NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2969 8.3344 115.2910 57.4738 63.2246 172.7852 2 L 3.8315 8.2362 124.8055 54.0944 41.7400 173.8302 3 S 4.9874 8.7618 121.5080 56.3531 64.8505 172.4410 4 I 4.5854 8.3305 126.7996 60.6966 41.2629 174.0837 5 G 4.1495 9.7589 111.6134 44.1576 0.0000 171.5772 6 R 4.8116 8.8501 115.4152 55.4772 33.4646 175.6637 7 T 4.5840 8.5472 107.1569 62.3400 70.2291 174.0310 8 C 5.3301 7.6011 119.5047 58.1154 32.0302 173.3907 9 W 5.0930 9.5624 122.5681 54.7850 33.0152 174.0158 10 A 5.2630 8.9026 124.7426 50.1978 21.4886 175.6315 11 I 4.4864 9.0182 122.1443 59.4722 39.5155 176.5488 12 A 3.9811 8.8838 130.3676 53.4262 18.7971 176.3148 13 E 4.5492 7.3447 116.0319 54.3346 32.5795 175.4076 14 G 2.6904 7.6854 106.1830 45.2828 0.0000 171.8382 15 Y 5.2027 8.2832 125.6853 56.5608 42.1836 173.4705 16 I 4.5078 7.9813 127.7082 58.6302 39.5549 173.2873 17 P 4.6025 0.0000 0.0000 62.2522 31.8265 174.6397 18 P 4.0082 0.0000 0.0000 63.3190 32.0304 176.0277 *31 E 4.8520 8.2758 114.6852 56.2815 32.0866 174.6287 32 T 4.9910 7.9080 115.6915 62.1703 72.8891 172.7013 33 V 4.5749 8.3626 125.2502 61.2531 34.2548 173.7922 34 C 4.9380 9.1295 125.8736 58.0645 30.4649 172.7151 35 I 4.6967 8.6333 124.6597 59.2556 40.0390 174.0921 36 L 4.7192 9.0856 129.5746 53.3975 44.2992 174.6094 37 N 5.0988 9.2250 126.0660 51.9400 39.2713 174.2189 38 A 4.3444 8.6260 124.8264 52.3992 19.6728 177.0117 39 G 3.9881 8.3798 104.5792 44.6706 0.0000 174.4434 40 D 4.8625 8.6051 117.2680 54.0330 41.2024 176.1046 41 E 4.7796 7.6398 120.0493 53.8767 32.2666 175.2624 42 D 4.5820 8.7967 125.4777 54.6800 41.9258 175.5752 43 A 4.5427 8.9266 125.2873 51.1312 20.2742 176.1602 44 H 4.9110 9.5171 121.8934 55.1277 29.7008 174.7551 45 V 4.5111 8.7908 124.8388 61.7526 33.4232 174.4915 46 E 5.3075 9.2301 126.2434 54.6697 33.0078 174.7511 47 I 5.0968 9.1269 125.2086 59.8885 40.3074 174.6459 48 T 5.1268 9.1836 123.0877 61.8527 71.7321 173.0105 49 I 4.7619 8.8478 126.8114 59.8896 39.5055 174.3506 50 Y 4.8520 9.1326 124.8469 56.5440 40.6528 174.3723 51 Y 5.2039 8.4284 118.5209 56.1987 41.7813 175.8674 52 S 4.4653 9.1159 114.7935 60.3838 63.7030 174.7822 53 D 4.8887 8.0368 118.1619 52.2954 40.1761 174.3936 54 K 4.5406 7.8072 116.7999 56.0308 35.1012 174.9627 55 E 4.1770 8.5355 119.2334 55.5615 29.8668 175.4826 56 P 4.5820 0.0000 0.0000 62.7108 32.2502 175.7178 57 V 4.3381 9.7195 118.3955 59.9222 34.1149 175.8952 58 G 3.9490 7.9749 113.3600 44.0584 0.0000 169.5163 59 P 4.8502 0.0000 0.0000 62.6230 32.6954 175.3594 60 Y 4.4985 9.3489 120.7928 57.1902 39.3734 174.6342 61 R 5.3478 8.6304 123.4029 54.6125 32.6067 175.2442 62 L 4.6719 8.6913 121.7696 55.2371 44.5151 173.9919 63 T 5.0528 8.4484 115.7061 61.7612 71.3688 174.0574 64 V 4.2634 8.6138 126.2423 60.4334 33.2606 173.4329 65 P 4.9319 0.0000 0.0000 61.8561 32.3528 176.1577 66 A 3.9207 8.9073 123.1272 53.4855 18.7482 178.0283 67 R 3.8701 8.4620 120.3632 57.3231 28.5257 176.2721 68 R 4.7824 7.6603 114.0895 54.8847 34.9820 174.6385 69 T 4.9923 8.4058 114.7849 60.5636 70.2470 173.3906 70 K 4.6004 8.8833 126.1734 55.1979 35.9256 174.5129 71 H 4.8919 8.9292 124.7448 55.0136 29.9998 174.6870 72 V 4.1664 8.8871 123.9701 61.0312 33.8386 174.7522 73 R 4.5671 8.3331 128.0614 55.1214 30.7819 177.8344 74 F 4.3021 8.6834 122.7794 60.4474 39.2076 177.3431 75 N 4.3623 8.2917 118.1247 56.0905 38.8720 174.8971 76 D 4.6854 7.7650 115.5349 53.9706 41.2107 176.1394 77 L 4.3931 7.5841 122.0809 54.2714 41.7399 177.0752 78 N 5.3210 8.7753 117.5231 51.6908 38.9994 173.3824 79 D 4.6981 8.1891 118.0047 51.8890 43.2319 173.5147 80 P 4.2206 0.0000 0.0000 65.3030 31.4565 176.2705 81 A 4.6708 7.3316 119.3811 50.0189 21.8808 173.6910 82 P 4.6997 0.0000 0.0000 62.0199 32.0810 176.4156 83 I 4.0984 8.0676 122.4952 59.6133 37.8231 174.4112 84 P 4.2926 0.0000 0.0000 63.2732 31.1923 176.0020 85 H 4.4013 8.6688 118.0058 56.1892 29.4123 174.2559 86 D 4.4017 8.5835 117.7646 55.4848 40.0544 173.4910 87 T 4.8154 7.0842 112.2321 61.1785 72.0191 173.6375 88 D 5.0673 8.9094 126.0112 54.4059 41.7409 175.4353 89 F 5.0956 8.3325 116.9131 55.8820 41.7514 172.7413 90 A 4.8593 8.8861 119.3716 50.5580 23.0788 175.2300 91 S 5.2999 9.2351 112.9710 56.7593 67.1748 173.0089 92 V 4.9561 8.9995 121.3236 61.3173 34.1993 174.2937 93 I 5.0429 9.0878 128.5419 59.9688 39.7171 174.4906 94 Q 5.2644 9.1744 126.7157 54.3685 31.5348 174.9652 95 S 5.2742 9.1038 115.8746 55.5434 65.3466 173.9839 96 N 4.5487 9.0910 122.2285 54.9679 37.5425 175.4888 97 V 4.5757 7.2209 110.2547 58.1888 35.1648 173.5041 98 P 4.7374 0.0000 0.0000 63.2218 32.0058 175.6063 99 I 4.8733 9.0229 115.5434 59.6043 41.9633 173.5802 100 V 4.6243 8.6430 122.6716 61.0041 33.7668 174.3640 101 V 4.3944 6.1211 126.7143 60.7910 34.1418 174.2183 102 Q 4.4402 8.7861 128.0840 54.5173 32.4157 172.8848 103 H 5.4065 8.8861 125.8693 54.7009 31.9504 174.2474 104 T 4.1965 8.5392 114.9859 61.9368 68.4530 173.5475 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 S 8.33 4.30 0.00 3.85 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 2 L 8.24 3.83 0.00 1.85 1.56 0.93 0.40 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 3 S 8.76 4.99 0.00 3.85 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 4 I 8.33 4.59 1.90 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 1.42 1.00 0.95 0.00 0.00 5 G 9.76 4.15 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 0.00 6 R 8.85 4.81 0.00 1.61 1.82 0.00 2.24 0.00 0.00 2.70 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 7 T 8.55 4.58 4.45 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 1.28 0.00 0.00 8 C 7.60 5.33 0.00 2.71 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 9 W 9.56 5.09 0.00 3.27 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 10 A 8.90 5.26 1.19 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 11 I 9.02 4.49 1.91 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 1.20 0.94 0.74 0.00 0.00 12 A 8.88 3.98 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 13 E 7.34 4.55 0.00 1.88 1.77 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 2.17 2.26 0.00 14 G 7.69 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 0.00 0.00 0.00 15 Y 8.28 5.20 0.00 2.84 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 16 I 7.98 4.51 1.71 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 1.48 0.84 0.58 0.00 0.00 17 P 0.00 4.60 0.00 2.23 2.26 0.00 3.52 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 2.05 2.24 0.00 18 P 0.00 4.01 0.00 2.12 2.17 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 *31 E 8.28 4.85 0.00 2.29 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 2.35 2.38 0.00 32 T 7.91 4.99 4.17 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 1.11 0.00 0.00 33 V 8.36 4.57 1.63 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 0.82 0.00 0.00 0.84 0.00 0.00 34 C 9.13 4.94 0.00 2.70 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 35 I 8.63 4.70 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.72 0.83 0.00 0.00 36 L 9.09 4.72 0.00 1.66 1.44 0.96 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.23 5.10 0.00 2.82 2.91 0.00 0.00 6.71 7.86 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 38 A 8.63 4.34 1.28 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 39 G 8.38 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 40 D 8.61 4.86 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 41 E 7.64 4.78 0.00 1.93 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 2.14 2.28 0.00 42 D 8.80 4.58 0.00 2.53 2.53 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 43 A 8.93 4.54 1.28 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 44 H 9.52 4.91 0.00 3.10 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.79 4.51 2.20 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 1.00 0.00 0.00 1.00 0.00 0.00 46 E 9.23 5.31 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 2.26 2.30 0.00 47 I 9.13 5.10 2.02 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 1.33 0.74 1.11 0.00 0.00 48 T 9.18 5.13 4.37 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 0.84 0.00 0.00 49 I 8.85 4.76 1.82 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.67 0.21 0.00 0.00 50 Y 9.13 4.85 0.00 2.75 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 51 Y 8.43 5.20 0.00 3.11 2.90 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 52 S 9.12 4.47 0.00 4.04 4.08 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 0.00 0.00 0.00 0.00 53 D 8.04 4.89 0.00 2.75 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 54 K 7.81 4.54 0.00 1.82 1.76 0.00 1.31 0.00 0.00 1.50 0.00 0.00 2.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.44 7.81 55 E 8.54 4.18 0.00 1.99 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 0.00 2.34 2.26 0.00 56 P 0.00 4.58 0.00 1.61 0.92 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 57 V 9.72 4.34 2.32 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 0.97 0.00 0.00 1.03 0.00 0.00 58 G 7.97 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 0.00 0.00 0.00 59 P 0.00 4.85 0.00 2.12 2.08 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 60 Y 9.35 4.50 0.00 2.95 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 61 R 8.63 5.35 0.00 1.70 1.85 0.00 3.22 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 1.57 1.61 0.00 62 L 8.69 4.67 0.00 1.75 1.75 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.45 5.05 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 1.29 0.00 0.00 64 V 8.61 4.26 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 1.04 0.00 0.00 0.91 0.00 0.00 65 P 0.00 4.93 0.00 1.97 1.97 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 66 A 8.91 3.92 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 67 R 8.46 3.87 0.00 2.01 2.02 0.00 3.11 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 68 R 7.66 4.78 0.00 1.73 1.74 0.00 3.24 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 69 T 8.41 4.99 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 1.19 0.00 0.00 70 K 8.88 4.60 0.00 1.77 1.53 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.39 7.81 71 H 8.93 4.89 0.00 3.02 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.89 4.17 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 0.85 0.00 0.00 0.84 0.00 0.00 73 R 8.33 4.57 0.00 1.89 1.84 0.00 3.18 0.00 0.00 3.57 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 74 F 8.68 4.30 0.00 3.24 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 75 N 8.29 4.36 0.00 2.71 2.88 0.00 0.00 6.94 8.47 0.00 0.00 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 D 7.77 4.69 0.00 2.84 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 77 L 7.58 4.39 0.00 1.56 1.33 0.68 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.78 5.32 0.00 2.79 2.88 0.00 0.00 6.09 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 79 D 8.19 4.70 0.00 2.61 2.59 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 80 P 0.00 4.22 0.00 2.02 1.98 0.00 2.20 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.60 0.00 81 A 7.33 4.67 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 82 P 0.00 4.70 0.00 2.07 2.03 0.00 3.74 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 83 I 8.07 4.10 1.62 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.30 0.29 0.00 0.00 84 P 0.00 4.29 0.00 2.17 2.02 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.81 0.00 85 H 8.67 4.40 0.00 3.16 3.18 0.00 5.79 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.58 4.40 0.00 2.72 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 87 T 7.08 4.82 4.53 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 1.41 0.00 0.00 88 D 8.91 5.07 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 89 F 8.33 5.10 0.00 2.60 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 90 A 8.89 4.86 1.27 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 91 S 9.24 5.30 0.00 4.04 4.01 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 92 V 9.00 4.96 2.36 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 1.15 0.00 0.00 1.02 0.00 0.00 93 I 9.09 5.04 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.79 0.99 0.00 0.00 94 Q 9.17 5.26 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 95 S 9.10 5.27 0.00 3.90 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 96 N 9.09 4.55 0.00 2.90 2.98 0.00 0.00 5.86 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 97 V 7.22 4.58 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 0.74 0.00 0.00 0.94 0.00 0.00 98 P 0.00 4.74 0.00 1.99 2.13 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 99 I 9.02 4.87 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.95 0.95 0.00 0.00 100 V 8.64 4.62 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 0.79 0.00 0.00 1.06 0.00 0.00 101 V 6.12 4.39 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.24 0.00 0.00 102 Q 8.79 4.44 0.00 1.95 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.56 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 103 H 8.89 5.41 0.00 3.18 3.17 0.00 5.74 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.54 4.20 4.19 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.