4.0184 8.5415 123.5579 60.9807 39.3696 177.1708 50 L 3.8822 8.5760 118.8266 57.0967 41.2641 179.0027 51 E 3.9957 7.9756 119.5931 58.8450 29.6321 178.7519 52 G 3.5336 8.0848 106.1204 48.6092 0.0000 174.9343 53 I 3.4808 7.2215 122.3334 63.6513 37.0248 178.0212 54 L 3.8719 8.1058 120.6358 58.0168 41.5429 180.1586 55 T 4.0393 7.2276 115.3780 66.5952 68.7097 176.6690 56 T 4.1516 7.5010 109.3669 64.0300 69.2312 176.6295 57 L 4.2530 8.0803 122.5438 57.1884 41.6820 179.9379 58 K 4.3540 7.5753 122.2036 56.3342 31.8059 178.1026 *60 K 4.0907 7.9025 117.6203 53.8760 33.9219 176.5966 61 Y 4.7059 7.7755 117.0320 59.4633 42.7120 175.8614 62 S 4.7079 8.2001 115.3062 57.1893 63.2628 172.4650 63 N 4.8490 7.8377 123.3545 52.9286 40.5936 177.4489 64 E 4.2100 8.8155 120.9883 62.1800 29.8120 178.8538 65 K 3.9698 8.2712 123.3568 60.4343 31.4347 180.2291 66 I 3.7123 7.7037 118.3697 64.7280 37.1760 177.4898 67 E 3.9788 8.2926 121.2505 60.5441 29.5534 179.5136 68 T 3.8730 8.0361 114.2964 66.2965 68.4668 177.6769 69 L 4.1086 8.4784 121.8018 57.5372 41.7060 179.1618 70 L 3.9024 8.6898 123.2182 59.3194 41.7001 179.6533 71 N 4.3763 8.0941 117.5399 57.4197 37.7831 178.1373 72 E 4.1308 8.1229 121.3016 59.2055 29.7701 178.7976 73 V 3.3476 8.4702 120.7639 66.7698 31.5443 178.8731 74 K 3.9417 8.3462 123.4665 60.2652 31.4440 181.0752 75 T 4.1245 7.9542 116.2749 66.2885 68.3390 176.8687 76 A 3.9643 7.6195 122.4356 54.9586 18.3098 179.8183 77 R 4.0595 7.9032 116.6226 59.6608 30.2477 179.1654 78 E 4.0356 8.1550 118.3194 59.1442 29.1228 179.2169 79 E 4.0402 8.0276 118.8532 59.5291 29.8691 178.3401 80 T 4.1048 7.7985 114.7684 66.8810 68.6706 175.9366 81 E 4.1338 8.1745 117.5946 57.7637 30.3102 177.3779 82 A 4.0327 7.0623 120.7358 52.5098 18.9452 176.6367 83 L 4.7020 8.1020 121.3000 52.9781 43.3842 176.4012 84 L 4.0808 8.0505 123.3475 58.2436 42.3257 178.2820 85 R 4.1570 7.6938 121.7479 56.5670 29.4226 178.5760 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 H 8.54 4.69 0.00 2.95 2.92 0.00 7.21 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-3 H 7.88 5.18 0.00 2.94 2.79 0.00 7.06 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 9.61 4.58 0.00 3.09 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.39 4.84 0.00 3.14 3.19 0.00 5.85 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *0 H 8.79 3.75 0.00 3.04 2.96 0.00 7.23 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 D 9.53 4.49 0.00 2.52 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 -1 L 8.13 4.45 0.00 1.47 1.65 0.92 1.09 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 *0 V 8.40 3.14 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 0.64 0.00 0.00 0.93 0.00 0.00 5 E 7.96 4.40 0.00 2.24 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 2.35 2.42 0.00 6 K 7.94 3.96 0.00 1.76 1.84 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.08 7.81 7 V 7.66 3.77 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 0.93 0.00 0.00 0.99 0.00 0.00 8 K 8.09 3.81 0.00 1.99 1.87 0.00 1.86 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.67 7.81 9 E 8.74 3.89 0.00 2.02 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 2.28 2.30 0.00 10 L 8.19 3.31 0.00 1.78 1.77 0.86 0.89 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 11 C 8.03 4.10 0.00 3.19 3.10 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 12 L 8.88 3.97 0.00 1.65 1.69 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.20 3.94 0.00 1.98 1.90 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 2.24 1.93 0.00 14 L 7.64 4.27 0.00 1.55 1.11 0.41 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.45 3.82 0.00 2.14 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 2.16 2.13 0.00 16 E 8.49 4.44 0.00 2.03 1.89 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 2.38 2.21 0.00 17 E 8.32 4.09 0.00 1.97 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 2.31 1.97 0.00 18 N 8.11 4.55 0.00 2.74 2.92 0.00 0.00 6.56 6.74 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 19 L 8.06 3.90 0.00 1.73 1.81 0.87 1.04 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 20 A 7.79 4.11 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 K 8.15 3.99 0.00 1.79 1.84 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 22 A 8.45 4.26 1.54 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 0.00 0.00 0.00 23 I 8.05 4.00 2.14 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 1.58 0.93 1.08 0.00 0.00 24 E 8.37 4.12 0.00 1.99 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 2.24 2.22 0.00 25 R 8.25 4.21 0.00 2.03 2.02 0.00 3.13 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 26 F 9.17 3.88 0.00 2.75 2.83 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 27 I 8.27 3.81 1.87 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 1.38 0.80 0.91 0.00 0.00 28 T 7.86 4.26 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 1.21 0.00 0.00 29 L 7.40 4.38 0.00 1.69 1.61 0.92 0.91 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 30 T 7.46 4.41 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 1.21 0.00 0.00 *31 H 7.83 4.76 0.00 2.82 3.08 0.00 7.15 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.50 3.41 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 0.00 33 I 7.34 3.36 1.87 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 1.28 1.09 0.91 0.00 0.00 34 E 7.46 3.76 0.00 1.94 1.93 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 2.30 2.33 0.00 35 K 8.40 4.04 0.00 1.84 1.71 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.25 7.81 36 T 7.99 4.00 4.12 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 1.14 0.00 0.00 37 R 7.89 4.01 0.00 1.25 1.26 0.00 2.24 0.00 0.00 2.81 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 38 G 7.90 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 E 9.07 4.48 0.00 2.05 1.96 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 2.37 2.22 0.00 40 A 7.97 3.99 1.42 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 0.00 0.00 0.00 0.00 0.00 41 F 8.32 4.01 0.00 3.13 2.97 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 42 A 7.87 4.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 3.56 0.00 1.81 1.38 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.07 1.45 7.81 44 A 8.46 3.99 1.24 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 45 S 7.80 4.08 0.00 4.04 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 46 I 7.51 4.00 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.79 1.09 0.00 0.00 47 Y 8.70 4.76 0.00 3.09 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 48 G 8.26 3.64 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 0.00 0.00 0.00 49 F 8.54 4.02 0.00 2.66 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 50 L 8.58 3.88 0.00 1.90 1.69 1.09 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.98 4.00 0.00 2.18 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 2.27 2.45 0.00 52 G 8.08 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.22 3.48 1.72 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 -0.02 0.76 0.00 0.00 54 L 8.11 3.87 0.00 1.65 1.70 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.23 4.04 4.46 0.00 0.00 0.00 0.00 0.00 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 56 T 7.50 4.15 4.23 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 1.25 0.00 0.00 57 L 8.08 4.25 0.00 1.67 1.74 0.77 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.58 4.35 0.00 1.98 2.00 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.46 7.81 *60 K 7.90 4.09 0.00 1.84 1.74 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 61 Y 7.78 4.71 0.00 2.80 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.20 4.71 0.00 3.57 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.84 4.85 0.00 2.70 2.78 0.00 0.00 7.12 7.66 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 64 E 8.82 4.21 0.00 1.97 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 2.31 1.94 0.00 65 K 8.27 3.97 0.00 1.75 1.82 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.14 7.81 66 I 7.70 3.71 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 0.89 0.00 0.00 67 E 8.29 3.98 0.00 2.06 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 2.44 0.00 68 T 8.04 3.87 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 1.21 0.00 0.00 69 L 8.48 4.11 0.00 1.89 1.71 0.97 0.47 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 70 L 8.69 3.90 0.00 1.74 1.89 0.88 0.59 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 71 N 8.09 4.38 0.00 2.86 2.72 0.00 0.00 7.08 7.41 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 72 E 8.12 4.13 0.00 2.23 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 2.21 2.24 0.00 73 V 8.47 3.35 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 0.88 0.00 0.00 0.83 0.00 0.00 74 K 8.35 3.94 0.00 1.77 1.81 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.36 7.81 75 T 7.95 4.12 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 1.20 0.00 0.00 76 A 7.62 3.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 4.06 0.00 2.11 2.03 0.00 3.20 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.72 0.00 78 E 8.15 4.04 0.00 2.16 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 2.33 2.42 0.00 79 E 8.03 4.04 0.00 1.98 2.16 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 2.34 2.43 0.00 80 T 7.80 4.10 4.55 0.00 0.00 0.00 0.00 0.00 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 81 E 8.17 4.13 0.00 2.15 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 0.00 2.56 2.34 0.00 82 A 7.06 4.03 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 83 L 8.10 4.70 0.00 1.65 1.70 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.05 4.08 0.00 1.64 1.65 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.69 4.16 0.00 1.83 1.70 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.