NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.1742 8.1832 117.5449 52.3745 38.7920 174.9806 2 L 4.0100 8.1114 117.6582 57.1052 41.3936 178.9165 3 F 4.3258 8.8670 119.0466 60.7553 39.3262 177.1801 4 Q 4.0944 8.6015 117.6772 58.9025 28.4004 178.4342 5 F 4.5943 8.6567 122.0227 61.3029 39.3245 177.3772 6 G 3.5387 8.5117 105.7352 47.7404 0.0000 175.2025 7 D 4.4383 8.2207 120.3631 57.4936 41.3297 178.2317 8 M 4.5097 8.3697 119.2773 58.6186 31.9013 178.8250 9 I 3.5394 7.9367 120.3333 64.0173 37.1519 178.1871 10 L 4.1597 8.0660 122.7836 57.8328 41.7282 179.1278 11 Q 3.7988 7.8824 116.6009 58.6597 28.6237 178.3782 12 K 4.2371 8.0419 118.3251 57.8403 32.5067 178.2324 13 T 4.5229 8.1882 107.8968 60.3846 70.5143 175.4342 14 G 3.7728 8.0460 109.6709 45.7798 0.0000 173.2322 *16 K 4.3361 7.4068 117.6525 56.1637 33.4088 174.8004 17 E 4.3994 8.4008 120.7398 55.3042 29.8221 177.2125 18 A 4.1615 8.9018 128.0909 55.5538 18.4516 179.5203 19 V 3.7792 7.8003 106.3858 63.6231 31.6969 176.4648 20 H 5.0288 8.2342 116.0092 55.0671 30.1979 174.0119 21 S 4.6854 7.7485 113.5545 59.1109 66.3566 175.3018 22 Y 4.2202 8.6825 118.4949 60.5310 38.9298 178.6581 23 A 4.3329 8.6961 122.9064 54.3135 18.8087 178.3196 24 I 4.8074 8.0783 109.0954 60.5320 38.4145 173.7973 25 Y 4.8622 8.3752 122.5805 57.5172 40.3859 176.3675 26 G 3.8336 8.1098 116.3987 46.4625 0.0000 172.6105 27 C 4.6534 9.2662 115.6530 57.4839 41.1329 174.8371 28 Y 4.3555 8.6345 115.1915 58.4602 40.1121 176.3255 29 C 4.6802 8.9948 116.4773 59.1839 41.2573 174.0675 30 G 4.4914 7.8265 111.2484 45.1502 0.0000 175.2321 31 W 4.6179 8.9997 115.8013 55.4286 29.2780 175.6662 32 G 3.8772 8.3626 109.3056 44.8252 0.0000 171.5241 33 G 3.9023 7.4495 106.3223 45.1162 0.0000 172.9939 34 Q 4.4029 7.1030 114.8257 55.8750 31.4538 174.2323 35 A 4.1750 8.6890 120.2184 52.2847 17.6570 176.5378 36 R 4.6921 8.6121 115.7070 54.8205 31.1805 176.9600 37 A 4.4850 8.9041 128.8515 52.4285 18.6757 178.0206 38 Q 3.9123 8.9134 122.7338 58.3462 29.2623 175.1772 39 D 4.4439 7.2928 114.9086 51.4582 41.9245 175.5658 40 A 3.9928 8.5743 119.7888 55.7410 18.0546 179.8075 41 T 3.8214 8.0021 113.7867 66.9893 68.6475 176.1255 42 D 4.5231 8.8064 120.0323 57.5102 41.1518 178.4636 43 R 3.9954 8.3182 118.7352 59.3175 29.9861 178.2965 44 C 4.2473 8.1843 116.4699 60.3190 41.3949 175.6097 45 C 4.2493 8.0603 118.1950 59.8131 40.1509 175.8804 46 F 4.2420 8.5937 123.4149 60.7170 38.9545 176.9835 47 A 3.6337 8.1390 120.5734 55.0664 18.0542 179.4125 48 Q 3.5384 7.7332 118.0597 59.1790 29.0090 178.0769 49 D 4.2053 7.7486 119.9500 57.5893 40.6003 178.2568 50 C 4.2156 7.3910 115.9490 59.8000 35.6085 175.0085 51 C 4.2857 7.8788 120.1297 59.9800 43.8918 175.3070 52 Y 4.2663 8.3721 118.8555 60.9924 37.1685 178.7486 53 G 3.6553 7.9719 105.6361 46.9412 0.0000 174.8564 54 R 4.4477 7.4927 118.2382 54.9986 30.4575 175.8520 55 V 4.3244 7.3842 120.0496 61.2058 32.9375 174.9243 56 N 4.7529 8.5002 122.7163 54.0680 41.1426 175.9480 *58 D 4.6832 8.2644 115.2706 53.9163 43.0831 173.6762 59 C 4.6584 7.3643 111.9635 53.6280 44.3780 172.2581 *61 N 5.0867 8.3515 116.5840 53.2824 39.2553 172.7497 *68 P 4.0915 0.0000 0.0000 62.2671 33.4088 178.8543 69 K 3.9449 8.1737 119.5006 58.7549 32.1372 177.8507 70 T 4.3932 7.6786 105.4579 60.9321 69.0486 173.9819 71 A 4.0731 7.4455 124.7483 52.1054 17.7175 178.2135 72 T 4.1834 8.2708 120.5847 63.3258 67.8894 174.6124 73 Y 4.7705 7.4651 125.5260 55.8501 40.3884 174.7088 74 T 4.9600 9.5471 116.7091 62.0801 70.7796 173.6411 75 Y 5.4593 8.3934 123.2667 56.0536 41.4284 173.7376 76 S 4.2623 8.9043 113.8190 57.0815 67.2928 172.5691 77 F 5.5386 8.4366 119.3108 55.7945 40.5981 175.2304 78 E 4.6923 9.3036 120.8218 56.3621 32.4151 174.8336 79 N 4.2611 9.8158 117.1942 54.4924 36.2100 175.4599 80 G 3.8862 8.5497 103.6952 45.7714 0.0000 173.1978 81 D 4.9564 8.2002 119.4805 52.2895 43.7674 174.2300 82 I 4.9099 8.1934 121.6518 59.4409 39.3708 175.4264 83 V 4.2850 8.8253 127.8804 61.2868 33.6573 173.7162 84 C 4.8936 8.9073 126.0714 55.8957 40.7073 173.3604 85 G 4.1017 8.6497 111.0341 45.9667 0.0000 173.0863 86 D 4.5819 7.9674 120.3566 54.1856 41.5351 176.9539 *88 N 5.1268 8.4199 117.6283 53.2897 40.8022 175.3526 89 D 4.4591 7.8711 118.1716 53.7509 42.4177 176.4799 90 L 3.9778 8.5458 127.2615 58.1810 41.7388 180.0658 91 C 4.2854 8.2118 117.8871 59.4660 44.7430 175.3570 92 L 3.9797 8.2068 120.7635 57.7091 41.1185 179.4445 93 R 3.7870 8.1649 118.3969 59.3289 30.0393 178.3123 94 A 3.9151 8.0497 120.5735 55.2309 18.3352 179.8262 95 V 3.4897 7.9375 116.7557 66.2171 31.6154 177.3114 96 C 2.9799 7.9971 118.2768 59.4354 42.6600 175.4963 97 E 3.8305 8.2681 120.3026 59.3819 28.9837 178.7029 98 C 4.1904 8.0893 116.6795 60.1057 37.8677 175.9333 99 D 3.8124 8.0574 120.4903 56.9771 40.3462 178.6896 100 R 3.8496 8.2623 119.4318 59.5067 30.0652 178.4023 101 A 3.9455 7.9504 120.2102 55.0638 18.2849 179.5107 102 A 3.8571 8.0194 119.0253 55.2378 18.3888 179.7303 103 A 3.9558 8.6745 119.7929 55.3090 18.4434 179.9418 104 I 3.6417 7.9633 118.3586 64.5824 36.9756 177.7440 105 C 4.5514 7.9790 119.3834 59.2086 40.5884 175.2805 106 L 4.1009 8.3032 121.0239 57.7699 40.9160 179.7399 107 G 3.6526 8.1229 104.8902 47.8872 0.0000 175.2980 108 E 4.2386 8.4535 120.1563 57.9353 29.3984 177.9674 109 N 5.3266 7.6450 114.7363 52.0462 39.6397 176.7632 110 V 3.9117 7.8459 114.3202 63.8980 32.1322 177.9323 111 N 4.4335 8.3798 117.3310 55.0246 37.1686 176.0954 112 T 4.6205 7.7174 107.4696 61.1270 69.1954 173.3703 113 Y 3.9799 8.1862 124.0851 58.2000 39.1296 174.8697 114 D 4.8518 8.9137 126.9044 52.0931 42.7346 176.4599 115 K 4.0259 8.7751 127.2580 59.3219 32.2453 178.8295 116 N 4.3256 8.3057 115.4793 55.3992 38.5523 175.1945 117 Y 4.1293 7.5540 115.7790 57.6602 37.8213 175.0068 118 E 4.3572 7.9530 121.8650 57.3931 30.0660 176.8101 119 Y 3.8406 8.7554 119.9168 59.1109 34.8249 170.3588 120 Y 4.3161 7.6880 125.0943 60.5048 39.1321 178.1127 121 S 4.4034 8.4345 114.3571 61.2385 63.3921 175.8660 122 I 3.5255 7.4543 121.2006 63.9221 37.5447 177.6782 *124 S 4.6841 7.7161 110.5255 58.0001 64.6242 173.1119 125 H 4.3090 7.1873 118.8258 56.3005 30.9430 172.6388 126 C 4.2198 8.8455 113.2749 60.1081 37.1043 173.5691 127 T 4.2782 7.8474 112.9707 63.3974 69.3721 174.7470 128 E 4.3967 7.7814 122.3324 55.1831 31.7018 175.2686 129 E 4.2748 8.5905 121.8413 56.7873 29.8622 176.9302 130 S 5.1866 8.5647 122.6176 57.7560 63.8165 174.1702 131 E 3.8521 8.2157 121.8420 56.4677 29.6009 176.8135 132 Q 4.7523 7.9097 118.9211 54.2214 32.5783 176.2996 133 C 4.5666 9.0745 117.8227 57.4275 41.2748 173.6138 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 8.18 5.17 0.00 3.09 2.95 0.00 0.00 6.14 5.79 0.00 0.00 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 L 8.11 4.01 0.00 1.67 1.77 0.95 0.96 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 3 F 8.87 4.33 0.00 3.31 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 4 Q 8.60 4.09 0.00 1.88 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 5 F 8.66 4.59 0.00 3.35 3.13 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 0.00 6 G 8.51 3.54 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 0.00 7 D 8.22 4.44 0.00 3.03 3.13 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 0.00 8 M 8.37 4.51 0.00 2.29 2.38 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.72 0.00 9 I 7.94 3.54 1.75 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.11 0.87 0.00 0.00 10 L 8.07 4.16 0.00 1.83 1.85 0.91 1.03 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 11 Q 7.88 3.80 0.00 1.93 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.41 1.16 0.00 12 K 8.04 4.24 0.00 1.69 1.84 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.64 1.72 7.81 13 T 8.19 4.52 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 14 G 8.05 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 0.00 0.00 0.00 *16 K 7.41 4.34 0.00 1.89 1.62 0.00 1.02 0.00 0.00 0.96 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.43 7.81 17 E 8.40 4.40 0.00 2.10 1.97 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 2.41 2.33 0.00 18 A 8.90 4.16 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 19 V 7.80 3.78 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 0.77 0.00 0.00 0.80 0.00 0.00 20 H 8.23 5.03 0.00 3.13 3.27 0.00 5.63 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.75 4.69 0.00 3.47 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.22 0.00 3.08 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.70 4.33 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.08 4.81 1.52 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.85 0.86 0.00 0.00 25 Y 8.38 4.86 0.00 3.22 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 26 G 8.11 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 27 C 9.27 4.65 0.00 3.04 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 28 Y 8.63 4.36 0.00 3.34 3.15 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 0.00 0.00 0.00 29 C 8.99 4.68 0.00 3.53 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.83 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 31 W 9.00 4.62 0.00 3.25 3.32 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 32 G 8.36 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 33 G 7.45 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 0.00 0.00 0.00 34 Q 7.10 4.40 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.18 2.44 0.00 35 A 8.69 4.17 1.59 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 0.00 0.00 36 R 8.61 4.69 0.00 1.77 1.85 0.00 3.25 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 37 A 8.90 4.48 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 38 Q 8.91 3.91 0.00 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.66 0.00 0.00 0.00 0.00 0.00 2.09 1.32 0.00 39 D 7.29 4.44 0.00 2.81 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 40 A 8.57 3.99 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 41 T 8.00 3.82 4.43 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 1.01 0.00 0.00 42 D 8.81 4.52 0.00 3.03 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 43 R 8.32 4.00 0.00 2.09 1.98 0.00 3.19 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 44 C 8.18 4.25 0.00 3.15 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.06 4.25 0.00 3.27 3.42 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 46 F 8.59 4.24 0.00 2.43 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 47 A 8.14 3.63 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.73 3.54 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 1.16 1.60 0.00 49 D 7.75 4.21 0.00 2.61 2.64 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 50 C 7.39 4.22 0.00 2.76 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 51 C 7.88 4.29 0.00 2.95 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 52 Y 8.37 4.27 0.00 3.04 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 53 G 7.97 3.66 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 0.00 0.00 0.00 54 R 7.49 4.45 0.00 1.94 1.94 0.00 3.10 0.00 0.00 3.11 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 55 V 7.38 4.32 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 0.76 0.00 0.00 0.92 0.00 0.00 56 N 8.50 4.75 0.00 2.73 2.75 0.00 0.00 7.10 8.08 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 *58 D 8.26 4.68 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 59 C 7.36 4.66 0.00 3.01 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 *61 N 8.35 5.09 0.00 2.70 2.72 0.00 0.00 7.66 7.71 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 *68 P 0.00 4.09 0.00 1.00 0.62 0.00 3.54 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.61 0.00 69 K 8.17 3.94 0.00 1.66 1.78 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.45 7.81 70 T 7.68 4.39 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 1.17 0.00 0.00 71 A 7.45 4.07 1.30 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 0.00 0.00 0.00 72 T 8.27 4.18 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 1.18 0.00 0.00 73 Y 7.47 4.77 0.00 3.27 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.55 4.96 4.32 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 1.22 0.00 0.00 75 Y 8.39 5.46 0.00 2.81 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 76 S 8.90 4.26 0.00 3.77 3.80 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 0.00 0.00 0.00 77 F 8.44 5.54 0.00 2.98 2.99 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 78 E 9.30 4.69 0.00 2.15 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 2.22 2.30 0.00 79 N 9.82 4.26 0.00 2.90 2.94 0.00 0.00 7.02 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 80 G 8.55 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 81 D 8.20 4.96 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 4.91 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.00 0.90 0.00 0.00 83 V 8.83 4.28 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 0.96 0.00 0.00 0.94 0.00 0.00 84 C 8.91 4.89 0.00 2.99 2.93 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 0.00 0.00 0.00 85 G 8.65 4.10 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 0.00 0.00 0.00 86 D 7.97 4.58 0.00 2.74 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 *88 N 8.42 5.13 0.00 2.74 2.92 0.00 0.00 7.23 8.06 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 89 D 7.87 4.46 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.55 3.98 0.00 1.72 1.69 0.91 0.84 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 91 C 8.21 4.29 0.00 2.97 3.06 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 0.00 0.00 0.00 92 L 8.21 3.98 0.00 1.93 1.98 1.01 0.88 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 93 R 8.16 3.79 0.00 1.91 2.07 0.00 3.11 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 94 A 8.05 3.92 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 95 V 7.94 3.49 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 1.03 0.00 0.00 0.85 0.00 0.00 96 C 8.00 2.98 0.00 2.20 2.88 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 97 E 8.27 3.83 0.00 2.06 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 2.42 2.43 0.00 98 C 8.09 4.19 0.00 3.25 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 99 D 8.06 3.81 0.00 2.70 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 0.00 100 R 8.26 3.85 0.00 1.76 2.07 0.00 3.21 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 101 A 7.95 3.95 1.30 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 0.00 0.00 0.00 102 A 8.02 3.86 1.25 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 0.00 103 A 8.67 3.96 1.44 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 0.00 0.00 104 I 7.96 3.64 2.08 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 1.44 0.78 0.92 0.00 0.00 105 C 7.98 4.55 0.00 3.07 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 0.00 106 L 8.30 4.10 0.00 1.58 1.24 0.36 0.50 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 0.00 107 G 8.12 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 0.00 108 E 8.45 4.24 0.00 2.18 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 2.56 0.00 109 N 7.64 5.33 0.00 2.77 2.82 0.00 0.00 7.25 7.75 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 0.00 110 V 7.85 3.91 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.94 0.00 0.00 111 N 8.38 4.43 0.00 2.90 3.11 0.00 0.00 5.82 7.22 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 0.00 112 T 7.72 4.62 4.32 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 1.26 0.00 0.00 113 Y 8.19 3.98 0.00 3.02 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 0.00 114 D 8.91 4.85 0.00 2.70 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 0.00 115 K 8.78 4.03 0.00 1.90 1.93 0.00 1.79 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.95 1.71 7.81 116 N 8.31 4.33 0.00 2.33 2.55 0.00 0.00 6.97 8.12 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 0.00 117 Y 7.55 4.13 0.00 1.62 1.82 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 0.00 118 E 7.95 4.36 0.00 2.14 1.56 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 0.00 2.41 2.40 0.00 119 Y 8.76 3.84 0.00 3.17 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 0.00 120 Y 7.69 4.32 0.00 3.22 2.99 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 0.00 121 S 8.43 4.40 0.00 4.18 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 0.00 122 I 7.45 3.53 1.88 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 1.32 1.14 0.98 0.00 0.00 *124 S 7.72 4.68 0.00 3.83 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 0.00 125 H 7.19 4.31 0.00 2.19 2.78 0.00 5.99 0.00 0.00 0.00 0.00 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.85 4.22 0.00 3.09 3.32 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 0.00 127 T 7.85 4.28 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 0.00 128 E 7.78 4.40 0.00 1.99 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 2.43 2.40 0.00 129 E 8.59 4.27 0.00 1.98 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 2.28 2.35 0.00 130 S 8.56 5.19 0.00 3.83 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 0.00 131 E 8.22 3.85 0.00 1.16 1.12 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 2.06 1.47 0.00 132 Q 7.91 4.75 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.08 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 133 C 9.07 4.57 0.00 2.98 2.95 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 * Residues marked with a * may have inaccurate shift predictions.