NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4256 8.3344 115.4136 58.7641 63.5405 174.2677 6 D 4.6046 8.5901 117.4779 53.0738 42.2550 174.9485 7 K 4.2455 8.5107 119.0591 56.9437 33.5134 176.8327 8 L 3.8980 8.1958 120.8610 56.7058 42.0896 176.6781 9 Y 5.1438 7.3339 115.0096 56.0679 42.0998 174.6729 10 R 5.3004 8.6376 121.0115 54.7117 33.4464 174.6724 11 V 4.9873 8.4083 124.7463 60.1709 34.3870 174.3288 12 E 4.4754 8.5236 119.4368 55.7918 33.4136 173.7785 13 Y 4.8751 8.1333 118.0102 57.1287 38.9493 175.7605 14 A 3.7553 8.8839 126.9193 52.0869 18.8621 178.9025 15 K 4.0197 8.5849 122.2622 58.5623 32.3921 176.5013 16 S 4.5765 7.5552 111.7059 57.2210 65.9515 174.2280 17 G 4.3758 8.5264 107.2556 45.8262 0.0000 174.5435 18 R 4.1398 8.1085 120.2847 57.5654 30.8574 177.2577 19 A 4.2783 7.8531 120.2846 52.1213 19.4227 176.4592 20 S 5.1381 8.4629 116.3956 56.3336 65.5700 173.6137 21 C 4.3715 8.8245 124.1850 59.7059 32.0460 174.2233 22 K 4.1286 8.2343 124.8285 57.2032 32.0053 177.6133 23 K 4.3641 7.9871 119.8398 58.1561 32.9117 176.9448 24 C 4.3516 8.0692 111.9908 58.1870 30.4289 174.6920 25 S 4.3464 8.2221 113.9762 58.2234 62.7579 169.3987 26 E 4.4793 7.7801 120.5674 55.8550 30.7278 176.3353 27 S 4.6724 8.6002 116.2306 58.6602 64.6688 173.8392 28 I 4.3104 8.5608 123.5456 59.1001 38.3347 173.7868 29 P 4.4391 0.0000 0.0000 62.1106 31.8513 176.0908 30 K 4.1161 8.4150 122.1379 57.5515 32.2757 176.7916 31 D 4.6464 8.9653 124.1389 54.6546 39.9553 174.4731 32 S 4.5280 7.7576 114.5211 57.6634 64.7982 173.2692 33 L 4.5453 8.5225 123.8341 55.3466 42.6602 175.8346 34 R 4.9374 8.5936 123.3002 54.7635 33.3172 173.7461 *36 A 5.1228 8.3501 118.2273 52.8251 20.1259 177.0036 37 I 4.5207 7.9921 120.7711 60.2258 41.3198 174.2263 *39 V 3.9728 8.2004 118.4748 62.9554 33.0542 175.8035 40 Q 4.5655 8.4011 125.7520 55.4144 29.3453 175.6723 41 S 4.0887 8.0958 120.4186 56.5535 62.9831 172.5901 42 P 4.3979 0.0000 0.0000 62.3935 31.2731 175.7906 *44 F 4.5896 7.6506 111.6875 57.6275 39.1429 175.3843 45 D 4.5898 8.6553 122.3294 52.8372 39.4069 175.0644 46 G 4.3576 7.4922 107.9294 44.9576 0.0000 169.3290 47 K 4.9344 8.7558 121.1429 54.8533 33.8365 176.0862 48 V 4.3884 9.0088 125.1070 60.6572 33.4095 173.0656 49 P 4.4362 0.0000 0.0000 61.6801 32.8036 175.0202 50 H 4.6189 8.5934 122.0979 54.2896 29.9581 174.6115 51 W 5.1701 8.4225 123.6576 56.2632 30.9285 175.4980 52 Y 5.1683 8.7788 118.3884 55.5672 41.8435 175.5804 53 H 4.4451 8.8856 119.5402 55.9308 30.6046 176.2384 54 F 4.2767 9.1523 125.8732 61.9740 39.0501 177.6123 55 S 4.3903 8.4170 113.0756 61.8105 63.0037 175.9865 56 C 4.3170 8.3079 119.8854 62.3196 27.6719 175.4466 57 F 3.2681 7.8995 121.7220 60.8457 38.8800 176.7703 58 W 4.2400 7.4243 115.3845 58.2024 29.1374 177.7481 59 K 4.3296 7.7686 116.7986 56.9218 31.8991 177.9581 60 V 4.1774 7.3361 111.4260 60.6151 32.5350 176.1505 61 G 3.9025 7.8346 106.9335 45.0788 0.0000 173.8030 62 H 4.1901 6.9724 116.7695 55.6852 29.1415 174.7120 63 S 4.7734 8.1781 116.5213 56.7135 65.4832 173.2637 64 I 4.5608 8.2671 125.9486 60.0675 40.5562 175.2438 65 R 4.0266 8.9885 124.7853 58.6503 30.5277 177.0415 66 H 4.7185 9.4088 120.4867 52.6357 29.4170 172.4942 67 P 4.0498 0.0000 0.0000 65.3993 31.5077 178.3631 68 D 3.9518 7.3806 115.3790 56.0569 38.8626 178.0095 69 V 4.1198 7.4973 110.2916 61.7529 32.5780 176.7408 70 E 4.2083 8.5603 119.5522 57.1624 30.0028 175.7619 71 V 4.6148 7.7870 119.2159 60.5027 32.4201 174.2565 72 D 4.4472 8.9480 128.8519 55.8396 41.6225 177.1862 73 G 4.2125 9.0698 114.4040 46.0258 0.0000 174.8627 74 F 4.0769 8.2555 122.7676 61.2916 39.4048 177.1417 75 S 4.2370 8.1995 112.2571 60.0908 63.2103 174.2505 76 E 4.3886 7.9547 120.0325 56.4742 29.7435 176.2561 77 L 4.3915 7.2418 118.9418 53.8969 42.6117 177.6936 78 R 4.1388 8.8129 120.2935 56.0270 31.9631 177.7397 79 W 4.2377 8.9827 131.6268 61.0504 30.6341 177.8041 80 D 4.3589 8.3599 117.9804 57.9461 40.2255 178.7716 81 D 4.3232 7.9657 118.0435 56.7667 40.9346 178.7358 82 Q 3.5422 7.6490 118.9858 58.9767 28.5296 178.8300 83 Q 3.8490 7.5429 118.9264 58.3546 28.5838 178.5832 84 K 3.8313 7.8288 120.7892 59.4450 32.2846 178.8358 85 V 3.9826 7.9523 118.6481 66.1818 31.4890 177.8480 86 K 3.9292 8.2866 119.1925 59.3406 32.0250 178.6630 87 K 4.0152 8.3453 120.2390 59.9736 31.9474 179.0490 88 T 3.5826 7.9956 114.8750 66.0027 68.2411 176.5287 89 A 3.8221 7.5139 122.2085 55.1396 18.5667 179.1865 90 E 3.9619 7.7903 115.5813 59.2863 29.5637 177.7298 91 A 4.2101 7.6325 124.3571 52.2922 18.6357 176.9576 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 5 S 8.33 4.43 0.00 4.00 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 6 D 8.59 4.60 0.00 2.67 2.65 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 7 K 8.51 4.25 0.00 1.82 1.97 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.21 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.42 7.81 8 L 8.20 3.90 0.00 0.84 0.64 0.71 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.33 5.14 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.64 5.30 0.00 1.72 1.62 0.00 3.27 0.00 0.00 3.58 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 11 V 8.41 4.99 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 0.92 0.00 0.00 12 E 8.52 4.48 0.00 2.02 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 0.00 2.02 2.07 0.00 13 Y 8.13 4.88 0.00 2.92 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 14 A 8.88 3.76 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 15 K 8.58 4.02 0.00 1.69 1.86 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.39 7.81 16 S 7.56 4.58 0.00 3.90 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 17 G 8.53 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 0.00 0.00 0.00 18 R 8.11 4.14 0.00 1.78 1.99 0.00 3.17 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 19 A 7.85 4.28 1.15 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 0.00 0.00 20 S 8.46 5.14 0.00 4.03 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 21 C 8.82 4.37 0.00 2.92 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 22 K 8.23 4.13 0.00 0.83 1.60 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.27 7.81 23 K 7.99 4.36 0.00 1.91 2.06 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.48 7.81 24 C 8.07 4.35 0.00 3.18 3.12 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 0.00 0.00 0.00 25 S 8.22 4.35 0.00 4.22 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 26 E 7.78 4.48 0.00 2.05 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 2.46 2.30 0.00 27 S 8.60 4.67 0.00 4.06 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 28 I 8.56 4.31 1.76 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.11 0.86 0.00 0.00 29 P 0.00 4.44 0.00 2.20 2.00 0.00 3.70 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 30 K 8.42 4.12 0.00 1.68 1.72 0.00 1.68 0.00 0.00 0.77 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 31 D 8.97 4.65 0.00 2.83 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 32 S 7.76 4.53 0.00 3.99 4.03 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 33 L 8.52 4.55 0.00 1.71 1.64 0.64 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.59 4.94 0.00 2.10 1.97 0.00 2.21 0.00 0.00 2.62 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.17 0.00 *36 A 8.35 5.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.99 4.52 1.79 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.31 1.07 0.00 0.00 *39 V 8.20 3.97 1.95 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 0.85 0.00 0.00 0.87 0.00 0.00 40 Q 8.40 4.57 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 41 S 8.10 4.09 0.00 3.05 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 42 P 0.00 4.40 0.00 2.16 2.03 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 *44 F 7.65 4.59 0.00 3.18 3.12 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 0.00 0.00 0.00 45 D 8.66 4.59 0.00 2.68 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 46 G 7.49 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.76 4.93 0.00 1.62 1.66 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.35 7.81 48 V 9.01 4.39 1.95 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 0.70 0.00 0.00 0.94 0.00 0.00 49 P 0.00 4.44 0.00 0.74 0.92 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 50 H 8.59 4.62 0.00 3.09 3.08 0.00 5.60 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.42 5.17 0.00 3.25 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 52 Y 8.78 5.17 0.00 3.10 2.94 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 53 H 8.89 4.45 0.00 3.41 3.40 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.15 4.28 0.00 3.27 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 55 S 8.42 4.39 0.00 4.22 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 0.00 56 C 8.31 4.32 0.00 3.38 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 57 F 7.90 3.27 0.00 2.77 2.51 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 58 W 7.42 4.24 0.00 3.25 3.18 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 59 K 7.77 4.33 0.00 1.86 1.85 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.72 7.81 60 V 7.34 4.18 1.84 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 0.78 0.00 0.00 0.19 0.00 0.00 61 G 7.83 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 62 H 6.97 4.19 0.00 1.70 2.16 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.18 4.77 0.00 3.76 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 64 I 8.27 4.56 2.02 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.24 0.88 0.00 0.00 65 R 8.99 4.03 0.00 1.49 1.78 0.00 3.28 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 66 H 9.41 4.72 0.00 2.96 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.05 0.00 1.27 1.85 0.00 3.47 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 68 D 7.38 3.95 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 69 V 7.50 4.12 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 0.72 0.00 0.00 1.00 0.00 0.00 70 E 8.56 4.21 0.00 2.10 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 2.37 2.43 0.00 71 V 7.79 4.61 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 1.00 0.00 0.00 0.86 0.00 0.00 72 D 8.95 4.45 0.00 2.80 2.65 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 73 G 9.07 4.21 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 0.00 74 F 8.26 4.08 0.00 3.09 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 75 S 8.20 4.24 0.00 4.10 4.16 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 0.00 0.00 0.00 0.00 76 E 7.95 4.39 0.00 2.23 2.05 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 2.32 2.35 0.00 77 L 7.24 4.39 0.00 1.40 1.50 0.73 0.31 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 78 R 8.81 4.14 0.00 1.93 1.92 0.00 3.09 0.00 0.00 2.91 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 79 W 8.98 4.24 0.00 3.42 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 80 D 8.36 4.36 0.00 2.75 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 81 D 7.97 4.32 0.00 2.83 2.60 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 82 Q 7.65 3.54 0.00 1.55 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 1.71 2.30 0.00 83 Q 7.54 3.85 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 1.71 2.21 0.00 84 K 7.83 3.83 0.00 1.71 1.75 0.00 1.44 0.00 0.00 1.43 0.00 0.00 2.74 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.88 1.38 7.81 85 V 7.95 3.98 2.54 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 1.25 0.00 0.00 1.24 0.00 0.00 86 K 8.29 3.93 0.00 2.04 1.94 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.42 7.81 87 K 8.35 4.02 0.00 1.90 1.97 0.00 1.53 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.45 7.81 88 T 8.00 3.58 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 -0.27 0.00 0.00 89 A 7.51 3.82 1.52 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 0.00 0.00 90 E 7.79 3.96 0.00 2.04 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 0.00 2.30 2.43 0.00 91 A 7.63 4.21 1.15 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.