NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3813 8.3349 115.4132 57.6285 64.1394 173.2252 1 L 4.2490 8.5556 123.8849 52.6471 41.7795 174.7495 2 K 4.2579 8.7504 121.6890 56.5795 36.5590 175.9495 3 G 3.9903 8.4778 106.7947 44.9688 0.0000 171.9597 4 L 4.2437 8.4420 119.7673 56.0994 42.1775 177.9151 5 R 4.6673 9.8068 124.1236 56.6083 32.5739 176.5698 6 R 5.8066 7.6023 116.9624 54.2017 34.1267 173.8189 7 L 5.2148 8.5254 123.5500 52.9859 46.4935 175.5751 8 V 4.7368 8.8056 122.8547 61.3965 33.7134 173.9249 9 L 5.0413 9.4036 130.3250 53.0770 43.8115 175.5160 10 D 4.7989 8.9864 125.0149 53.6539 42.1663 175.1189 11 V 4.9371 8.8477 126.3615 60.9037 35.2511 173.7068 12 L 5.1803 8.5893 128.6092 53.1065 44.5363 175.1737 13 K 4.9723 8.5467 124.0119 54.6132 35.9783 173.8158 14 P 4.8266 0.0000 0.0000 62.3472 32.2390 176.7666 15 H 3.9672 8.7106 117.3588 58.1877 28.8162 175.8098 16 E 4.8813 7.3973 116.9897 53.3316 32.4604 174.0648 17 P 4.5712 0.0000 0.0000 62.2238 32.4696 176.3759 18 K 4.2204 8.4115 118.6498 56.2573 32.8641 178.3781 19 T 3.7639 8.5024 112.1798 65.2495 68.2628 176.4076 20 I 3.7667 7.8452 122.0191 64.4202 37.0496 178.3086 21 V 3.6811 8.0136 118.9861 65.7396 31.3689 178.1048 22 F 3.8765 8.4370 116.9501 60.5205 38.9047 177.1752 23 A 4.0623 8.5950 120.6956 55.0803 17.9537 179.3103 24 L 3.8934 7.6853 117.4611 58.5359 42.4670 179.2957 25 K 4.2611 8.4253 118.4990 59.1427 32.0078 179.4868 26 L 4.1270 8.0339 119.9798 57.4913 41.3865 179.1361 27 S 4.3671 8.1406 112.5269 60.1365 63.1291 175.1291 28 E 4.4193 7.3523 119.6935 55.3727 30.2145 176.0595 29 L 4.1583 7.5836 120.4127 54.5306 41.8456 177.3278 30 E 3.5330 7.4806 119.6357 57.0499 31.1786 177.7952 31 N 5.0326 7.8619 115.6226 52.8610 39.3045 174.2143 32 V 4.3864 7.5491 118.8648 61.7295 32.5440 175.6160 33 D 4.5447 9.3901 129.2396 56.9880 42.1894 176.5257 34 G 4.2839 7.4455 102.6561 45.8594 0.0000 172.5839 35 V 5.1493 8.4085 119.1211 60.9709 35.1646 173.9552 36 N 5.0191 9.1917 124.5642 51.8966 41.9768 172.7475 37 I 4.9055 8.5670 126.7103 59.8274 39.7603 174.2321 38 H 4.7919 8.9607 127.7732 53.9879 31.9530 172.9929 39 L 4.2967 8.3097 128.5326 55.3819 41.7716 176.4902 40 S 4.3700 9.1428 124.2189 61.0251 63.7202 174.9453 41 E 4.6186 7.7143 117.1376 55.3870 32.7085 174.2074 42 I 4.5915 8.4728 127.7091 60.6074 38.9083 174.7170 43 D 5.0749 8.7294 124.8975 52.5511 44.4741 175.5345 44 Q 4.1380 8.9469 117.4348 59.1787 28.2839 177.3555 45 A 4.7947 7.9252 115.7345 51.3723 21.2845 175.3693 46 T 4.7449 7.6393 104.7386 59.8269 73.1699 172.5473 47 E 5.1081 9.1896 119.7849 54.7263 33.4891 174.1466 48 N 5.2418 9.2048 120.8103 52.0092 40.2185 174.2049 49 I 4.8911 8.5424 117.5032 58.8221 41.4808 174.2053 50 K 4.9281 9.1002 124.6824 54.7873 34.5867 174.5884 51 I 4.9282 9.2405 129.0822 59.8690 40.0037 174.5646 52 T 5.1600 9.0645 124.2405 61.9448 71.0730 173.1740 53 I 4.8650 8.6434 127.9543 59.3584 39.9139 174.4024 54 L 5.0217 8.4616 129.3938 53.2670 44.6110 176.2491 55 G 4.2706 7.8180 112.0947 45.8970 0.0000 170.7627 56 N 4.9059 7.7769 117.1232 53.0615 41.9571 174.7280 57 N 4.4548 8.5863 123.0607 54.6059 37.8293 174.1624 58 L 4.0666 8.0890 118.4370 54.8706 42.9788 177.8507 59 D 4.7651 8.3853 121.2032 52.7074 42.1473 176.4592 60 Y 4.0552 8.5490 128.1653 61.0290 39.0411 177.2944 61 E 3.7623 8.5412 118.9210 59.7385 29.5274 179.4175 62 Q 3.8488 8.1102 118.7148 59.1966 29.2184 177.9360 63 I 3.5964 7.6886 120.8849 64.4828 37.2092 178.2581 64 K 3.7861 8.3798 120.8937 59.2200 31.7686 178.8801 65 G 3.5116 7.8598 105.9745 47.8024 0.0000 175.5498 66 V 3.4911 7.4781 120.2983 65.6453 31.7799 177.8382 67 I 3.7025 7.6166 119.2112 64.2595 36.6867 178.2589 68 E 4.2323 7.8750 119.5712 58.8629 29.5536 180.5208 69 D 4.4756 8.0538 119.4712 54.2327 42.1456 177.9682 *71 G 3.8603 8.0639 106.1216 44.9061 0.0000 173.7415 72 G 4.2147 8.1875 108.1336 45.5104 0.0000 173.1918 73 V 4.6690 8.5734 118.9422 61.0785 35.4228 174.2721 74 I 4.5081 8.4374 128.2883 61.0805 36.8145 175.3645 75 H 4.7301 9.2877 126.6209 58.4730 29.4771 175.8777 76 S 4.5167 7.6704 109.9551 57.8941 65.8101 175.5189 77 V 4.6184 8.3721 121.5176 61.2460 30.8118 174.7083 78 D 4.6000 8.8655 127.8764 56.7570 41.5594 176.2624 79 E 4.9003 7.9598 117.5669 54.9997 33.1884 174.3025 80 V 4.9933 8.2285 124.1821 60.1879 34.6902 174.2136 81 V 4.5474 8.9267 123.5347 61.0681 34.2371 174.0555 82 A 4.8733 8.9760 128.0049 51.2590 22.4999 174.1731 83 G 3.7058 8.3191 105.2720 43.9918 0.0000 174.0146 84 K 4.3887 8.5435 117.1470 57.8040 32.3408 177.6927 85 I 4.5522 7.3438 117.4752 59.0420 40.1495 175.0563 86 I 3.9057 8.3291 125.0806 61.0551 37.1719 175.5098 87 V 4.2913 8.2456 125.5483 61.0116 33.0252 174.9754 88 E 4.4896 8.4330 126.2995 54.9223 30.9742 175.8943 89 S 4.2592 8.2776 115.4712 58.2260 63.2470 174.3147 90 V 3.8622 8.2258 124.8351 63.1309 31.2905 175.5945 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 0 S 8.33 4.38 0.00 4.00 3.95 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 1 L 8.56 4.25 0.00 1.81 1.66 0.92 0.65 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 2 K 8.75 4.26 0.00 1.89 1.88 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.43 7.81 3 G 8.48 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 4 L 8.44 4.24 0.00 1.83 1.68 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 5 R 9.81 4.67 0.00 1.71 1.95 0.00 3.27 0.00 0.00 3.31 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 6 R 7.60 5.81 0.00 1.84 1.70 0.00 3.17 0.00 0.00 3.31 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 7 L 8.53 5.21 0.00 1.65 1.56 1.13 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.81 4.74 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 1.00 0.00 0.00 0.99 0.00 0.00 9 L 9.40 5.04 0.00 1.60 1.63 0.98 0.98 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 10 D 8.99 4.80 0.00 3.01 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 11 V 8.85 4.94 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 0.94 0.00 0.00 0.98 0.00 0.00 12 L 8.59 5.18 0.00 1.49 1.25 0.93 0.56 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 13 K 8.55 4.97 0.00 1.73 1.69 0.00 0.61 0.00 0.00 0.97 0.00 0.00 2.32 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.20 1.18 7.81 14 P 0.00 4.83 0.00 2.12 2.20 0.00 3.90 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 2.27 1.86 0.00 15 H 8.71 3.97 0.00 3.16 3.39 0.00 5.64 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.40 4.88 0.00 1.75 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 0.00 2.25 2.28 0.00 17 P 0.00 4.57 0.00 2.34 2.13 0.00 3.94 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.07 0.00 18 K 8.41 4.22 0.00 1.88 1.78 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.45 7.81 19 T 8.50 3.76 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 1.08 0.00 0.00 20 I 7.85 3.77 1.90 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 1.54 0.52 0.94 0.00 0.00 21 V 8.01 3.68 2.35 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 1.10 0.00 0.00 0.98 0.00 0.00 22 F 8.44 3.88 0.00 3.21 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 23 A 8.59 4.06 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 24 L 7.69 3.89 0.00 1.98 1.82 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.43 4.26 0.00 1.81 1.74 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.43 7.81 26 L 8.03 4.13 0.00 1.95 1.72 1.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.14 4.37 0.00 4.04 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 28 E 7.35 4.42 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 2.28 2.57 0.00 29 L 7.58 4.16 0.00 1.87 1.57 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.48 3.53 0.00 1.93 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 2.30 2.39 0.00 31 N 7.86 5.03 0.00 2.70 2.84 0.00 0.00 6.42 7.68 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 32 V 7.55 4.39 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 0.80 0.00 0.00 0.97 0.00 0.00 33 D 9.39 4.54 0.00 2.74 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 34 G 7.45 4.28 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 0.00 0.00 0.00 35 V 8.41 5.15 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 0.85 0.00 0.00 0.98 0.00 0.00 36 N 9.19 5.02 0.00 2.77 2.62 0.00 0.00 6.99 7.31 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 37 I 8.57 4.91 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.82 0.87 0.00 0.00 38 H 8.96 4.79 0.00 3.24 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.31 4.30 0.00 1.59 1.46 0.91 0.95 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 40 S 9.14 4.37 0.00 3.94 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 41 E 7.71 4.62 0.00 1.98 1.72 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 2.23 2.28 0.00 42 I 8.47 4.59 1.84 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 1.44 0.65 0.87 0.00 0.00 43 D 8.73 5.07 0.00 2.83 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 44 Q 8.95 4.14 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 45 A 7.93 4.79 1.20 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 0.00 0.00 0.00 46 T 7.64 4.74 4.26 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 1.15 0.00 0.00 47 E 9.19 5.11 0.00 1.94 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 2.27 2.15 0.00 48 N 9.20 5.24 0.00 2.61 2.77 0.00 0.00 6.44 7.06 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 49 I 8.54 4.89 1.80 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.79 0.77 0.00 0.00 50 K 9.10 4.93 0.00 1.88 1.72 0.00 1.49 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.44 7.81 51 I 9.24 4.93 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.91 0.97 0.00 0.00 52 T 9.06 5.16 4.26 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 1.23 0.00 0.00 53 I 8.64 4.86 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.78 0.93 0.00 0.00 54 L 8.46 5.02 0.00 1.76 1.50 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.82 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 0.00 0.00 0.00 0.00 56 N 7.78 4.91 0.00 2.75 2.63 0.00 0.00 7.52 6.70 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 57 N 8.59 4.45 0.00 2.89 2.76 0.00 0.00 7.24 7.93 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 58 L 8.09 4.07 0.00 1.72 1.63 1.00 1.07 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 59 D 8.39 4.77 0.00 2.74 2.56 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 0.00 0.00 0.00 60 Y 8.55 4.06 0.00 3.09 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 61 E 8.54 3.76 0.00 2.22 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 2.50 2.39 0.00 62 Q 8.11 3.85 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 63 I 7.69 3.60 1.85 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 1.38 0.51 0.85 0.00 0.00 64 K 8.38 3.79 0.00 0.98 1.61 0.00 1.58 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.32 7.81 65 G 7.86 3.51 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 0.00 66 V 7.48 3.49 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 0.69 0.00 0.00 0.85 0.00 0.00 67 I 7.62 3.70 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.76 1.04 0.00 0.00 68 E 7.88 4.23 0.00 2.08 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 2.54 2.29 0.00 69 D 8.05 4.48 0.00 2.65 2.66 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 *71 G 8.06 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 0.00 0.00 0.00 72 G 8.19 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 73 V 8.57 4.67 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 1.10 0.00 0.00 0.96 0.00 0.00 74 I 8.44 4.51 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 1.39 0.69 1.07 0.00 0.00 75 H 9.29 4.73 0.00 3.14 3.35 0.00 5.71 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 76 S 7.67 4.52 0.00 3.86 3.93 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 77 V 8.37 4.62 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 0.82 0.00 0.00 0.98 0.00 0.00 78 D 8.87 4.60 0.00 2.64 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 79 E 7.96 4.90 0.00 2.01 1.73 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 2.29 2.30 0.00 80 V 8.23 4.99 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 0.71 0.00 0.00 0.91 0.00 0.00 81 V 8.93 4.55 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 0.97 0.00 0.00 0.97 0.00 0.00 82 A 8.98 4.87 1.18 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 0.00 0.00 83 G 8.32 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 0.00 0.00 0.00 84 K 8.54 4.39 0.00 1.76 1.88 0.00 1.74 0.00 0.00 0.69 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.60 1.42 7.81 85 I 7.34 4.55 1.87 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 1.41 0.61 0.91 0.00 0.00 86 I 8.33 3.91 1.87 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 1.30 0.47 0.91 0.00 0.00 87 V 8.25 4.29 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 0.83 0.00 0.00 0.99 0.00 0.00 88 E 8.43 4.49 0.00 1.99 1.85 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 2.27 2.23 0.00 89 S 8.28 4.26 0.00 3.83 3.75 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 90 V 8.23 3.86 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 0.82 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.