NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.5133 8.1449 121.6784 57.6853 41.0492 174.8531 3 Y 4.0584 7.5629 119.3937 55.1768 38.8615 173.7408 4 P 4.4558 0.0000 0.0000 62.4873 33.2882 175.3847 5 V 4.2549 7.9440 118.9392 60.7158 32.8985 176.2471 6 S 4.3446 8.4086 122.2580 57.9228 65.0577 174.6716 7 A 3.9249 8.5295 124.5751 55.5850 18.0502 180.0693 8 L 3.9326 7.8486 116.7903 57.9229 41.6775 179.4092 9 L 3.8995 7.6299 119.9225 57.9357 41.9717 178.9252 10 I 3.5849 7.8513 120.1616 64.2615 36.9562 178.1604 11 E 3.8295 8.2085 119.2570 59.5188 29.2014 178.3593 12 Y 4.2348 7.7793 119.5104 61.0303 38.7370 178.4193 13 L 3.5089 7.9217 119.6976 57.6324 41.7137 179.5175 14 I 3.4394 8.0250 119.7969 64.4630 37.0970 178.3944 15 L 3.9524 8.1696 119.7698 57.7819 41.2055 179.6041 16 A 3.8505 7.8624 120.0290 55.0602 18.6190 179.5047 17 I 3.6370 7.9863 118.6353 64.5610 37.5494 178.9858 18 V 3.8573 8.4264 120.7502 65.1078 31.0428 178.1383 19 S 3.9747 7.8032 113.5887 60.9203 62.8348 176.1971 20 K 4.0908 7.5659 122.9377 58.0913 32.3248 176.0902 21 H 4.9935 7.0413 111.6901 53.4726 32.0139 172.0473 22 D 5.4003 9.1107 119.9292 54.9254 41.7969 176.0312 23 S 4.9333 8.6646 115.4415 57.0157 67.0244 172.9083 24 Y 5.2221 6.7158 119.3776 55.5355 39.7462 176.5609 25 G 4.0023 9.2564 108.0243 47.7567 0.0000 175.1514 26 Y 4.2730 8.5491 121.7776 60.3652 38.6952 177.5606 27 D 4.1416 8.0774 118.4422 57.3013 41.2531 178.1732 28 I 3.4976 7.2723 119.8494 64.2127 37.0719 178.3366 29 S 3.8660 8.3246 114.1761 61.5770 62.0302 176.1098 30 Q 3.8692 7.7058 119.5614 59.3222 28.5674 178.8896 31 T 4.0358 7.5048 116.5787 66.2757 68.5096 177.2132 32 I 3.6921 7.7945 122.0722 63.9552 36.8896 178.3013 33 K 4.6441 8.1364 119.8590 58.1150 31.8360 178.8236 34 L 4.1104 7.4116 118.9237 56.7918 41.5585 177.4889 35 I 4.3693 7.5810 115.2679 59.9686 40.4777 174.6670 36 A 4.6767 8.2468 123.0556 50.3828 21.2742 175.5659 37 S 4.4937 8.4066 117.7043 56.9359 62.4217 173.3787 38 I 4.5974 7.6817 123.9152 58.8088 41.1203 175.0496 39 K 4.4121 8.3799 125.9443 55.5846 33.3735 177.6055 40 E 4.2324 8.9837 121.3145 59.9341 29.1795 179.7865 41 S 4.4098 8.1559 111.9253 60.7571 63.3906 175.4247 42 T 4.3363 8.1558 119.7383 65.0350 69.0472 176.6879 43 L 3.9239 7.6279 121.8042 58.4417 42.2057 178.4119 44 Y 3.8204 8.5122 117.1052 60.5840 37.7579 176.8268 45 P 4.3280 0.0000 0.0000 65.5148 31.3134 178.7610 46 I 3.6593 7.3065 117.2427 64.3257 37.0391 178.0847 47 L 3.6960 7.8985 120.1818 57.8048 41.4152 179.6876 48 K 4.0029 8.4817 119.4852 59.3919 32.1159 178.4131 49 K 3.8252 8.6514 120.2669 59.9263 32.0639 178.6464 50 L 4.1292 8.2390 119.1261 57.4865 41.4943 179.2094 51 E 4.5264 8.2965 120.8328 58.8387 29.4924 178.5393 52 K 3.8588 8.4189 118.3190 59.6227 32.3120 177.9458 53 A 3.9909 7.9424 118.6361 52.8892 18.4267 178.2408 54 G 3.8116 8.1894 106.1060 45.0310 0.0000 174.2088 55 Y 4.7034 7.6846 118.0041 59.7524 39.4826 175.4829 56 L 5.4617 8.1151 118.8346 52.8330 45.2728 176.0668 57 S 5.3556 9.4107 118.0857 56.9368 66.1789 172.9081 58 T 5.7028 8.6001 109.6373 59.4704 71.8564 172.1812 59 Y 5.0451 7.7613 119.4424 56.3080 41.7066 173.4514 60 T 5.5568 8.3369 109.8736 60.2483 71.4595 173.6739 61 Q 4.6732 8.2362 120.6046 54.9982 32.5143 172.7272 62 E 4.5526 8.9512 127.5601 56.6403 30.7425 175.6761 63 H 4.6945 9.2829 126.1759 55.5561 32.3135 173.1330 64 Q 3.3692 9.5713 127.5293 57.2108 25.9884 174.7586 65 G 3.9557 8.6595 102.4223 45.5375 0.0000 173.7648 66 R 4.6869 7.5914 115.6376 53.8280 33.0121 174.7545 67 R 4.5305 8.7334 121.4960 56.5830 30.7312 176.1261 68 R 4.5551 9.2896 123.3087 54.1178 33.6431 175.3822 69 K 4.4880 8.3480 123.3286 56.0642 33.3215 175.0690 70 Y 4.6127 9.0028 126.4304 57.0312 40.0025 174.4172 71 Y 5.1594 8.8112 120.5812 56.7216 41.1596 174.3188 72 H 5.4493 9.3963 121.9596 53.1528 33.7782 171.9796 73 L 4.7686 8.4992 128.1423 55.0311 42.4297 176.5811 74 T 4.2866 8.9114 117.5603 61.2834 70.1654 175.4162 75 D 4.3389 8.9564 121.6955 57.8053 40.7393 179.0586 76 S 4.3081 8.2905 113.1183 61.3990 62.3503 176.4379 77 G 3.7414 8.4585 108.6158 47.7454 0.0000 175.5355 78 E 3.9604 8.7701 121.7699 59.0721 29.4208 179.2535 79 K 3.9165 8.3996 119.9063 59.9962 32.1408 178.2278 80 H 4.1803 8.1953 118.3920 59.1003 29.7075 176.9294 81 L 3.9022 8.5607 122.5833 58.0029 41.7819 179.1693 82 V 3.5888 7.7471 117.9587 66.0163 31.5033 177.2561 83 Y 4.0376 7.7680 119.0513 60.8759 38.5974 178.1550 84 L 3.5656 8.0160 119.9189 57.8124 41.5691 179.7218 85 T 3.7322 8.2342 117.2446 65.8104 68.3688 176.3732 86 K 3.7852 8.1579 121.8008 59.8300 32.1453 178.6473 87 E 3.7347 8.1925 118.8282 58.8839 29.1240 179.2514 88 W 4.1447 7.9512 128.8439 60.2181 30.4717 177.9926 89 S 3.7549 7.9842 112.5557 61.2677 61.9434 175.8422 90 V 3.6146 7.5446 119.5974 66.1459 31.4235 176.7567 91 Y 4.1778 8.1091 119.4033 60.7650 38.5149 179.0991 92 K 3.6597 7.5132 115.4076 57.6518 31.8463 178.7212 *94 T 4.1581 7.8032 118.0038 63.8049 70.5385 176.3185 95 I 3.4648 7.6843 122.1034 64.5869 37.0679 178.2940 96 D 4.2489 8.4053 120.1206 57.1585 40.5181 179.1724 97 G 3.5500 7.8587 105.8099 47.7240 0.0000 175.7401 98 I 3.9093 7.9516 124.0901 63.6648 36.9731 178.5810 99 V 3.5692 8.1588 118.1629 65.9682 31.4117 177.1597 100 E 4.2692 8.4079 115.8442 56.5669 29.7487 177.3116 101 G 4.0685 7.7949 107.1551 45.4001 0.0000 175.4590 102 R 3.9447 7.8879 118.0135 58.8140 29.9865 176.9157 103 I 4.2654 7.7841 120.1285 59.9529 37.8531 175.1405 104 R 4.6150 8.1262 123.4959 54.2367 34.0549 174.6074 105 H 4.1774 8.6678 118.9212 57.2051 29.1017 175.7588 106 D 4.9174 8.6281 117.4442 53.4684 39.4070 174.8961 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 Y 8.14 4.51 0.00 2.74 2.67 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 0.00 0.00 0.00 0.00 3 Y 7.56 4.06 0.00 3.24 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 4 P 0.00 4.46 0.00 2.17 2.04 0.00 3.61 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 2.03 2.05 0.00 5 V 7.94 4.25 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 0.78 0.00 0.00 0.94 0.00 0.00 6 S 8.41 4.34 0.00 4.07 3.97 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 0.00 0.00 0.00 7 A 8.53 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 3.93 0.00 1.65 1.70 0.93 0.56 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 9 L 7.63 3.90 0.00 1.64 1.50 0.68 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.85 3.58 1.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.68 0.79 0.00 0.00 11 E 8.21 3.83 0.00 2.23 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 2.33 2.45 0.00 12 Y 7.78 4.23 0.00 2.80 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.92 3.51 0.00 1.63 1.44 0.72 0.45 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 14 I 8.02 3.44 1.86 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.46 0.67 0.00 0.00 15 L 8.17 3.95 0.00 1.78 1.67 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.86 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.99 3.64 1.86 0.00 0.00 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 1.23 0.95 0.73 0.00 0.00 18 V 8.43 3.86 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 1.19 0.00 0.00 0.90 0.00 0.00 19 S 7.80 3.97 0.00 4.06 4.11 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 0.00 0.00 0.00 20 K 7.57 4.09 0.00 1.74 1.85 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.44 7.81 21 H 7.04 4.99 0.00 3.46 3.37 0.00 5.55 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 9.11 5.40 0.00 2.98 3.08 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 23 S 8.66 4.93 0.00 3.61 3.87 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 0.00 0.00 0.00 0.00 24 Y 6.72 5.22 0.00 2.93 2.47 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 0.00 0.00 0.00 0.00 25 G 9.26 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 26 Y 8.55 4.27 0.00 3.22 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.08 4.14 0.00 1.72 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 0.00 0.00 0.00 0.00 28 I 7.27 3.50 1.74 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.29 0.65 0.00 0.00 29 S 8.32 3.87 0.00 3.69 3.97 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 0.00 0.00 0.00 30 Q 7.71 3.87 0.00 1.73 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 1.23 1.76 0.00 31 T 7.50 4.04 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 1.09 0.00 0.00 32 I 7.79 3.69 1.83 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.67 0.79 0.00 0.00 33 K 8.14 4.64 0.00 1.82 1.82 0.00 1.59 0.00 0.00 1.52 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.36 7.81 34 L 7.41 4.11 0.00 1.86 1.69 0.88 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.58 4.37 1.84 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.91 0.87 0.00 0.00 36 A 8.25 4.68 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 37 S 8.41 4.49 0.00 3.84 3.83 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 38 I 7.68 4.60 1.83 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 1.39 0.85 0.85 0.00 0.00 39 K 8.38 4.41 0.00 1.88 1.73 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.46 7.81 40 E 8.98 4.23 0.00 2.06 2.29 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 2.49 2.40 0.00 41 S 8.16 4.41 0.00 4.05 4.02 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 42 T 8.16 4.34 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 43 L 7.63 3.92 0.00 1.76 1.69 0.25 0.73 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 44 Y 8.51 3.82 0.00 3.16 3.09 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 0.00 0.00 0.00 0.00 45 P 0.00 4.33 0.00 2.18 2.14 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 46 I 7.31 3.66 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.85 0.84 0.00 0.00 47 L 7.90 3.70 0.00 1.66 1.26 0.11 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.48 4.00 0.00 1.95 2.04 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.51 7.81 49 K 8.65 3.83 0.00 1.91 2.11 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.53 7.81 50 L 8.24 4.13 0.00 1.90 1.83 0.88 1.29 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 51 E 8.30 4.53 0.00 2.21 2.21 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 2.36 2.45 0.00 52 K 8.42 3.86 0.00 1.81 1.98 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.46 7.81 53 A 7.94 3.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.19 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 55 Y 7.68 4.70 0.00 3.11 2.97 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 0.00 0.00 0.00 56 L 8.12 5.46 0.00 1.72 1.77 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 57 S 9.41 5.36 0.00 3.94 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 58 T 8.60 5.70 4.02 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 1.04 0.00 0.00 59 Y 7.76 5.05 0.00 2.99 3.04 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 0.00 0.00 0.00 60 T 8.34 5.56 4.30 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 1.22 0.00 0.00 61 Q 8.24 4.67 0.00 2.27 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.14 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 62 E 8.95 4.55 0.00 2.31 1.87 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 0.00 2.29 1.88 0.00 63 H 9.28 4.69 0.00 3.39 3.05 0.00 5.99 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 9.57 3.37 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.98 0.00 0.00 0.00 0.00 0.00 2.14 1.92 0.00 65 G 8.66 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 0.00 0.00 0.00 66 R 7.59 4.69 0.00 1.73 1.91 0.00 2.66 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.49 0.00 67 R 8.73 4.53 0.00 1.72 1.95 0.00 3.35 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 68 R 9.29 4.56 0.00 1.60 1.42 0.00 2.82 0.00 0.00 2.83 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.00 0.00 69 K 8.35 4.49 0.00 1.75 1.60 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.66 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.85 1.23 7.81 70 Y 9.00 4.61 0.00 1.61 2.28 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 71 Y 8.81 5.16 0.00 3.03 2.86 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 72 H 9.40 5.45 0.00 3.53 3.46 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.50 4.77 0.00 1.66 1.52 0.94 1.03 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 74 T 8.91 4.29 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 1.39 0.00 0.00 75 D 8.96 4.34 0.00 2.75 2.81 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 76 S 8.29 4.31 0.00 3.95 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 77 G 8.46 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 0.00 0.00 0.00 78 E 8.77 3.96 0.00 2.19 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 2.35 2.34 0.00 79 K 8.40 3.92 0.00 1.85 2.03 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.50 7.81 80 H 8.20 4.18 0.00 3.02 2.99 0.00 5.84 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 81 L 8.56 3.90 0.00 1.79 1.84 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.75 3.59 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 1.05 0.00 0.00 1.02 0.00 0.00 83 Y 7.77 4.04 0.00 3.05 3.11 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 0.00 0.00 0.00 84 L 8.02 3.57 0.00 1.78 1.32 0.85 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.23 3.73 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 86 K 8.16 3.79 0.00 1.81 1.89 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.45 7.81 87 E 8.19 3.73 0.00 1.49 1.71 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 1.47 1.85 0.00 88 W 7.95 4.14 0.00 2.69 2.92 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 89 S 7.98 3.75 0.00 3.83 3.97 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 0.00 0.00 0.00 90 V 7.54 3.61 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 0.80 0.00 0.00 0.91 0.00 0.00 91 Y 8.11 4.18 0.00 3.10 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.51 3.66 0.00 1.55 1.45 0.00 1.51 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.75 0.21 7.81 *94 T 7.80 4.16 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 1.09 0.00 0.00 95 I 7.68 3.46 1.74 0.00 0.00 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 1.12 0.38 0.71 0.00 0.00 96 D 8.41 4.25 0.00 2.59 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 97 G 7.86 3.55 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 0.00 98 I 7.95 3.91 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.81 0.86 0.00 0.00 99 V 8.16 3.57 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 0.80 0.00 0.00 0.90 0.00 0.00 100 E 8.41 4.27 0.00 2.01 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 2.29 2.28 0.00 101 G 7.79 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.89 3.94 0.00 1.77 1.97 0.00 3.17 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 103 I 7.78 4.27 1.83 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 1.25 1.01 0.87 0.00 0.00 104 R 8.13 4.61 0.00 1.68 1.70 0.00 3.38 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 105 H 8.67 4.18 0.00 3.26 3.31 0.00 5.53 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.63 4.92 0.00 2.83 2.81 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 * Residues marked with a * may have inaccurate shift predictions.