NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7635 8.4201 118.1205 53.4579 41.8985 175.5942 0 A 4.5181 7.5172 123.1597 51.1628 17.2997 178.4902 2 R 4.3298 9.3769 119.1955 56.9385 32.6921 174.6743 3 Q 4.4129 8.1713 121.7227 54.4626 27.9265 175.4793 4 S 4.7002 8.2278 118.2116 57.9382 63.7353 174.2003 5 G 3.8923 7.5787 110.8449 43.7840 0.0000 175.2721 6 S 3.7803 8.4533 115.2726 59.9445 63.8352 174.8366 7 W 4.4277 6.8721 120.9140 55.4902 27.0470 174.7197 *9 T 4.0351 7.2528 109.4849 61.7976 69.9349 175.2039 10 I 3.4736 7.6338 120.4930 63.3463 38.3029 177.7495 11 W 4.3937 7.3531 119.0094 59.1716 28.6305 177.9800 12 D 4.4362 7.8743 119.6064 57.7128 40.2249 178.7066 13 D 4.4373 7.8570 119.1214 57.2926 40.7388 179.0181 14 R 4.1124 7.9399 118.0511 59.4270 30.1709 178.9364 15 I 3.7511 8.4538 119.7532 64.4748 37.0462 178.4448 16 L 4.0553 8.2778 119.9921 57.9972 41.5951 179.5130 17 E 4.0221 8.6739 118.8584 59.4218 29.2853 179.5905 18 I 3.8008 8.1017 120.0337 64.5117 37.1860 178.6117 19 I 3.7571 8.0552 120.8341 64.4243 36.6563 177.8862 20 H 4.1695 8.4196 119.0435 59.3065 29.7706 176.7822 21 E 4.0969 7.9815 117.7812 58.9950 29.7994 178.1584 22 E 4.2610 8.3971 118.3107 56.5893 29.8717 176.7098 23 G 4.4054 9.2183 112.4661 44.8778 0.0000 172.8995 24 N 5.3440 7.5861 114.2266 50.7873 41.0376 173.0615 25 G 5.0128 9.1559 105.2962 45.6527 0.0000 171.7614 26 S 5.1131 8.6584 114.0551 55.3033 66.6336 173.2310 27 P 4.1974 0.0000 0.0000 65.6902 30.7439 178.6162 28 K 3.8456 8.1105 117.9612 59.7831 32.0498 178.4367 29 E 4.0401 8.1381 116.9611 59.1135 29.6197 178.8953 30 L 3.9562 8.1128 120.3191 57.5938 41.4878 178.5291 31 E 3.8615 8.2698 118.6263 59.6887 29.5665 178.2557 32 D 4.5187 7.5932 115.3971 54.7221 41.5494 177.0986 33 R 4.1842 7.3772 120.0477 55.8451 30.7665 177.5944 34 D 4.3925 8.6266 121.1282 57.4555 41.0109 177.6816 35 E 4.2188 8.1594 116.4200 57.5895 29.8912 176.3001 36 I 4.3098 7.3649 120.6493 59.9904 37.7810 175.6560 37 R 4.3318 6.9202 125.1545 55.4835 30.5689 175.6015 38 I 4.2256 6.5729 110.1672 58.1717 40.5653 175.4944 39 S 4.3949 7.9674 115.8341 57.6620 65.0756 174.8696 40 K 3.9104 8.5141 123.2866 59.8516 31.8095 179.0177 41 S 4.1451 7.9472 113.9870 61.3772 63.0368 176.5763 42 S 4.0674 7.8143 118.3685 61.2221 62.5779 176.5236 43 V 3.5326 8.1753 121.3036 66.2730 31.1708 178.0472 44 S 4.0646 8.1151 114.6524 61.7514 62.6998 177.0058 45 R 3.9086 8.0246 120.4651 59.4702 29.8845 179.3998 46 R 4.0110 8.3912 118.1588 59.0816 30.0212 179.0167 47 L 3.6266 8.3256 119.1289 57.6533 41.5476 179.4772 48 K 3.9777 8.0468 119.4862 59.3108 32.0832 178.7676 49 K 3.8799 8.0420 119.8063 59.5847 32.1756 178.7605 50 L 4.1186 8.5012 119.4277 57.9155 41.4658 179.5159 51 A 4.6587 8.1644 122.0404 54.7841 18.1302 179.3475 52 D 4.2676 8.0566 116.6054 57.3294 40.8644 177.7474 53 H 4.4715 7.6069 113.9672 54.6074 28.8296 174.7570 54 D 4.4716 7.7823 118.9415 55.4686 39.1445 174.7136 55 L 4.3666 8.0748 120.9160 55.9705 43.3403 176.4780 56 L 5.5709 7.9255 117.3958 52.7507 46.6458 175.2897 57 Q 4.9493 9.1832 118.0498 53.8114 32.0243 172.5769 58 P 4.1143 0.0000 0.0000 62.5745 32.2863 175.5083 59 L 4.7413 8.6012 124.4642 52.1660 44.5385 175.9294 60 A 3.9425 8.3427 121.6860 54.0738 18.7048 177.0872 61 N 3.8289 9.1015 116.1270 54.7202 35.5616 175.2331 62 G 3.9105 8.2257 102.0821 46.3225 0.0000 173.9442 63 V 4.2910 7.1599 118.6374 62.1082 32.9737 174.5938 64 Y 5.2254 9.1831 124.8802 56.4050 41.3656 174.8623 65 V 4.7882 8.4968 120.7233 61.1185 35.5795 174.4493 66 I 4.5278 8.5267 126.1148 61.3798 39.0068 174.9311 67 T 4.5272 8.2056 117.0625 60.0373 71.4381 175.3698 68 E 4.0127 8.8518 120.7968 59.5170 29.2703 179.3942 69 E 3.5337 8.1968 117.3366 59.1581 29.4747 179.3040 70 G 3.6345 8.0853 106.7019 47.5114 0.0000 175.5550 71 E 3.9544 8.5298 121.1712 59.1758 29.5367 179.2690 72 A 4.0946 8.7070 121.1398 55.2310 18.4075 179.0174 73 Y 4.2556 8.3924 118.3343 61.1246 38.7569 178.2469 74 L 3.6498 7.6731 118.2575 57.4072 41.6913 178.3561 75 N 4.7684 7.5248 113.7468 52.3323 38.6558 175.3243 76 G 3.8253 7.7596 107.8502 46.6826 0.0000 174.4342 77 E 4.7511 8.7056 117.5279 55.7591 31.3400 174.9933 78 Y 4.7985 7.7174 121.4305 55.7505 42.4493 173.3222 79 D 4.8534 8.3924 127.1998 53.3578 41.4018 176.6506 80 A 4.3689 9.1223 130.0488 53.8212 18.8841 178.8788 81 G 3.8460 8.1741 104.7028 48.3697 0.0000 175.7861 82 K 3.9754 8.6799 120.1029 56.6878 32.7451 176.8800 83 E 3.6457 8.6777 116.6725 56.2625 26.7285 173.7879 84 R 4.7394 6.3102 113.9130 54.5269 33.6528 175.7880 85 Y 4.7012 8.9047 118.1764 58.1910 38.9236 175.2371 86 I 4.7250 8.7566 116.1222 59.0854 39.9658 175.3607 87 N 4.5801 8.5922 122.3946 53.1170 37.3086 174.0066 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 -1 N 8.42 4.76 0.00 2.72 2.93 0.00 0.00 6.91 6.46 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 A 7.52 4.52 0.94 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 0.00 0.00 2 R 9.38 4.33 0.00 1.60 1.48 0.00 2.97 0.00 0.00 2.68 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.32 0.00 3 Q 8.17 4.41 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 4 S 8.23 4.70 0.00 3.80 3.63 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 5 G 7.58 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 0.00 0.00 0.00 6 S 8.45 3.78 0.00 4.00 4.01 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 0.00 0.00 0.00 7 W 6.87 4.43 0.00 3.40 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 *9 T 7.25 4.04 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 1.28 0.00 0.00 10 I 7.63 3.47 1.49 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.02 -0.33 0.00 0.00 11 W 7.35 4.39 0.00 3.53 3.23 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 12 D 7.87 4.44 0.00 2.72 2.66 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 13 D 7.86 4.44 0.00 2.82 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 14 R 7.94 4.11 0.00 2.21 2.15 0.00 3.35 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 15 I 8.45 3.75 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.81 0.92 0.00 0.00 16 L 8.28 4.06 0.00 1.92 1.83 1.03 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.67 4.02 0.00 2.20 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 2.33 2.48 0.00 18 I 8.10 3.80 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.70 0.95 0.00 0.00 19 I 8.06 3.76 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.84 1.00 0.00 0.00 20 H 8.42 4.17 0.00 3.17 3.61 0.00 5.94 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.98 4.10 0.00 2.22 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 2.51 2.36 0.00 22 E 8.40 4.26 0.00 2.04 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 2.46 2.48 0.00 23 G 9.22 4.41 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 24 N 7.59 5.34 0.00 2.79 2.79 0.00 0.00 5.71 7.00 0.00 0.00 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 G 9.16 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.66 5.11 0.00 3.91 3.98 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 27 P 0.00 4.20 0.00 2.19 2.14 0.00 3.67 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 2.16 2.19 0.00 28 K 8.11 3.85 0.00 1.82 1.82 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.51 7.81 29 E 8.14 4.04 0.00 2.29 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 0.00 2.38 2.65 0.00 30 L 8.11 3.96 0.00 1.93 1.75 0.92 0.63 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 31 E 8.27 3.86 0.00 1.91 2.29 0.00 0.00 0.00 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 2.39 0.00 32 D 7.59 4.52 0.00 2.82 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 33 R 7.38 4.18 0.00 2.03 2.08 0.00 3.47 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 34 D 8.63 4.39 0.00 2.67 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 35 E 8.16 4.22 0.00 2.02 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 2.37 2.45 0.00 36 I 7.36 4.31 1.90 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.95 0.73 0.00 0.00 37 R 6.92 4.33 0.00 1.21 1.72 0.00 3.31 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 38 I 6.57 4.23 1.60 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 0.79 0.38 0.06 0.00 0.00 39 S 7.97 4.39 0.00 4.01 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 40 K 8.51 3.91 0.00 1.81 1.83 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.49 7.81 41 S 7.95 4.15 0.00 4.08 4.09 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 42 S 7.81 4.07 0.00 4.04 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 43 V 8.18 3.53 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 0.99 0.00 0.00 0.90 0.00 0.00 44 S 8.12 4.06 0.00 4.07 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 45 R 8.02 3.91 0.00 2.11 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 46 R 8.39 4.01 0.00 1.92 2.18 0.00 3.37 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 47 L 8.33 3.63 0.00 1.32 0.20 0.73 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.05 3.98 0.00 1.97 1.91 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.64 7.81 49 K 8.04 3.88 0.00 2.14 2.02 0.00 1.55 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.66 1.36 7.81 50 L 8.50 4.12 0.00 1.80 1.77 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.16 4.66 1.60 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 0.00 0.00 52 D 8.06 4.27 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.61 4.47 0.00 2.92 3.22 0.00 5.81 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.78 4.47 0.00 2.77 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 55 L 8.07 4.37 0.00 1.76 1.72 0.83 0.39 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 56 L 7.93 5.57 0.00 1.67 1.73 0.89 0.80 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 57 Q 9.18 4.95 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 58 P 0.00 4.11 0.00 1.79 1.61 0.00 3.70 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 1.88 1.93 0.00 59 L 8.60 4.74 0.00 1.41 1.59 0.91 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.34 3.94 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 61 N 9.10 3.83 0.00 2.88 2.94 0.00 0.00 6.94 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 62 G 8.23 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.16 4.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.99 0.00 0.00 64 Y 9.18 5.23 0.00 2.87 2.84 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 65 V 8.50 4.79 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 1.03 0.00 0.00 1.03 0.00 0.00 66 I 8.53 4.53 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.20 0.98 0.00 0.00 67 T 8.21 4.53 4.41 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 1.30 0.00 0.00 68 E 8.85 4.01 0.00 2.20 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 2.45 2.48 0.00 69 E 8.20 3.53 0.00 1.21 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 2.23 2.24 0.00 70 G 8.09 3.63 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 0.00 0.00 0.00 71 E 8.53 3.95 0.00 2.22 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 2.43 2.59 0.00 72 A 8.71 4.09 1.51 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 73 Y 8.39 4.26 0.00 3.23 3.28 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 74 L 7.67 3.65 0.00 1.74 1.62 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.52 4.77 0.00 2.77 2.82 0.00 0.00 7.03 8.96 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 76 G 7.76 3.83 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 0.00 0.00 0.00 77 E 8.71 4.75 0.00 2.14 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 2.28 2.39 0.00 78 Y 7.72 4.80 0.00 2.78 2.82 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 79 D 8.39 4.85 0.00 2.66 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 9.12 4.37 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.17 3.85 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 0.00 0.00 0.00 82 K 8.68 3.98 0.00 1.65 1.85 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.49 7.81 83 E 8.68 3.65 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 84 R 6.31 4.74 0.00 1.82 1.93 0.00 2.92 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 85 Y 8.90 4.70 0.00 2.98 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 86 I 8.76 4.73 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.88 0.00 0.00 87 N 8.59 4.58 0.00 2.81 2.80 0.00 0.00 6.05 7.56 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 * Residues marked with a * may have inaccurate shift predictions.