NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 D 4.5539 8.2185 120.1931 53.7915 42.7452 176.1932 22 A 3.8259 8.9062 126.4034 55.2027 18.2684 178.7115 23 H 3.9987 8.6447 114.4937 58.8573 29.1051 176.1872 24 V 3.5690 7.8577 119.5548 66.0195 31.4438 177.7303 25 L 3.9956 7.7268 119.5078 58.1498 41.7984 178.5121 26 K 3.8298 8.4167 118.5031 59.7654 31.9970 178.4473 27 S 4.2791 7.8213 114.3432 61.7629 62.9111 176.4903 28 R 4.0572 7.3387 117.6847 58.2734 30.2656 177.8989 29 L 3.8657 7.2755 119.9305 55.4144 41.5526 176.8204 *33 E 4.2884 7.9738 118.5640 53.7341 32.2685 173.2209 34 P 4.7972 0.0000 0.0000 60.6760 34.1500 175.4850 35 A 4.1889 8.2928 120.2118 52.9034 19.1787 176.4689 36 F 5.3636 7.7893 113.3739 56.1171 41.5694 173.8095 37 T 4.8882 9.5763 115.8459 62.1582 73.0369 172.8812 38 I 4.9934 8.5896 125.8524 59.8188 39.6642 174.2955 39 L 4.6333 9.2366 127.5324 52.8871 44.2732 174.9702 40 D 3.8374 8.4985 124.1110 52.4993 41.9960 175.6300 41 V 4.0838 7.8934 119.4626 61.4964 32.7125 176.7156 42 R 4.4914 7.8742 121.7645 54.9260 32.1961 175.7688 43 D 4.5115 8.4871 119.3272 54.2488 41.6079 177.6902 44 R 3.9024 8.7974 122.4034 59.8835 29.7642 178.9858 45 S 4.1650 8.0909 113.3116 61.9588 62.7111 176.5565 46 T 3.9251 7.8549 117.9361 66.3198 68.5557 175.5242 47 Y 4.2955 8.0185 121.5697 60.9516 38.6075 178.0378 48 N 4.4110 8.3592 116.4204 56.3263 38.7040 176.7566 49 D 4.5806 7.8217 119.2960 53.9120 41.3672 176.2936 50 G 4.3654 6.0755 115.2677 45.2611 0.0000 171.2916 51 H 5.0303 7.9843 118.2437 53.9175 33.4800 177.1850 52 I 3.8598 8.7328 123.5340 62.0522 35.4900 179.3755 *54 G 3.9397 9.1955 120.0912 45.7158 0.0000 174.8201 55 A 4.6774 8.3270 123.2769 51.1413 18.8448 176.5080 *57 A 3.5470 8.2312 116.9504 51.6411 19.7829 174.6630 *59 P 4.4118 0.0000 0.0000 62.0521 32.8629 177.7504 60 I 3.6135 8.1629 122.9303 64.3290 38.1271 177.6039 61 E 3.9610 8.3135 118.4822 58.9994 29.5166 177.4716 62 D 4.8794 8.0515 116.2352 53.8939 41.7000 177.6673 63 L 3.8330 7.6381 122.3909 58.4916 41.9350 179.1025 64 V 3.6351 7.7844 117.2566 66.2707 31.4017 177.6530 65 D 4.3527 7.9833 117.7746 57.5838 40.5377 178.8814 66 R 3.9225 8.1547 118.3881 58.9894 30.0028 179.1057 67 A 3.9713 8.4399 121.0434 55.4218 18.2267 179.9676 68 S 4.3575 8.1228 112.6237 61.6609 62.9639 176.7069 69 S 4.3645 8.1258 116.1594 60.0632 63.1167 175.4986 70 S 4.7177 7.7388 115.3116 57.2731 64.1828 173.3108 71 L 4.9352 7.4457 121.0127 52.7490 45.4839 175.6232 72 E 4.4549 8.3904 118.7513 55.4782 30.6285 178.2604 73 K 3.5324 8.3337 120.0632 58.5724 32.2743 178.7467 74 S 4.7077 7.8698 111.5528 58.1113 63.6764 174.3501 75 R 3.9850 7.7243 122.2854 56.5615 30.4895 175.4781 76 D 4.7045 8.5522 124.0022 54.4943 41.8406 175.1899 77 I 4.9975 8.5847 125.2265 59.5705 40.3532 174.3025 78 Y 4.9704 9.1267 124.8639 56.2281 40.2329 174.9753 79 V 5.0747 8.7044 124.1992 61.4338 35.2344 173.8546 80 Y 5.0491 8.3821 122.8774 56.1779 41.5077 174.2566 81 G 4.4861 8.6929 112.5966 43.8696 0.0000 172.1402 82 A 4.1617 9.1257 121.8603 54.4436 18.7715 178.1071 83 G 4.2481 7.5382 100.9803 42.6773 0.0000 173.1903 84 D 4.4640 8.5972 119.0263 57.1946 40.7393 178.9531 85 E 4.0547 8.0546 120.1548 58.9429 29.5873 179.0015 86 Q 3.9696 8.0199 119.1384 59.2780 29.1130 178.0921 87 T 3.8899 8.0474 117.1337 66.7179 68.4233 176.7925 88 S 4.6346 8.4125 117.8769 60.8386 62.9517 176.2775 89 Q 3.9957 8.3065 123.0197 58.8994 28.8190 178.1332 90 A 3.9217 8.0306 121.7092 55.1749 18.4515 179.6552 91 V 3.5017 8.0594 117.1217 66.3520 31.4780 177.9995 92 N 4.3709 8.3791 116.2024 56.1600 38.1191 177.3903 93 L 4.0660 7.7604 120.8474 57.2161 42.0796 179.1931 94 L 4.2606 8.0120 118.8060 57.9835 41.5114 179.8436 95 R 4.3077 8.3007 119.4542 58.7854 30.1734 179.2048 96 S 4.2483 8.5936 113.4524 60.3063 62.5970 175.1291 97 A 4.6639 7.7988 123.3473 51.7732 19.1093 177.6310 98 G 3.7838 8.2977 108.0941 45.5033 0.0000 174.4347 99 F 4.2551 7.9815 119.7083 57.4950 39.2391 176.0460 100 E 4.1690 8.9802 126.1804 58.6378 29.8418 176.8609 101 H 4.8982 7.9094 115.2277 53.3699 30.2683 170.7422 102 V 4.8225 8.0930 120.3012 60.6389 34.0826 174.3181 103 S 4.8176 8.7618 121.9649 56.4772 66.4708 173.0123 104 E 4.5422 8.7488 121.4565 56.1722 31.3544 175.7671 105 L 4.5037 8.8537 124.6347 52.6486 41.9783 175.0872 106 K 4.2020 8.3744 122.4332 57.8018 32.7740 177.7137 107 G 3.9831 8.8293 112.2893 43.8990 0.0000 174.6648 108 G 3.8949 8.1007 108.8709 46.0338 0.0000 174.8091 109 L 3.7562 8.6544 118.5236 58.1109 42.0801 179.4680 110 A 3.9865 8.0682 119.8897 55.3973 17.9517 179.3835 111 A 3.9807 7.9042 118.5971 54.8199 18.3353 179.6634 112 W 4.0633 8.1334 126.7285 60.7299 30.8469 178.4997 113 K 3.8914 8.6079 118.4702 59.2127 31.1882 179.2186 114 A 4.0829 7.7583 120.6225 54.0037 18.2045 178.5543 115 I 4.2104 6.8923 108.9204 60.0212 38.3325 175.7346 116 G 3.7390 7.7767 106.9343 46.8902 0.0000 174.9666 117 G 2.3930 7.3234 108.5310 43.3410 0.0000 172.9059 118 P 4.4336 0.0000 0.0000 62.8578 31.9252 175.3567 119 T 5.0014 8.1563 110.2497 60.4520 72.5289 171.6126 120 E 4.7598 8.9191 121.7280 55.2803 33.9631 174.7396 121 L 4.0015 8.4587 122.3406 56.1221 40.1586 175.3060 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 21 D 8.22 4.55 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.91 3.83 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 23 H 8.64 4.00 0.00 3.24 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.86 3.57 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 1.04 0.00 0.00 0.95 0.00 0.00 25 L 7.73 4.00 0.00 1.83 1.83 0.91 0.22 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 26 K 8.42 3.83 0.00 1.70 1.97 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.49 7.81 27 S 7.82 4.28 0.00 4.09 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 R 7.34 4.06 0.00 1.90 2.00 0.00 3.34 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 29 L 7.28 3.87 0.00 1.66 1.58 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 *33 E 7.97 4.29 0.00 2.01 1.74 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 2.13 1.88 0.00 34 P 0.00 4.80 0.00 2.20 2.11 0.00 3.86 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 35 A 8.29 4.19 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 36 F 7.79 5.36 0.00 3.29 3.17 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 37 T 9.58 4.89 4.29 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 0.00 0.00 1.24 0.00 0.00 38 I 8.59 4.99 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.99 0.95 0.00 0.00 39 L 9.24 4.63 0.00 1.48 1.42 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.50 3.84 0.00 2.57 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 4.08 1.98 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 0.51 0.00 0.00 0.86 0.00 0.00 42 R 7.87 4.49 0.00 1.88 1.88 0.00 3.19 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 43 D 8.49 4.51 0.00 2.72 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.80 3.90 0.00 1.85 1.94 0.00 3.14 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 1.70 1.82 0.00 45 S 8.09 4.17 0.00 4.11 4.14 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 0.00 0.00 0.00 46 T 7.85 3.93 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 1.27 0.00 0.00 47 Y 8.02 4.30 0.00 3.04 3.14 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 0.00 0.00 0.00 48 N 8.36 4.41 0.00 2.99 2.91 0.00 0.00 7.12 8.86 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 49 D 7.82 4.58 0.00 2.77 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 50 G 6.08 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 0.00 0.00 0.00 0.00 51 H 7.98 5.03 0.00 3.35 3.37 0.00 5.28 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.73 3.86 1.55 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.32 -0.08 0.00 0.00 *54 G 9.20 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 0.00 0.00 0.00 55 A 8.33 4.68 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 *57 A 8.23 3.55 -0.04 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 *59 P 0.00 4.41 0.00 2.15 2.04 0.00 3.80 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 60 I 8.16 3.61 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.30 0.88 0.00 0.00 61 E 8.31 3.96 0.00 1.95 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 2.30 2.38 0.00 62 D 8.05 4.88 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 3.83 0.00 1.69 1.73 0.80 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.78 3.64 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 1.06 0.00 0.00 0.95 0.00 0.00 65 D 7.98 4.35 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.92 0.00 1.81 1.93 0.00 3.25 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 67 A 8.44 3.97 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 68 S 8.12 4.36 0.00 3.97 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 69 S 8.13 4.36 0.00 4.05 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 70 S 7.74 4.72 0.00 4.02 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 71 L 7.45 4.94 0.00 2.00 1.76 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.39 4.45 0.00 2.12 1.86 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 2.38 2.40 0.00 73 K 8.33 3.53 0.00 1.62 1.76 0.00 0.79 0.00 0.00 0.71 0.00 0.00 2.64 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.11 7.81 74 S 7.87 4.71 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 75 R 7.72 3.98 0.00 2.18 2.04 0.00 3.35 0.00 0.00 3.49 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 76 D 8.55 4.70 0.00 3.17 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.58 5.00 1.73 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.94 0.83 0.00 0.00 78 Y 9.13 4.97 0.00 2.84 2.81 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 79 V 8.70 5.07 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 0.86 0.00 0.00 80 Y 8.38 5.05 0.00 3.05 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 81 G 8.69 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 0.00 0.00 0.00 0.00 82 A 9.13 4.16 1.35 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 0.00 0.00 0.00 83 G 7.54 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 0.00 0.00 0.00 0.00 84 D 8.60 4.46 0.00 2.72 2.75 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 0.00 0.00 0.00 85 E 8.05 4.05 0.00 1.98 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 2.41 2.18 0.00 86 Q 8.02 3.97 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 87 T 8.05 3.89 4.44 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 1.31 0.00 0.00 88 S 8.41 4.63 0.00 4.03 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.31 4.00 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 90 A 8.03 3.92 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 91 V 8.06 3.50 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 1.02 0.00 0.00 0.98 0.00 0.00 92 N 8.38 4.37 0.00 3.04 2.85 0.00 0.00 7.06 6.32 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 93 L 7.76 4.07 0.00 1.81 1.74 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.01 4.26 0.00 1.82 1.62 0.71 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.30 4.31 0.00 2.04 2.00 0.00 3.15 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 96 S 8.59 4.25 0.00 4.04 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 97 A 7.80 4.66 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 98 G 8.30 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 7.98 4.26 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.98 4.17 0.00 1.72 1.80 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 2.26 2.44 0.00 101 H 7.91 4.90 0.00 3.09 3.13 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.09 4.82 2.07 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 0.76 0.00 0.00 0.95 0.00 0.00 103 S 8.76 4.82 0.00 3.87 3.77 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 0.00 104 E 8.75 4.54 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 2.39 2.35 0.00 105 L 8.85 4.50 0.00 1.86 1.64 0.74 0.98 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 0.00 106 K 8.37 4.20 0.00 1.78 1.80 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 107 G 8.83 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 0.00 0.00 0.00 108 G 8.10 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 0.00 109 L 8.65 3.76 0.00 1.79 1.72 1.04 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.07 3.99 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 0.00 111 A 7.90 3.98 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 0.00 112 W 8.13 4.06 0.00 3.38 3.17 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 0.00 113 K 8.61 3.89 0.00 1.99 1.83 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.70 7.81 114 A 7.76 4.08 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 0.00 115 I 6.89 4.21 1.64 0.00 0.00 0.45 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 0.15 0.80 0.00 0.00 116 G 7.78 3.74 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 0.00 0.00 0.00 117 G 7.32 2.39 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 0.00 118 P 0.00 4.43 0.00 2.30 2.13 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 2.32 2.09 0.00 119 T 8.16 5.00 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 1.44 0.00 0.00 120 E 8.92 4.76 0.00 2.02 1.65 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 2.21 2.22 0.00 121 L 8.46 4.00 0.00 1.77 1.51 0.89 0.91 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 * Residues marked with a * may have inaccurate shift predictions.