NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 N 4.6956 8.3829 118.1255 53.4730 41.0015 177.0771 13 I 3.7669 7.7537 118.7727 64.6747 35.6630 178.5734 14 N 4.5340 8.9439 122.3716 57.6716 37.7289 178.3202 15 N 4.5558 8.0918 118.3617 55.8069 38.7169 177.2299 16 L 3.9251 7.6488 121.0447 57.9219 42.1367 179.1350 17 V 3.5626 7.9516 118.2540 66.0516 31.5452 177.9519 18 K 3.9481 8.3290 120.7486 60.4570 31.6894 179.9810 19 Q 4.0521 8.1693 119.5431 59.9809 28.1557 179.7533 20 A 4.3427 7.9082 121.7550 55.0702 18.6920 179.4857 21 Q 4.1376 8.2677 116.7078 58.8160 28.7189 179.6993 22 K 4.0306 7.8937 117.8159 57.0619 31.9698 178.0745 *24 Q 4.2151 7.9751 118.8691 55.5759 30.6804 176.5682 25 R 4.1005 8.0614 114.2690 59.2100 29.8579 178.8132 26 D 4.5950 8.2701 115.9725 54.7894 40.4266 177.7040 *28 E 4.1891 8.3320 121.8817 56.3201 31.5199 177.8033 29 R 3.8762 8.2563 118.5826 59.3769 30.0147 178.6859 30 V 3.5688 8.0754 118.2746 66.0069 31.3375 177.6662 31 Q 4.0544 8.2624 118.6019 59.8919 28.3472 179.3599 32 E 4.1510 8.0749 118.7300 61.3511 29.7934 180.8983 33 E 4.2451 8.3264 119.9214 59.1246 29.3685 179.4850 34 L 4.0704 8.2231 118.9953 57.4451 41.3486 179.6340 35 K 4.0395 7.7795 119.5510 59.3426 32.0153 178.2257 36 E 4.5077 7.9212 112.6840 56.2343 31.6160 179.1740 37 K 4.4579 8.0626 117.3726 57.1406 33.1542 176.4400 38 T 5.1925 8.4051 112.4535 60.0983 72.2107 173.0651 39 V 4.6581 8.8152 114.9211 59.6287 36.0622 174.2893 40 E 5.2851 8.6761 121.6264 54.6883 32.8801 174.3823 41 A 4.8563 9.0730 126.0182 50.5184 23.5128 174.8314 42 S 5.1972 8.5553 112.4084 56.7426 66.7391 172.3927 43 A 4.8809 8.7501 125.2381 50.1552 23.5869 175.7499 44 G 3.9629 9.3634 104.1595 46.8837 0.0000 174.3579 45 G 4.0419 8.9452 103.1428 46.3262 0.0000 175.6798 46 G 4.2157 8.5390 107.8133 44.0790 0.0000 175.3167 47 A 4.0785 7.7960 122.6319 54.1413 18.7860 177.4798 48 V 4.9016 8.0906 115.9523 61.4573 34.6725 174.8928 49 T 5.0530 9.0008 123.9959 61.7198 72.1965 172.9573 50 V 4.7830 9.1361 126.0832 60.9881 34.7596 174.0999 51 V 4.8586 8.7374 127.2938 61.1211 33.7451 174.1440 52 A 5.3149 8.8551 129.0213 50.2601 22.9356 175.7324 53 T 4.7002 8.7347 110.9856 60.2897 70.2616 176.1918 54 G 3.8086 8.3148 109.7834 47.2997 0.0000 174.5765 55 R 4.4047 7.9495 117.7113 55.2806 30.1495 176.0651 56 K 3.8326 7.8297 115.6948 57.3408 30.3115 174.9620 57 D 4.5603 7.7509 116.9210 53.4915 42.0719 175.0522 58 I 4.4418 8.1271 126.9681 60.5593 37.6998 175.5292 59 K 4.2374 8.9619 128.4982 58.8765 32.8707 176.6900 60 E 4.8070 7.8535 118.6019 54.9011 33.2969 173.7719 61 I 5.0182 8.3333 125.5966 59.8365 40.5830 174.6856 62 T 4.6188 8.9995 123.8215 61.7218 71.2425 173.1371 63 I 4.8663 8.2692 126.8037 59.2272 39.9134 175.5457 64 K 4.3175 9.0985 128.2212 55.2759 32.7698 176.9461 65 P 4.3087 0.0000 0.0000 65.4291 31.4023 178.1151 66 E 3.9492 8.2812 116.1655 58.6672 29.2732 177.9492 67 V 4.1671 7.7365 111.1416 60.7593 31.8061 175.7656 68 V 4.1377 7.6772 121.0834 61.0791 31.4009 174.4743 69 D 4.6621 8.1935 126.5915 51.6166 43.4132 174.2606 70 P 4.3374 0.0000 0.0000 64.9794 31.5179 176.6511 71 D 4.6232 8.6508 118.3538 55.1390 40.4876 176.3716 72 D 4.7784 8.0976 119.1855 53.1638 41.7630 176.2980 73 V 3.8184 7.6120 115.1308 64.0593 32.5277 179.1679 74 E 4.3273 7.5056 120.7504 56.2151 28.7425 178.8741 *76 L 4.1978 8.1389 121.8428 55.3364 44.0957 178.2985 77 Q 4.0063 8.2105 117.4629 59.2546 28.6230 178.9375 78 D 4.3418 8.2926 119.6879 57.5110 40.9316 178.9962 79 L 4.0348 7.8280 118.9142 57.6750 41.6066 179.5063 80 I 3.6912 8.0107 120.0115 64.1907 37.0766 178.0045 81 L 3.9063 8.1767 121.2414 58.1921 41.8387 178.8798 82 A 3.9550 8.0215 120.1733 55.1629 18.3075 179.4770 83 A 3.9072 8.0394 119.2159 55.2196 18.3859 179.9980 84 V 3.5071 8.0732 117.0527 66.3364 31.6523 177.9544 85 N 4.3060 8.2540 116.2067 56.3292 38.2797 177.0739 86 E 3.9157 8.4699 120.5733 59.0043 29.6491 178.5405 87 A 3.9763 8.1801 120.9995 55.3503 18.4668 179.5835 88 L 3.9350 8.1903 117.6239 58.1035 41.6918 180.0809 89 R 3.9678 8.0693 117.9937 59.1771 29.7447 179.3112 90 K 4.0241 8.2035 117.5664 59.0432 32.0605 178.9826 91 A 4.1391 8.0989 120.8117 55.3791 18.6666 178.9606 92 D 4.5288 8.0710 117.3462 57.4890 40.8650 179.2892 93 E 4.0374 7.9893 117.4253 56.6355 29.4964 179.2240 *95 V 4.0011 7.7545 120.0993 63.3979 33.5343 177.3992 96 T 3.8518 7.9956 116.0582 66.6066 68.1244 176.2552 97 A 3.9792 8.0431 122.4219 55.4558 18.2182 179.6192 98 E 3.9591 8.0575 115.0716 59.5376 29.8712 179.2363 99 I 3.8788 7.9674 119.9966 64.4629 37.0307 178.5383 100 S 4.2551 8.2325 117.4854 60.9858 62.3871 176.9763 101 K 4.0800 7.8635 120.2797 58.2608 31.8102 177.7769 102 I 4.3407 7.3288 110.7014 60.4421 37.9273 175.7601 103 T 4.1815 7.5736 118.0006 62.1082 68.6737 173.5779 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 12 N 8.38 4.70 0.00 2.85 2.93 0.00 0.00 7.13 6.44 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 13 I 7.75 3.77 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 1.50 0.65 0.91 0.00 0.00 14 N 8.94 4.53 0.00 2.72 2.87 0.00 0.00 6.88 6.91 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 15 N 8.09 4.56 0.00 2.72 2.89 0.00 0.00 6.75 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 16 L 7.65 3.93 0.00 1.91 1.83 0.92 0.82 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 17 V 7.95 3.56 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 0.98 0.00 0.00 1.00 0.00 0.00 18 K 8.33 3.95 0.00 2.15 1.86 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.46 1.34 7.81 19 Q 8.17 4.05 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 20 A 7.91 4.34 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 0.00 0.00 21 Q 8.27 4.14 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 22 K 7.89 4.03 0.00 1.89 1.92 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.45 7.81 *24 Q 7.98 4.22 0.00 2.22 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 25 R 8.06 4.10 0.00 2.04 2.17 0.00 2.83 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.60 0.00 26 D 8.27 4.60 0.00 2.80 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 *28 E 8.33 4.19 0.00 2.11 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 0.00 2.27 2.31 0.00 29 R 8.26 3.88 0.00 1.96 2.03 0.00 3.32 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 30 V 8.08 3.57 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 1.05 0.00 0.00 0.98 0.00 0.00 31 Q 8.26 4.05 0.00 2.47 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.02 0.00 32 E 8.07 4.15 0.00 2.00 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 2.24 2.23 0.00 33 E 8.33 4.25 0.00 2.14 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 2.33 2.48 0.00 34 L 8.22 4.07 0.00 1.84 1.72 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.78 4.04 0.00 1.95 1.87 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.45 7.81 36 E 7.92 4.51 0.00 1.97 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 2.14 1.87 0.00 37 K 8.06 4.46 0.00 1.72 1.75 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.56 7.81 38 T 8.41 5.19 4.30 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 1.26 0.00 0.00 39 V 8.82 4.66 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 1.00 0.00 0.00 40 E 8.68 5.29 0.00 1.91 1.75 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 2.17 2.37 0.00 41 A 9.07 4.86 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 42 S 8.56 5.20 0.00 3.85 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 43 A 8.75 4.88 1.22 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 0.00 0.00 44 G 9.36 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 0.00 0.00 0.00 45 G 8.95 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.54 4.22 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 0.00 0.00 0.00 47 A 7.80 4.08 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 48 V 8.09 4.90 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 1.05 0.00 0.00 0.93 0.00 0.00 49 T 9.00 5.05 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 1.25 0.00 0.00 50 V 9.14 4.78 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 1.03 0.00 0.00 0.93 0.00 0.00 51 V 8.74 4.86 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 1.03 0.00 0.00 0.93 0.00 0.00 52 A 8.86 5.31 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 53 T 8.73 4.70 4.37 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 1.21 0.00 0.00 54 G 8.31 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 55 R 7.95 4.40 0.00 2.07 1.95 0.00 3.48 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.20 0.00 56 K 7.83 3.83 0.00 1.90 1.88 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.35 7.81 57 D 7.75 4.56 0.00 2.71 2.51 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 58 I 8.13 4.44 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 1.30 0.95 0.96 0.00 0.00 59 K 8.96 4.24 0.00 1.75 1.93 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.38 7.81 60 E 7.85 4.81 0.00 2.13 1.70 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 2.28 1.91 0.00 61 I 8.33 5.02 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 1.34 0.79 0.91 0.00 0.00 62 T 9.00 4.62 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 63 I 8.27 4.87 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 1.34 0.61 0.91 0.00 0.00 64 K 9.10 4.32 0.00 1.69 1.93 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.39 7.81 65 P 0.00 4.31 0.00 2.21 2.31 0.00 3.71 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 2.07 1.96 0.00 66 E 8.28 3.95 0.00 2.09 2.15 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 2.28 2.29 0.00 67 V 7.74 4.17 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 0.68 0.00 0.00 1.02 0.00 0.00 68 V 7.68 4.14 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 0.76 0.00 0.00 0.98 0.00 0.00 69 D 8.19 4.66 0.00 2.64 2.44 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 70 P 0.00 4.34 0.00 2.21 2.16 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 71 D 8.65 4.62 0.00 2.76 2.74 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 0.00 0.00 0.00 72 D 8.10 4.78 0.00 2.60 2.48 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 0.00 73 V 7.61 3.82 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 0.75 0.00 0.00 0.93 0.00 0.00 74 E 7.51 4.33 0.00 2.38 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 2.33 2.29 0.00 *76 L 8.14 4.20 0.00 1.74 1.69 0.98 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 77 Q 8.21 4.01 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 78 D 8.29 4.34 0.00 2.73 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 79 L 7.83 4.03 0.00 1.68 1.71 0.92 0.92 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 80 I 8.01 3.69 1.93 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 1.41 0.72 0.91 0.00 0.00 81 L 8.18 3.91 0.00 1.76 1.89 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.02 3.95 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 83 A 8.04 3.91 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 84 V 8.07 3.51 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 1.11 0.00 0.00 1.00 0.00 0.00 85 N 8.25 4.31 0.00 2.88 2.85 0.00 0.00 6.73 7.28 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 86 E 8.47 3.92 0.00 2.13 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 2.30 2.37 0.00 87 A 8.18 3.98 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 88 L 8.19 3.94 0.00 1.83 1.73 0.92 1.13 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 89 R 8.07 3.97 0.00 2.03 1.98 0.00 3.12 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 90 K 8.20 4.02 0.00 1.88 1.87 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.65 7.81 91 A 8.10 4.14 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 92 D 8.07 4.53 0.00 2.89 2.74 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 0.00 0.00 0.00 93 E 7.99 4.04 0.00 2.29 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 2.33 2.18 0.00 *95 V 7.75 4.00 2.22 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 1.00 0.00 0.00 1.02 0.00 0.00 96 T 8.00 3.85 4.38 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 1.21 0.00 0.00 97 A 8.04 3.98 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 98 E 8.06 3.96 0.00 1.95 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 2.34 0.00 99 I 7.97 3.88 1.99 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 0.80 0.91 0.00 0.00 100 S 8.23 4.26 0.00 4.01 3.92 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 0.00 101 K 7.86 4.08 0.00 1.88 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.60 7.81 102 I 7.33 4.34 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 1.54 0.69 0.91 0.00 0.00 103 T 7.57 4.18 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 1.27 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.