NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.3264 7.8676 121.4025 61.4997 39.2732 173.9013 3 T 4.9846 8.1622 116.4105 59.8501 71.7254 171.5580 4 A 4.9880 8.8125 124.3716 51.3488 24.2001 175.6434 5 E 5.0912 9.1584 119.1440 54.5322 33.3731 173.9807 6 L 5.3601 9.3075 128.3591 53.4233 45.7735 175.0398 7 T 4.8127 8.9082 115.5276 59.9474 71.8124 172.6898 8 V 4.5176 8.6017 126.4741 61.1085 33.5017 174.7412 9 I 4.5603 8.7469 130.3790 58.6967 39.4626 173.4544 10 P 4.7267 0.0000 0.0000 62.5075 32.0099 175.6974 11 L 4.5573 8.9378 122.7980 53.3790 44.5020 176.2449 12 G 3.8453 8.6400 108.3018 47.2507 0.0000 175.2135 13 T 3.9892 8.0454 117.4496 64.0062 68.8969 174.4085 14 C 3.8893 8.0595 119.8425 59.7792 29.8017 172.5001 15 S 4.4905 7.6705 107.2463 57.7262 64.7139 175.1423 16 T 4.1465 8.7612 116.7945 62.1604 69.1383 174.0641 17 S 4.5917 7.7438 117.9766 57.4672 62.8755 173.8770 18 L 4.8342 8.3216 126.6643 54.6333 42.1294 178.0986 19 S 4.1911 8.1413 116.9487 62.1275 62.7933 176.6982 20 S 4.0936 8.0040 117.0622 61.5307 62.5877 176.2004 21 Y 4.0786 7.8306 119.2395 61.0094 37.6532 178.3016 22 V 3.6246 8.0967 119.0584 65.8674 31.5713 177.9019 23 A 3.9411 8.4003 120.7145 55.1187 18.3255 179.4756 24 A 3.9139 8.0397 118.9746 55.0978 18.4245 179.7464 25 A 3.9191 7.9325 119.3694 55.3772 18.4096 180.0937 26 V 3.2979 8.0163 117.1190 65.9209 31.3116 177.7640 27 E 3.8188 8.2918 118.4729 59.2379 29.5734 178.4351 28 A 4.1232 7.9008 120.4500 54.8823 18.4277 179.5819 29 L 3.8979 7.7021 117.5807 57.9426 41.5069 179.7704 30 K 4.0261 7.9507 117.2336 59.1864 32.0294 178.7594 31 K 4.2193 7.6729 117.3005 56.8992 32.3266 176.8996 32 L 4.4958 7.2575 119.0125 53.2542 43.7857 176.4580 33 N 4.7244 8.5048 119.5892 53.1747 37.4399 174.2653 34 V 4.7572 7.1723 111.4683 59.7937 36.5933 176.8774 35 R 4.8442 8.7198 121.4904 55.0589 32.3763 175.1080 36 Y 5.4343 7.9407 118.9129 55.7337 42.0622 174.1967 37 E 4.5238 9.2418 120.9734 54.9331 33.1858 174.0970 38 I 4.4594 8.7421 129.0944 61.3439 37.7682 175.4963 39 S 4.7457 8.5191 121.3516 55.3829 66.2099 175.3985 40 G 3.6112 8.5839 104.5671 46.2668 0.0000 173.3061 *42 G 3.8078 7.8600 106.6506 46.0409 0.0000 172.2007 43 T 5.0059 8.5867 116.9543 62.3479 70.0314 174.8642 44 L 4.8318 9.2007 127.1182 54.5041 43.3900 176.0152 45 L 5.4480 9.2730 121.4566 53.2754 46.7971 175.2817 46 E 5.3189 9.1320 119.3693 54.8776 33.5069 174.6965 47 A 5.0426 8.8804 124.8003 50.4935 22.2414 175.8537 48 E 4.2548 8.9336 117.9599 57.8030 30.4020 176.3877 49 D 4.7221 7.4880 116.4126 51.8211 42.0214 176.1845 50 L 3.9941 8.4879 120.3268 58.0756 42.0045 178.7425 51 D 4.5220 8.2951 117.4401 57.5836 41.2054 177.5116 52 E 4.0715 8.9903 118.8722 59.5801 29.6182 179.9076 53 L 3.9723 7.6072 117.2595 56.1261 42.0751 178.1994 *55 E 4.2199 8.2915 118.3501 55.9444 31.6081 178.0842 56 A 4.0014 8.3388 120.9223 55.0364 18.3041 179.9212 57 V 3.5402 8.1566 117.1987 66.0148 31.5318 178.4466 58 K 3.9339 8.0151 117.5793 59.3454 31.9777 178.9451 59 A 3.9608 8.1546 120.7929 55.0918 17.8740 179.5657 60 A 4.0183 8.0871 119.2086 55.4909 18.2448 179.1917 61 H 4.0346 8.3342 116.7846 59.6940 29.9378 177.3190 62 E 3.9710 8.5716 120.2842 59.3336 29.2125 179.2088 63 A 4.0903 8.1331 120.9092 55.1410 18.2726 179.8866 64 V 3.7141 7.5756 116.3258 65.9434 31.5730 178.4045 65 L 4.2270 7.5555 120.1162 57.4296 41.2865 179.4679 66 Q 4.0405 8.4075 117.0552 58.7312 28.7061 178.3282 67 A 4.2041 7.9826 120.7805 52.9215 18.4964 177.4272 68 G 3.8469 7.6794 103.9251 45.2585 0.0000 174.4105 69 S 4.2678 8.2890 116.4762 58.1892 62.8359 174.0855 70 D 4.7427 8.5042 125.6569 54.7256 41.4835 176.4821 71 R 4.4478 7.7503 121.2296 55.3479 33.3546 173.5089 72 V 4.6412 8.4810 126.6806 61.1851 34.0219 173.9320 73 Y 4.6267 9.2073 129.8859 56.5353 40.1725 174.0221 74 T 5.0492 8.1306 123.2888 61.9543 71.2928 174.1060 75 T 4.5417 8.8167 122.1674 61.5438 72.0956 172.7923 76 L 5.1748 8.4177 126.7098 53.2523 45.2623 175.2691 77 K 4.6825 9.0290 125.4747 54.6000 34.9988 175.0432 78 I 4.8246 8.4230 125.0523 59.4866 40.0330 174.6022 79 D 4.6731 9.3876 127.5719 52.7246 42.7289 174.1701 80 D 4.8681 8.6421 126.4662 52.5791 42.0230 174.9492 81 R 4.4823 8.4176 126.3372 54.7184 31.0786 175.9989 82 R 4.3419 8.5794 124.1493 56.8266 30.9321 176.6854 83 D 4.7327 7.8409 115.8263 52.4271 39.8263 175.7562 84 A 4.3194 7.3200 119.0198 51.9374 21.5575 176.0887 85 D 4.6726 8.6736 121.4746 53.0231 41.1883 176.8422 86 R 4.5460 8.3633 123.3369 53.7218 33.0123 176.3396 87 G 3.9852 9.1771 111.1418 43.0864 0.0000 173.6210 88 L 3.9684 9.2766 119.9887 57.9448 41.4717 180.0141 89 R 3.8518 7.9304 117.7416 59.5889 30.0895 177.8261 90 D 4.3850 8.1480 118.1028 57.6307 40.7047 179.0585 91 K 4.0060 8.0913 118.7528 59.2254 32.0108 179.7196 92 V 3.6046 7.6789 118.5002 66.1926 31.5245 178.0732 93 E 4.0320 8.5422 118.6391 59.4151 28.9806 179.5959 94 S 4.1251 8.0036 114.7841 61.3859 63.2472 176.6197 95 V 3.7316 7.5774 121.0806 65.9360 31.3507 178.1842 96 K 3.9346 8.0516 118.2716 59.5877 31.6871 178.8670 97 E 3.9541 8.1672 118.3595 58.9591 29.5943 178.2760 98 K 4.2479 7.6910 115.8757 57.1818 32.4948 176.9285 99 I 4.0126 7.5858 125.3168 61.4131 37.1720 175.4735 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 I 7.87 4.33 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.52 0.91 0.00 0.00 3 T 8.16 4.98 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 1.28 0.00 0.00 4 A 8.81 4.99 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 5 E 9.16 5.09 0.00 2.02 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 2.20 2.25 0.00 6 L 9.31 5.36 0.00 1.71 1.44 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.91 4.81 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 8 V 8.60 4.52 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 0.81 0.00 0.00 0.93 0.00 0.00 9 I 8.75 4.56 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.92 0.00 0.00 10 P 0.00 4.73 0.00 1.38 1.43 0.00 3.63 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.25 0.00 11 L 8.94 4.56 0.00 1.44 1.54 0.85 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.64 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 13 T 8.05 3.99 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 1.45 0.00 0.00 14 C 8.06 3.89 0.00 3.11 3.01 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 15 S 7.67 4.49 0.00 3.84 3.73 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 16 T 8.76 4.15 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 1.22 0.00 0.00 17 S 7.74 4.59 0.00 3.83 3.84 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 18 L 8.32 4.83 0.00 1.76 1.74 0.93 1.00 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 19 S 8.14 4.19 0.00 3.87 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 20 S 8.00 4.09 0.00 3.66 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 21 Y 7.83 4.08 0.00 3.22 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 22 V 8.10 3.62 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 1.11 0.00 0.00 1.02 0.00 0.00 23 A 8.40 3.94 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 24 A 8.04 3.91 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 25 A 7.93 3.92 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 26 V 8.02 3.30 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 0.47 0.00 0.00 0.89 0.00 0.00 27 E 8.29 3.82 0.00 2.12 2.04 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 2.31 2.36 0.00 28 A 7.90 4.12 1.38 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 29 L 7.70 3.90 0.00 1.75 1.59 0.78 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.95 4.03 0.00 1.87 1.96 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.65 1.50 7.81 31 K 7.67 4.22 0.00 1.77 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.64 7.81 32 L 7.26 4.50 0.00 1.78 1.61 0.93 0.88 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 33 N 8.50 4.72 0.00 2.69 2.88 0.00 0.00 6.95 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.17 4.76 2.24 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 0.81 0.00 0.00 1.00 0.00 0.00 35 R 8.72 4.84 0.00 1.77 1.78 0.00 3.15 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 36 Y 7.94 5.43 0.00 2.98 2.89 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 37 E 9.24 4.52 0.00 1.98 1.81 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 2.22 2.27 0.00 38 I 8.74 4.46 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.94 0.96 0.00 0.00 39 S 8.52 4.75 0.00 3.88 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 40 G 8.58 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.86 3.81 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 0.00 0.00 0.00 43 T 8.59 5.01 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 1.33 0.00 0.00 44 L 9.20 4.83 0.00 1.81 1.60 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 L 9.27 5.45 0.00 1.51 1.53 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.13 5.32 0.00 1.88 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 2.22 2.25 0.00 47 A 8.88 5.04 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 0.00 0.00 0.00 0.00 0.00 48 E 8.93 4.25 0.00 1.97 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 2.28 2.29 0.00 49 D 7.49 4.72 0.00 2.85 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 50 L 8.49 3.99 0.00 1.65 1.77 0.92 1.04 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 51 D 8.30 4.52 0.00 2.87 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 52 E 8.99 4.07 0.00 1.98 2.01 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 2.34 2.41 0.00 53 L 7.61 3.97 0.00 1.68 1.80 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 *55 E 8.29 4.22 0.00 2.23 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 2.51 2.26 0.00 56 A 8.34 4.00 1.36 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 57 V 8.16 3.54 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 0.99 0.00 0.00 0.94 0.00 0.00 58 K 8.02 3.93 0.00 1.97 1.84 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.48 7.81 59 A 8.15 3.96 1.38 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 60 A 8.09 4.02 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 61 H 8.33 4.03 0.00 3.32 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.57 3.97 0.00 2.01 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 2.61 2.47 0.00 63 A 8.13 4.09 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 64 V 7.58 3.71 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 0.91 0.00 0.00 1.08 0.00 0.00 65 L 7.56 4.23 0.00 1.89 1.69 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.41 4.04 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 67 A 7.98 4.20 1.50 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 0.00 0.00 68 G 7.68 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 69 S 8.29 4.27 0.00 3.43 3.70 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 70 D 8.50 4.74 0.00 2.69 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 71 R 7.75 4.45 0.00 1.81 1.86 0.00 3.03 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 72 V 8.48 4.64 1.92 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 0.72 0.00 0.00 0.80 0.00 0.00 73 Y 9.21 4.63 0.00 3.02 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 74 T 8.13 5.05 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 1.16 0.00 0.00 75 T 8.82 4.54 4.20 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 0.00 0.00 1.18 0.00 0.00 76 L 8.42 5.17 0.00 1.53 1.44 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 9.03 4.68 0.00 1.72 1.66 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.37 7.81 78 I 8.42 4.82 1.86 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 1.22 0.60 0.91 0.00 0.00 79 D 9.39 4.67 0.00 2.68 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 0.00 0.00 0.00 0.00 80 D 8.64 4.87 0.00 2.71 2.58 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 81 R 8.42 4.48 0.00 1.79 1.81 0.00 3.28 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 82 R 8.58 4.34 0.00 1.83 1.95 0.00 3.41 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 83 D 7.84 4.73 0.00 2.77 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 84 A 7.32 4.32 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 85 D 8.67 4.67 0.00 2.67 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 86 R 8.36 4.55 0.00 1.73 1.81 0.00 3.36 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 87 G 9.18 3.99 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 0.00 0.00 0.00 88 L 9.28 3.97 0.00 1.65 1.74 0.93 1.15 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 89 R 7.93 3.85 0.00 1.86 1.91 0.00 3.19 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 90 D 8.15 4.38 0.00 2.94 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 91 K 8.09 4.01 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.65 7.81 92 V 7.68 3.60 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 1.03 0.00 0.00 1.00 0.00 0.00 93 E 8.54 4.03 0.00 1.99 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 2.53 2.49 0.00 94 S 8.00 4.13 0.00 3.99 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 95 V 7.58 3.73 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 1.03 0.00 0.00 1.00 0.00 0.00 96 K 8.05 3.93 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.61 7.81 97 E 8.17 3.95 0.00 2.11 2.14 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 2.32 2.50 0.00 98 K 7.69 4.25 0.00 1.96 1.84 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.58 1.61 7.81 99 I 7.59 4.01 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.71 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.