NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9988 8.2127 108.0437 46.4411 0.0000 173.2995 3 R 4.9306 8.5655 126.0564 52.8848 31.5301 174.0688 4 F 5.0187 7.9075 119.8666 56.0558 42.1283 172.7951 5 V 4.6540 8.5468 119.2016 60.9374 33.2374 175.4528 6 V 4.7466 9.3365 123.0098 61.0662 34.4405 173.7491 7 W 5.1715 9.4838 135.0000 55.1503 32.1547 174.6991 8 P 4.2583 0.0000 0.0000 65.9245 31.0702 178.6149 9 S 3.8139 6.7058 113.1300 60.8389 62.8676 176.2068 10 E 4.4877 8.5941 120.1499 57.7511 29.5265 177.8573 11 L 4.7686 7.8824 119.3830 55.1261 41.0443 175.2112 12 D 5.1277 7.6165 120.7470 53.5331 41.1814 177.0975 13 S 4.2790 8.6581 122.8514 60.5300 63.2021 175.4593 14 R 4.1307 8.1035 118.6159 57.0488 30.2885 175.9626 15 L 4.6957 7.4245 118.4826 52.4089 44.0436 176.5605 16 S 4.4903 8.2893 116.4379 57.7667 64.3667 175.4022 17 R 4.2947 8.5231 119.0597 58.6911 30.0631 179.2865 18 K 3.9073 7.5761 116.7082 59.4488 32.1762 176.8255 19 Y 4.3554 8.4497 113.4265 57.4164 37.9288 174.8294 20 G 3.6821 7.7671 112.6236 45.5050 0.0000 174.6583 21 R 4.3839 8.0834 121.9732 56.6593 30.8518 176.1760 22 I 4.1857 8.7726 125.1577 62.9698 38.8984 177.1999 23 V 3.8868 7.4893 111.5028 59.9298 32.2952 174.2720 24 P 4.2343 0.0000 0.0000 63.0021 31.6085 177.6154 25 R 3.8704 8.7027 122.7732 59.1327 30.1648 177.6749 26 S 4.3320 7.9551 111.4589 60.7248 63.6123 175.4069 27 I 3.8553 7.7260 120.6219 63.4968 37.3350 176.1896 28 A 4.1981 7.8286 121.0432 52.6693 18.9094 177.4665 29 V 4.4863 8.3931 111.8997 59.1277 35.8836 174.6741 30 E 4.1654 8.7315 123.8401 56.3805 29.9283 177.0539 31 S 3.6042 8.7192 124.2922 58.9192 60.8589 171.1572 32 P 4.4425 0.0000 0.0000 62.8271 32.4019 177.6880 33 R 4.4237 9.3154 122.5785 54.7912 32.6831 177.7211 34 V 3.6397 8.3810 121.5647 66.4847 31.3810 178.3219 35 E 3.9601 8.1856 116.5116 59.5329 29.3090 178.7946 36 E 3.9817 8.0451 118.9688 59.2246 29.5243 179.2415 37 I 3.7925 7.9107 119.8319 64.3354 37.1786 178.6240 38 V 3.6110 8.0331 119.2418 66.0080 31.3179 177.9735 39 R 3.7940 8.2267 118.2890 59.3496 29.8100 178.3443 40 A 4.3275 8.4659 120.4022 55.2459 18.3578 179.3811 41 A 3.8644 8.3972 119.6205 55.4440 18.4674 179.7670 42 E 3.9234 8.3831 117.0493 59.6404 29.3173 179.4660 43 E 4.0580 8.2407 117.7063 59.0187 29.6194 178.4892 44 L 4.0924 7.6221 116.3364 53.8617 41.8142 176.8974 45 K 3.9158 7.5718 117.2563 57.3945 30.0635 175.7823 46 F 4.9596 8.0121 116.9859 57.2690 40.1729 175.2288 47 K 4.3280 8.9453 123.9358 55.5605 33.4312 175.6837 48 V 4.2064 8.4363 128.1980 62.7409 31.4653 175.1501 49 I 4.2278 8.6017 129.5708 63.0997 38.4045 176.5886 50 R 4.6943 7.6057 120.3728 54.8378 33.7757 173.9964 51 V 4.8391 8.3764 124.4918 61.2494 34.3431 173.8520 52 E 4.8581 9.1599 128.7661 54.4839 32.7619 174.1875 53 E 5.2580 8.6682 125.7020 54.9089 33.1696 173.3608 54 D 5.0509 9.8607 126.3109 52.3932 44.3091 174.2832 55 K 5.2653 8.8996 124.5799 54.6374 35.0369 175.3745 56 L 4.8987 9.3636 124.7570 54.0261 44.4801 176.3149 57 N 3.8004 9.0584 114.7726 54.8768 37.9072 174.2993 *67 L 4.2730 7.6009 116.9480 54.3612 43.0074 176.3247 68 R 4.1185 8.7393 123.2807 56.3945 31.1017 175.7068 69 T 5.0912 8.1401 119.9878 61.8792 71.2464 173.8675 70 F 4.8657 9.1903 123.2861 56.0626 43.3637 174.2305 71 G 4.4568 8.8838 108.5861 46.6889 0.0000 171.7436 72 M 5.2641 8.5342 115.4563 54.3676 34.9075 173.9073 73 I 5.0989 8.8469 120.7769 59.6413 41.3981 174.3913 74 V 4.7012 8.8487 126.6985 61.2719 33.5034 174.5282 75 L 5.1577 8.6089 127.1069 52.8361 46.0093 175.0935 76 E 4.9109 9.0170 120.9531 54.6555 31.9863 175.2186 77 S 4.5582 8.6483 119.2011 55.5903 65.1151 172.5448 78 P 4.1593 0.0000 0.0000 64.4954 31.3452 176.1292 79 Y 4.7591 7.0482 115.2616 55.7884 40.2518 175.8254 80 G 3.8155 8.2980 108.0302 43.9910 0.0000 174.6901 81 K 2.5296 7.8339 120.2778 58.8885 32.1279 178.4182 82 S 3.9551 7.7763 112.7969 61.4399 62.3704 175.8970 83 K 3.8954 7.9149 121.5946 59.6328 31.9135 178.7328 84 S 4.4520 8.1909 115.4275 61.6246 62.6798 176.6269 85 L 4.1040 8.4390 122.1409 57.7366 41.3509 179.7129 86 K 3.9562 7.9462 117.8962 59.5561 32.0225 179.4162 87 L 4.0164 8.0679 119.1745 57.7647 41.5146 179.7404 88 I 3.7160 8.1791 119.6978 64.2440 37.0690 178.1841 89 A 3.9827 8.2596 121.9098 55.2883 18.1820 179.4432 90 Q 3.8045 7.9979 117.9593 59.2240 29.0571 178.4213 91 K 3.4630 7.8454 120.5851 59.2338 32.0975 178.9150 92 I 3.7239 7.6449 120.1582 64.1982 37.0309 178.1449 93 R 3.8445 7.9485 119.5936 59.6002 29.8601 178.3200 94 E 3.8790 8.0107 118.1266 59.3876 29.1929 179.3476 95 F 4.5044 7.5052 116.6767 60.8451 39.0879 177.6684 96 R 4.1373 8.0244 116.3783 59.3850 29.9374 179.0589 97 R 3.9515 7.9214 116.9209 57.4196 30.1143 177.0164 98 R 4.2902 7.8995 121.3874 56.6161 30.5798 175.8485 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 G 8.21 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 0.00 0.00 0.00 3 R 8.57 4.93 0.00 1.86 1.81 0.00 3.26 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 4 F 7.91 5.02 0.00 3.11 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 5 V 8.55 4.65 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 0.80 0.00 0.00 1.04 0.00 0.00 6 V 9.34 4.75 2.23 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 1.08 0.00 0.00 1.23 0.00 0.00 7 W 9.48 5.17 0.00 3.42 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 8 P 0.00 4.26 0.00 2.01 2.18 0.00 3.77 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 9 S 6.71 3.81 0.00 2.72 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 10 E 8.59 4.49 0.00 2.14 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 0.00 2.57 2.60 0.00 11 L 7.88 4.77 0.00 1.79 1.83 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.62 5.13 0.00 2.49 2.46 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 13 S 8.66 4.28 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 14 R 8.10 4.13 0.00 1.92 1.95 0.00 3.11 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 15 L 7.42 4.70 0.00 1.70 1.59 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.29 4.49 0.00 4.09 4.06 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 17 R 8.52 4.29 0.00 1.93 2.06 0.00 3.43 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.60 0.00 18 K 7.58 3.91 0.00 1.72 1.97 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.60 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.10 1.29 7.81 19 Y 8.45 4.36 0.00 3.00 3.02 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 0.00 0.00 0.00 20 G 7.77 3.68 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 0.00 0.00 0.00 21 R 8.08 4.38 0.00 1.84 1.92 0.00 3.27 0.00 0.00 3.50 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 22 I 8.77 4.19 2.02 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 1.34 0.84 0.92 0.00 0.00 23 V 7.49 3.89 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 0.71 0.00 0.00 0.95 0.00 0.00 24 P 0.00 4.23 0.00 2.16 1.99 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 25 R 8.70 3.87 0.00 1.76 1.97 0.00 3.23 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 26 S 7.96 4.33 0.00 4.00 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 27 I 7.73 3.86 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.52 0.89 0.00 0.00 28 A 7.83 4.20 1.29 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 0.00 0.00 0.00 29 V 8.39 4.49 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 0.73 0.00 0.00 0.92 0.00 0.00 30 E 8.73 4.17 0.00 1.96 1.83 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 2.25 2.31 0.00 31 S 8.72 3.60 0.00 3.95 3.79 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 0.00 0.00 0.00 0.00 32 P 0.00 4.44 0.00 2.01 1.99 0.00 3.57 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 33 R 9.32 4.42 0.00 1.80 1.82 0.00 3.15 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 34 V 8.38 3.64 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 1.24 0.00 0.00 0.98 0.00 0.00 35 E 8.19 3.96 0.00 2.26 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 2.34 2.46 0.00 36 E 8.05 3.98 0.00 2.27 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 2.44 2.42 0.00 37 I 7.91 3.79 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.86 1.01 0.00 0.00 38 V 8.03 3.61 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 1.03 0.00 0.00 39 R 8.23 3.79 0.00 1.82 1.92 0.00 2.72 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.30 0.00 40 A 8.47 4.33 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.40 3.86 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.38 3.92 0.00 2.16 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 2.34 2.50 0.00 43 E 8.24 4.06 0.00 2.24 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 2.41 2.67 0.00 44 L 7.62 4.09 0.00 0.59 0.70 0.77 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.57 3.92 0.00 1.96 1.95 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.38 7.81 46 F 8.01 4.96 0.00 3.00 2.96 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 47 K 8.95 4.33 0.00 1.84 1.66 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.38 7.81 48 V 8.44 4.21 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 0.85 0.00 0.00 0.97 0.00 0.00 49 I 8.60 4.23 1.95 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 1.05 0.91 0.89 0.00 0.00 50 R 7.61 4.69 0.00 1.84 1.70 0.00 3.12 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 51 V 8.38 4.84 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 0.87 0.00 0.00 0.95 0.00 0.00 52 E 9.16 4.86 0.00 2.06 1.78 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 2.21 2.38 0.00 53 E 8.67 5.26 0.00 2.01 1.79 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 0.00 2.24 2.37 0.00 54 D 9.86 5.05 0.00 2.75 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 55 K 8.90 5.27 0.00 1.68 1.71 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.47 7.81 56 L 9.36 4.90 0.00 1.68 1.61 0.90 0.60 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 57 N 9.06 3.80 0.00 2.90 2.98 0.00 0.00 6.09 7.79 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 *67 L 7.60 4.27 0.00 1.69 1.73 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.74 4.12 0.00 1.89 1.71 0.00 3.21 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 69 T 8.14 5.09 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 1.26 0.00 0.00 70 F 9.19 4.87 0.00 3.00 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 71 G 8.88 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 0.00 0.00 0.00 0.00 72 M 8.53 5.26 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 73 I 8.85 5.10 1.95 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 1.17 0.95 0.98 0.00 0.00 74 V 8.85 4.70 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 0.97 0.00 0.00 0.94 0.00 0.00 75 L 8.61 5.16 0.00 0.89 1.15 1.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 76 E 9.02 4.91 0.00 1.76 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 2.10 2.11 0.00 77 S 8.65 4.56 0.00 2.84 3.71 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 78 P 0.00 4.16 0.00 1.15 1.80 0.00 3.37 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.97 0.00 79 Y 7.05 4.76 0.00 2.99 2.83 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 80 G 8.30 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 81 K 7.83 2.53 0.00 0.79 1.39 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.27 0.99 7.81 82 S 7.78 3.96 0.00 3.86 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 83 K 7.91 3.90 0.00 1.79 1.76 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.19 1.34 7.81 84 S 8.19 4.45 0.00 4.19 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 85 L 8.44 4.10 0.00 1.81 1.75 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.95 3.96 0.00 1.96 1.84 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.65 7.81 87 L 8.07 4.02 0.00 2.03 1.76 0.93 0.59 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 88 I 8.18 3.72 2.15 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.26 1.00 0.00 0.00 89 A 8.26 3.98 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 90 Q 8.00 3.80 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 91 K 7.85 3.46 0.00 1.92 1.46 0.00 1.50 0.00 0.00 1.49 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 0.88 7.81 92 I 7.64 3.72 2.00 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 0.70 0.96 0.00 0.00 93 R 7.95 3.84 0.00 1.93 2.00 0.00 3.05 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 1.59 1.65 0.00 94 E 8.01 3.88 0.00 1.80 1.83 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 2.22 2.45 0.00 95 F 7.51 4.50 0.00 3.16 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 96 R 8.02 4.14 0.00 1.95 2.01 0.00 3.18 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 1.70 1.85 0.00 97 R 7.92 3.95 0.00 1.92 1.99 0.00 3.21 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 98 R 7.90 4.29 0.00 2.02 2.00 0.00 3.20 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.84 0.00 * Residues marked with a * may have inaccurate shift predictions.