NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6072 8.3493 120.3159 52.7968 40.7921 173.9574 3 P 4.6185 0.0000 0.0000 60.4059 33.1244 173.6945 4 L 4.3573 9.0500 122.1481 55.5017 43.5352 179.8148 5 R 3.8838 8.3282 117.3257 60.7976 30.6220 179.2121 6 A 4.0554 7.9720 121.8077 56.0625 18.5512 179.5042 7 Q 3.9805 7.4406 117.3762 60.7864 28.0791 180.3664 8 Q 4.3522 7.8658 118.7458 57.6352 28.6217 178.4868 9 L 3.7870 8.8565 123.2593 58.1091 42.2232 178.4316 10 A 3.8922 7.8703 120.0410 55.3133 18.0841 179.0053 11 A 4.0507 7.3428 117.7833 54.2101 18.5788 178.4370 12 E 4.2471 9.1980 116.3422 56.6546 29.4347 178.1451 13 L 3.7533 8.2284 121.9452 57.0356 41.5211 178.7681 14 E 4.1961 8.0509 116.6513 59.3333 29.8304 178.6877 15 V 3.6498 8.7454 119.6777 65.7915 31.8920 177.0687 16 E 4.0962 7.1894 121.1384 56.2773 26.2143 175.5472 *19 A 4.3053 7.2444 124.6752 51.0498 21.6533 177.7799 20 D 4.3790 7.8429 112.4009 55.7122 42.5051 178.4103 *22 Y 4.5622 7.9133 118.2233 57.4114 39.8756 175.5589 23 N 4.0448 8.1051 116.6507 56.4650 39.2475 177.3581 24 R 3.5473 8.2103 116.9032 58.7142 30.6299 178.3868 *26 T 3.9514 7.9710 115.9245 63.5969 70.2822 176.2025 27 S 4.0360 7.8925 114.8346 61.1833 62.0498 176.0677 28 A 4.0487 7.9374 123.5570 54.9384 18.3635 178.9066 29 C 4.2447 7.8590 114.5139 60.0197 40.2738 175.3984 30 H 4.1340 8.2672 120.2752 59.3112 29.3468 177.2547 31 R 3.7678 7.6951 119.3442 58.5786 29.8850 177.7840 32 K 4.2706 7.4297 117.0279 58.0493 33.0622 177.1002 33 C 4.9414 8.5694 114.0871 55.6792 41.2579 173.8061 34 V 4.1436 7.5438 120.5003 59.7268 32.4084 173.2642 35 P 4.2118 0.0000 0.0000 61.6317 31.7355 175.6950 36 P 4.2328 0.0000 0.0000 64.8219 31.4292 177.2141 37 H 4.3539 7.2914 115.6414 58.1492 29.1654 175.4041 38 Y 3.5304 7.5840 113.7948 58.3902 34.9940 170.2959 39 K 4.0111 8.3136 122.8974 58.9939 32.6714 175.6102 40 E 4.7985 7.8145 112.3979 54.0675 32.7482 175.4857 41 A 4.1702 8.7246 124.1390 55.4835 18.9479 178.9824 42 E 4.2279 7.8875 109.7102 55.5436 30.4347 178.1051 43 L 4.4113 8.2084 118.8073 54.9329 42.4573 178.0886 44 S 4.2455 9.0762 118.7140 58.4151 64.1790 174.3905 45 K 3.8506 8.8480 125.7912 60.5093 31.3912 178.8734 46 G 3.8210 8.1613 106.5781 47.4935 0.0000 174.8107 47 E 4.1275 8.1810 121.0710 59.2256 29.5448 179.7421 48 S 4.1366 8.0325 112.9094 61.1545 62.4463 176.1658 49 V 3.5419 7.9595 121.3095 65.9884 31.3638 176.8685 50 C 4.1264 9.4195 118.5350 59.9388 43.9869 175.6576 51 L 3.9349 8.1912 120.6175 57.8986 40.7117 179.1508 52 D 4.3754 8.0761 118.6325 57.5962 40.8434 179.3317 53 R 3.9540 8.0832 118.2532 59.3171 30.0666 177.9523 54 C 4.1368 8.6163 118.6301 60.0603 43.4179 175.7465 55 V 3.3825 7.8233 118.6002 66.5558 31.1884 177.3257 56 S 4.3494 8.0210 114.6423 60.7438 62.2396 176.3865 57 K 3.8938 8.8413 126.3694 60.2851 31.3628 180.1815 58 Y 4.1569 8.4855 119.8038 60.6626 38.8959 177.8409 59 L 4.1926 8.2281 122.1054 59.2838 41.7180 179.3013 60 D 4.3091 8.2955 118.8523 59.3251 39.3771 180.7429 61 I 3.7964 8.0556 122.3852 64.8827 37.4067 177.7373 62 H 4.2509 8.0780 120.7598 59.3949 29.9449 177.6287 63 E 4.2005 8.5988 123.1577 61.5747 29.6928 183.8755 64 R 4.3270 7.9653 121.9657 58.2608 30.3076 180.8250 *66 G 3.8786 8.2364 111.4525 47.0269 0.0000 176.1273 67 K 3.7382 7.9090 127.0908 60.2451 31.4247 181.0320 68 K 4.0198 8.5155 122.9385 59.9075 31.6628 180.5427 69 L 4.1002 7.9727 119.9414 58.5650 41.9300 179.0221 70 T 4.0052 7.8582 107.7712 64.9359 68.8483 175.1864 71 E 3.9345 8.1607 122.2890 59.1699 29.3045 178.1457 72 L 4.2057 7.8808 117.3357 56.0764 42.2410 177.8331 73 S 4.6463 8.3319 115.1062 58.6206 63.2714 174.3035 *75 Q 4.1262 7.9261 119.2313 56.3121 29.9167 174.9025 76 D 4.7777 8.0756 116.1599 53.5524 40.0563 178.4277 77 E 4.2000 8.0087 113.2240 56.5430 28.9197 181.4735 78 E 4.0182 8.5178 117.0095 58.4763 27.9848 174.9754 79 L 4.3405 7.2204 121.3828 55.2369 41.7400 178.5451 *81 K 4.4047 7.9566 122.1425 54.9755 34.4968 179.7440 82 R 4.3157 8.3711 115.2821 58.2502 29.9156 183.5774 83 V 3.8479 7.7924 118.0897 66.3650 31.8133 177.7728 84 Q 4.3824 8.0535 115.4275 55.8291 28.2054 179.9096 85 Q 4.5901 7.9334 117.0777 58.0431 31.4464 177.9073 86 S 4.2794 7.8500 113.3550 60.9855 62.4736 180.6806 87 S 4.0639 7.6861 112.3148 58.3999 61.9911 172.2749 88 G 3.6487 7.4872 113.5739 45.8860 0.0000 174.4028 89 P 3.8450 0.0000 0.0000 63.8748 29.8820 176.0932 90 A 4.1463 8.1789 124.2688 53.3124 18.2090 177.7730 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 8.35 4.61 0.00 2.80 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 3 P 0.00 4.62 0.00 2.27 2.07 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 4 L 9.05 4.36 0.00 1.74 1.66 0.92 0.95 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 5 R 8.33 3.88 0.00 1.88 1.96 0.00 3.38 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 6 A 7.97 4.06 1.31 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 0.00 0.00 7 Q 7.44 3.98 0.00 2.30 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 8 Q 7.87 4.35 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 9 L 8.86 3.79 0.00 1.70 1.77 0.92 -0.00 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 10 A 7.87 3.89 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 11 A 7.34 4.05 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 12 E 9.20 4.25 0.00 2.07 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 2.28 2.56 0.00 13 L 8.23 3.75 0.00 1.70 1.78 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.05 4.20 0.00 2.08 2.10 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 2.34 2.31 0.00 15 V 8.75 3.65 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 0.73 0.00 0.00 0.92 0.00 0.00 16 E 7.19 4.10 0.00 2.15 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 2.34 2.27 0.00 *19 A 7.24 4.31 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 20 D 7.84 4.38 0.00 2.72 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 *22 Y 7.91 4.56 0.00 2.89 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 23 N 8.11 4.04 0.00 2.92 2.75 0.00 0.00 7.12 8.36 0.00 0.00 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 R 8.21 3.55 0.00 1.88 1.92 0.00 3.36 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.85 0.00 *26 T 7.97 3.95 4.13 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 1.05 0.00 0.00 27 S 7.89 4.04 0.00 3.83 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 28 A 7.94 4.05 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.86 4.24 0.00 2.86 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 30 H 8.27 4.13 0.00 3.25 3.45 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.70 3.77 0.00 1.97 1.92 0.00 3.29 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 32 K 7.43 4.27 0.00 1.88 1.82 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.61 7.81 33 C 8.57 4.94 0.00 2.98 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 34 V 7.54 4.14 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 0.61 0.00 0.00 0.93 0.00 0.00 35 P 0.00 4.21 0.00 1.97 2.01 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 36 P 0.00 4.23 0.00 2.20 2.15 0.00 3.39 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 37 H 7.29 4.35 0.00 3.22 3.39 0.00 5.81 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.58 3.53 0.00 3.08 2.98 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 0.00 0.00 0.00 39 K 8.31 4.01 0.00 1.72 1.89 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.54 7.81 40 E 7.81 4.80 0.00 2.09 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 2.17 2.28 0.00 41 A 8.72 4.17 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 42 E 7.89 4.23 0.00 2.00 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 2.23 1.90 0.00 43 L 8.21 4.41 0.00 1.64 1.65 0.93 0.86 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 44 S 9.08 4.25 0.00 3.87 3.73 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 0.00 0.00 0.00 0.00 45 K 8.85 3.85 0.00 1.98 2.04 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.48 7.81 46 G 8.16 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.18 4.13 0.00 2.19 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 2.38 2.40 0.00 48 S 8.03 4.14 0.00 3.91 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 49 V 7.96 3.54 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 0.94 0.00 0.00 0.93 0.00 0.00 50 C 9.42 4.13 0.00 3.02 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 51 L 8.19 3.93 0.00 1.90 1.70 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.08 4.38 0.00 2.90 2.73 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 0.00 0.00 0.00 0.00 53 R 8.08 3.95 0.00 1.87 1.98 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 54 C 8.62 4.14 0.00 2.99 3.27 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 55 V 7.82 3.38 2.10 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 0.89 0.00 0.00 0.93 0.00 0.00 56 S 8.02 4.35 0.00 4.00 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 57 K 8.84 3.89 0.00 1.74 1.85 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.36 7.81 58 Y 8.49 4.16 0.00 2.96 3.04 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 59 L 8.23 4.19 0.00 1.98 1.75 1.01 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.30 4.31 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.06 3.80 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.16 0.79 0.00 0.00 62 H 8.08 4.25 0.00 2.82 3.46 0.00 5.76 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 63 E 8.60 4.20 0.00 1.99 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 2.24 2.19 0.00 64 R 7.97 4.33 0.00 1.81 1.96 0.00 3.25 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.29 0.00 *66 G 8.24 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.91 3.74 0.00 1.72 1.78 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.37 7.81 68 K 8.52 4.02 0.00 1.76 1.88 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.36 7.81 69 L 7.97 4.10 0.00 1.57 1.78 0.90 0.92 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 70 T 7.86 4.01 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 1.20 0.00 0.00 71 E 8.16 3.93 0.00 2.14 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 0.00 2.30 2.36 0.00 72 L 7.88 4.21 0.00 1.66 1.71 0.91 0.94 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 73 S 8.33 4.65 0.00 3.94 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 *75 Q 7.93 4.13 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 76 D 8.08 4.78 0.00 2.84 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 77 E 8.01 4.20 0.00 1.92 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 2.31 1.91 0.00 78 E 8.52 4.02 0.00 2.06 2.06 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 2.24 2.37 0.00 79 L 7.22 4.34 0.00 1.75 1.58 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *81 K 7.96 4.40 0.00 1.84 1.76 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 82 R 8.37 4.32 0.00 1.68 1.96 0.00 3.23 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.43 0.00 83 V 7.79 3.85 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 0.88 0.00 0.00 0.93 0.00 0.00 84 Q 8.05 4.38 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 85 Q 7.93 4.59 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 86 S 7.85 4.28 0.00 3.71 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 7.69 4.06 0.00 3.78 3.90 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 88 G 7.49 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 3.84 0.00 2.23 2.23 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 90 A 8.18 4.15 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 * Residues marked with a * may have inaccurate shift predictions.