NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.2828 8.2549 119.7052 55.9920 31.4963 174.8838 9 R 4.1874 8.1387 119.0635 55.0468 31.4125 174.8641 10 C 4.4129 9.1633 118.5463 60.0872 30.5845 172.4630 11 Q 5.1860 8.5889 120.6917 54.5311 31.3696 174.3609 12 A 4.7832 8.8729 122.7893 50.8947 23.4228 174.7496 13 Q 5.0378 8.5339 117.9274 54.2030 30.9539 175.5558 14 V 4.5505 8.8881 123.3453 61.2122 34.7261 174.4071 15 S 5.4029 8.7628 122.0055 56.7922 66.8467 173.2451 16 R 4.6756 8.9758 122.1093 54.6064 33.3822 173.6470 17 R 5.2947 8.7687 126.2145 54.6713 32.0652 174.7165 18 I 4.9959 8.9300 118.9586 59.2163 41.6989 173.9081 19 S 5.4770 8.6765 116.1235 56.6862 66.1516 173.0113 20 F 5.2866 8.9217 114.8099 55.6806 41.8989 173.1514 21 S 5.3499 9.2820 116.1427 57.1486 64.9172 173.2478 22 A 5.2914 9.0615 125.0429 50.7965 22.9206 175.0092 23 S 5.2858 8.6261 114.3435 57.3747 66.5167 172.5503 24 H 4.8098 8.6855 115.5247 55.2794 32.2406 172.1539 25 R 4.7516 9.3737 118.7147 54.6258 32.7772 174.1412 26 L 4.2647 8.5286 126.7008 53.8750 42.6063 175.5098 27 Y 4.9006 7.9937 120.1973 56.0520 40.4078 173.6304 28 S 4.5364 9.7220 119.4284 56.8097 64.5718 175.2917 29 K 4.1745 8.4446 129.4584 57.9703 31.7428 179.3139 *30 F 4.3426 7.8466 114.9989 58.2230 38.2845 179.1820 31 L 4.8810 7.6678 117.5682 53.6213 43.8994 176.5204 32 S 4.6475 8.2637 116.0428 57.3594 66.0187 175.0223 33 D 4.4429 8.6282 123.0662 58.1708 40.5389 179.4003 34 E 4.0079 8.1600 118.2674 61.3590 29.7799 180.8347 35 E 4.2268 7.8552 118.8327 59.1484 29.4378 179.2231 36 N 4.5102 8.5084 116.8730 56.0182 38.5595 177.3114 37 L 3.9862 7.9763 121.8276 58.0154 42.0267 178.8748 38 K 3.8766 7.6958 118.1688 59.4172 32.1898 178.1851 39 L 3.9243 7.6793 119.3712 57.4051 42.2607 177.9354 40 F 4.9137 8.4971 115.9781 55.9953 40.1019 177.3724 41 G 3.9036 8.9074 108.8446 46.1299 0.0000 177.2085 42 K 3.9733 8.6799 122.3228 59.6349 32.7055 178.6600 43 C 4.0113 7.9564 117.1879 61.8586 28.0572 174.2360 44 N 4.8164 8.0576 116.3475 52.2561 38.8689 174.0097 45 N 4.0968 8.0488 116.3274 54.2444 39.2444 173.1618 46 P 4.1463 0.0000 0.0000 65.8552 31.4622 176.9032 47 N 4.4743 8.0909 111.7478 53.0224 38.7047 175.4014 48 G 3.9066 9.6535 106.4244 45.2341 0.0000 171.0859 49 H 4.8078 8.5474 112.3884 55.2455 32.0166 172.0402 50 G 4.5223 8.2595 104.3378 46.2728 0.0000 171.7562 51 H 4.8086 8.9145 115.2764 54.3393 33.6265 173.6590 52 N 5.0064 8.5343 119.5056 52.4863 38.0057 174.1159 53 Y 4.2046 8.6308 122.5042 57.5229 39.4762 174.8608 54 K 5.0363 8.9972 122.4771 54.6179 35.4868 175.3054 55 V 5.0465 9.1165 123.9624 61.1794 34.8477 174.0923 56 V 4.8244 9.1458 128.3042 61.3190 33.7027 174.1500 57 V 4.8012 8.7529 128.4923 61.5482 33.7016 174.2713 58 T 5.1622 9.1206 124.8269 61.9724 71.2713 173.8930 59 V 5.0603 8.8723 119.3710 59.9616 35.2870 174.1501 60 H 5.3498 9.6612 117.0796 53.7506 32.0497 173.5570 61 G 3.8967 7.6931 106.3089 44.6196 0.0000 170.9591 62 E 4.4527 7.8580 120.1489 55.9950 30.9816 176.4623 63 I 4.1999 8.5357 128.2473 60.7340 37.7811 175.5384 64 D 4.4962 8.8831 128.4561 54.2249 41.4526 175.6536 65 P 4.3279 0.0000 0.0000 64.4766 32.1045 176.9371 66 A 4.3329 8.8158 122.2273 53.6226 19.3250 178.0182 67 T 4.2486 8.1323 103.4571 61.0387 70.0366 175.8069 68 G 3.9249 8.3805 109.8543 45.7613 0.0000 172.9259 69 M 4.6867 7.4525 119.6497 53.2021 34.3480 177.3431 70 V 3.7473 8.4086 122.3089 65.2261 32.0872 176.1099 71 M 4.7097 7.4888 116.4899 53.7137 35.1872 173.3124 72 N 4.4330 8.7908 124.5882 53.3886 39.7493 175.5166 73 L 3.9744 8.7629 125.8804 57.9030 41.5051 179.3385 74 A 4.0357 8.5901 120.9587 54.8650 18.2174 179.5067 75 D 4.0046 8.1907 117.9291 57.3913 40.9339 178.6774 76 L 4.1566 7.8408 120.4027 57.8712 42.0594 178.6610 77 K 3.9244 8.1462 119.7007 59.4391 32.1374 178.9432 78 K 3.8862 7.5745 118.6767 59.6966 31.8808 178.8862 79 Y 4.3148 7.6794 116.9404 61.5548 37.7564 178.8115 80 M 4.1277 8.2506 119.6121 58.1526 31.9822 178.3718 81 E 3.9263 8.5516 120.0417 59.2582 29.5747 178.5469 82 E 4.0848 8.0984 118.1154 58.9049 29.8923 177.9373 83 A 4.2521 8.2630 119.3928 53.2871 19.1914 176.9220 84 I 4.2369 7.6337 115.5555 63.3455 39.9198 177.8676 85 M 3.9698 7.9937 118.8022 58.7458 32.2526 178.8312 86 Q 3.9973 8.1827 116.6223 58.4616 28.9181 176.6774 87 P 4.4787 0.0000 0.0000 64.2380 31.9343 176.6403 88 L 4.3667 7.5391 117.1482 54.7746 43.4859 176.3108 89 D 4.5694 8.0843 118.8834 55.1587 41.8794 175.6174 90 H 4.1175 9.3513 123.9591 57.2353 26.8734 174.3715 91 K 4.6561 7.5665 116.2734 54.5217 36.3999 175.4145 92 N 5.2214 9.4158 119.4470 51.4301 39.7022 175.8284 93 L 3.9447 9.0072 127.2563 58.1490 41.8390 179.6391 94 D 4.5747 7.8422 116.2218 56.6475 40.9471 177.2060 95 M 4.4717 8.2010 116.6460 55.6023 33.4050 176.2171 96 D 4.6971 8.3119 116.4113 53.7898 42.6469 176.1832 97 V 4.2725 7.5419 119.1978 60.2214 32.1721 173.8460 98 P 4.2526 0.0000 0.0000 65.8977 31.5043 178.0531 99 Y 3.9617 8.2889 118.4733 60.7899 38.4988 177.3408 100 F 4.6364 8.1391 115.0569 57.4518 39.0423 176.4611 101 A 4.1892 8.2967 128.9911 55.4404 18.1817 179.2763 102 D 4.8769 7.7272 112.3076 52.6302 41.5278 177.7669 103 V 4.3436 6.8667 119.8541 61.3524 34.2202 175.4455 104 V 3.6357 8.3326 127.0591 62.9898 32.0736 176.0396 105 S 4.3782 8.3037 123.7526 58.4356 63.4439 174.8961 106 T 4.1791 7.6099 110.8842 62.9940 70.9278 174.1861 107 T 4.0301 8.4809 118.4621 66.6215 68.5030 176.6746 108 E 3.9763 8.2844 120.2699 59.8268 29.5808 179.0949 109 N 4.5503 8.0898 116.0501 55.8234 38.5980 177.8698 110 V 3.9263 8.1113 120.0129 65.9461 31.5793 177.8726 111 A 4.1231 8.2935 120.6932 55.1996 18.1541 179.8450 112 V 3.0815 7.6774 116.6980 65.9635 31.5146 177.4846 113 Y 3.6218 8.1368 119.3081 60.7456 38.5852 178.3504 114 I 3.5336 8.0675 120.5637 63.9399 37.1457 177.9237 115 W 4.1703 8.4429 129.3639 60.9738 30.6391 177.7794 116 D 4.4044 8.4609 118.6251 57.3637 39.9704 178.6335 117 N 4.1100 7.7118 116.2665 56.0298 38.8020 177.0676 118 L 3.9777 8.1092 120.7275 58.0475 41.5207 179.7491 119 Q 3.9889 7.7155 116.4633 58.5458 28.6482 178.5065 120 K 4.1148 7.5654 117.4189 57.8205 32.1491 177.6129 121 V 4.1985 7.8204 117.5821 62.5639 33.6407 175.5004 122 L 3.6220 7.1805 117.9992 51.9864 43.0952 174.5088 123 P 4.2201 0.0000 0.0000 62.2880 31.8857 176.3378 124 V 3.4780 8.1452 120.9651 65.0273 31.5724 176.3647 125 G 4.0027 8.9841 114.7198 45.4731 0.0000 174.1423 126 V 3.9424 7.2207 113.0690 62.7714 32.3276 176.4252 127 L 4.1343 7.5730 121.6390 55.1219 42.3880 175.0302 128 Y 4.6734 8.6315 127.1100 58.8546 40.8600 175.6868 129 K 4.8139 7.7496 117.5595 55.2851 36.0463 174.3808 130 V 4.9629 9.0435 126.3638 61.0211 34.5200 173.8737 131 K 5.0550 9.2682 129.2552 54.5652 35.1405 174.5956 132 V 4.9647 9.0002 127.2630 61.4478 34.5580 173.6233 133 Y 4.8620 9.5056 126.7029 56.6659 38.4858 176.4061 134 E 3.4553 8.8849 127.3140 58.4986 29.9267 176.1446 135 T 4.6613 7.3233 106.6198 59.6877 72.0907 173.7729 136 D 4.4198 8.7774 120.3768 56.9594 40.6815 177.4449 137 N 4.8566 8.3571 113.6838 52.8103 39.8522 173.9720 138 N 5.0016 8.1122 116.4923 51.5048 41.6129 173.4874 139 I 4.9075 8.3374 123.7931 59.2445 41.1742 175.1963 140 V 4.4472 8.7578 125.1103 61.0109 34.6545 174.2268 141 V 4.8797 8.4556 126.6740 61.2266 33.7198 173.7082 142 Y 4.7257 9.0491 128.8347 55.4757 41.5308 175.7393 143 K 3.9900 7.3630 123.8932 55.7309 33.3282 176.4713 144 G 2.4117 5.3800 104.9766 44.8316 0.0000 174.0473 145 E 4.0612 6.9435 124.0163 55.9774 29.7889 175.9659 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 8 R 8.25 4.28 0.00 1.81 1.92 0.00 3.16 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 9 R 8.14 4.19 0.00 2.00 1.84 0.00 3.36 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 10 C 9.16 4.41 0.00 2.87 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 11 Q 8.59 5.19 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 12 A 8.87 4.78 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 13 Q 8.53 5.04 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.63 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 14 V 8.89 4.55 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 1.10 0.00 0.00 0.94 0.00 0.00 15 S 8.76 5.40 0.00 3.80 3.77 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 0.00 0.00 0.00 16 R 8.98 4.68 0.00 1.87 1.76 0.00 3.08 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 17 R 8.77 5.29 0.00 1.88 1.81 0.00 3.12 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 18 I 8.93 5.00 1.97 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 1.40 1.33 0.97 0.00 0.00 19 S 8.68 5.48 0.00 3.85 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 20 F 8.92 5.29 0.00 3.20 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 21 S 9.28 5.35 0.00 3.58 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 22 A 9.06 5.29 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 23 S 8.63 5.29 0.00 3.98 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 24 H 8.69 4.81 0.00 3.25 3.31 0.00 5.23 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 9.37 4.75 0.00 1.66 1.75 0.00 3.25 0.00 0.00 2.82 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 26 L 8.53 4.26 0.00 1.21 0.13 0.88 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.99 4.90 0.00 3.08 2.79 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 28 S 9.72 4.54 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 4.17 0.00 1.82 1.71 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *30 F 7.85 4.34 0.00 2.34 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 0.00 0.00 0.00 0.00 31 L 7.67 4.88 0.00 1.65 1.70 0.94 0.84 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 32 S 8.26 4.65 0.00 4.06 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 D 8.63 4.44 0.00 2.73 2.78 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 0.00 0.00 0.00 34 E 8.16 4.01 0.00 1.97 1.96 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 2.32 1.98 0.00 35 E 7.86 4.23 0.00 2.24 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 2.32 2.35 0.00 36 N 8.51 4.51 0.00 2.87 3.12 0.00 0.00 6.61 6.44 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 37 L 7.98 3.99 0.00 1.93 1.82 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.70 3.88 0.00 2.07 1.79 0.00 1.97 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.32 7.81 39 L 7.68 3.92 0.00 1.44 1.22 0.67 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.50 4.91 0.00 3.29 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 41 G 8.91 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 42 K 8.68 3.97 0.00 2.02 2.08 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.49 1.03 7.81 43 C 7.96 4.01 0.00 3.24 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 44 N 8.06 4.82 0.00 2.87 3.07 0.00 0.00 7.04 7.47 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 45 N 8.05 4.10 0.00 2.95 2.74 0.00 0.00 7.14 7.32 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 46 P 0.00 4.15 0.00 2.04 2.06 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 2.01 2.10 0.00 47 N 8.09 4.47 0.00 2.69 2.82 0.00 0.00 7.09 7.65 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 48 G 9.65 3.91 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 0.00 49 H 8.55 4.81 0.00 3.12 3.35 0.00 5.27 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 50 G 8.26 4.52 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 0.00 51 H 8.91 4.81 0.00 2.01 2.60 0.00 5.61 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 52 N 8.53 5.01 0.00 2.51 2.72 0.00 0.00 7.01 7.46 0.00 0.00 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 Y 8.63 4.20 0.00 1.43 2.26 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 0.00 54 K 9.00 5.04 0.00 1.58 1.59 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.23 7.81 55 V 9.12 5.05 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 1.24 0.00 0.00 1.30 0.00 0.00 56 V 9.15 4.82 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 1.06 0.00 0.00 1.13 0.00 0.00 57 V 8.75 4.80 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 0.92 0.00 0.00 1.00 0.00 0.00 58 T 9.12 5.16 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 1.43 0.00 0.00 59 V 8.87 5.06 2.17 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 0.76 0.00 0.00 1.03 0.00 0.00 60 H 9.66 5.35 0.00 3.02 3.03 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.69 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 E 7.86 4.45 0.00 2.04 1.80 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 2.36 2.33 0.00 63 I 8.54 4.20 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 1.11 0.74 0.93 0.00 0.00 64 D 8.88 4.50 0.00 2.80 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 65 P 0.00 4.33 0.00 2.21 2.15 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 66 A 8.82 4.33 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 67 T 8.13 4.25 4.24 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 1.21 0.00 0.00 68 G 8.38 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 0.00 0.00 0.00 69 M 7.45 4.69 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 70 V 8.41 3.75 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 1.00 0.00 0.00 1.00 0.00 0.00 71 M 7.49 4.71 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 72 N 8.79 4.43 0.00 2.76 2.84 0.00 0.00 7.20 6.66 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 73 L 8.76 3.97 0.00 1.73 1.73 0.93 0.81 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 74 A 8.59 4.04 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 75 D 8.19 4.00 0.00 2.82 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 76 L 7.84 4.16 0.00 1.83 1.83 1.02 0.42 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 77 K 8.15 3.92 0.00 1.88 1.98 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.49 7.81 78 K 7.57 3.89 0.00 1.71 1.63 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.35 7.81 79 Y 7.68 4.31 0.00 3.12 2.87 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 80 M 8.25 4.13 0.00 2.13 2.33 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.59 0.00 81 E 8.55 3.93 0.00 2.14 2.13 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 2.30 2.36 0.00 82 E 8.10 4.08 0.00 2.04 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 2.32 2.32 0.00 83 A 8.26 4.25 1.32 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 0.00 0.00 84 I 7.63 4.24 2.01 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 1.30 0.82 0.80 0.00 0.00 85 M 7.99 3.97 0.00 2.06 2.33 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.54 0.00 86 Q 8.18 4.00 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 87 P 0.00 4.48 0.00 2.29 2.24 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 88 L 7.54 4.37 0.00 0.91 0.89 0.55 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.08 4.57 0.00 2.69 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 90 H 9.35 4.12 0.00 3.30 3.40 0.00 5.84 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.57 4.66 0.00 1.84 1.65 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.56 1.54 7.81 92 N 9.42 5.22 0.00 2.68 2.84 0.00 0.00 7.12 6.55 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 93 L 9.01 3.94 0.00 1.50 1.19 0.48 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.84 4.57 0.00 2.76 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 95 M 8.20 4.47 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 96 D 8.31 4.70 0.00 2.79 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 97 V 7.54 4.27 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.96 0.00 0.00 98 P 0.00 4.25 0.00 2.27 2.14 0.00 3.74 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 2.16 2.13 0.00 99 Y 8.29 3.96 0.00 2.88 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 0.00 100 F 8.14 4.64 0.00 3.38 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 0.00 101 A 8.30 4.19 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.73 4.88 0.00 2.65 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 0.00 103 V 6.87 4.34 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 0.90 0.00 0.00 0.38 0.00 0.00 104 V 8.33 3.64 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 0.73 0.00 0.00 0.90 0.00 0.00 105 S 8.30 4.38 0.00 3.58 3.44 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 0.00 106 T 7.61 4.18 4.50 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 1.30 0.00 0.00 107 T 8.48 4.03 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 1.33 0.00 0.00 108 E 8.28 3.98 0.00 2.08 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 2.42 2.50 0.00 109 N 8.09 4.55 0.00 3.09 3.21 0.00 0.00 6.73 7.58 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 0.00 110 V 8.11 3.93 2.26 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 1.03 0.00 0.00 0.75 0.00 0.00 111 A 8.29 4.12 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.68 3.08 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 0.89 0.00 0.00 0.17 0.00 0.00 113 Y 8.14 3.62 0.00 2.82 3.22 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 0.00 114 I 8.07 3.53 2.15 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.73 0.98 0.00 0.00 115 W 8.44 4.17 0.00 3.76 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.46 4.40 0.00 2.68 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 0.00 117 N 7.71 4.11 0.00 2.48 2.63 0.00 0.00 7.07 7.37 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 0.00 118 L 8.11 3.98 0.00 1.63 1.45 0.86 0.93 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 0.00 119 Q 7.72 3.99 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 1.89 2.25 0.00 120 K 7.57 4.11 0.00 1.80 1.79 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.57 7.81 121 V 7.82 4.20 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 0.80 0.00 0.00 0.99 0.00 0.00 122 L 7.18 3.62 0.00 1.32 1.18 0.65 0.25 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 0.00 123 P 0.00 4.22 0.00 2.10 1.93 0.00 3.29 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 124 V 8.15 3.48 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 0.75 0.00 0.00 0.90 0.00 0.00 125 G 8.98 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 0.00 126 V 7.22 3.94 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 0.69 0.00 0.00 0.87 0.00 0.00 127 L 7.57 4.13 0.00 1.10 0.91 0.72 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 8.63 4.67 0.00 2.59 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 0.00 129 K 7.75 4.81 0.00 1.47 1.66 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.30 7.81 130 V 9.04 4.96 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 1.20 0.00 0.00 1.18 0.00 0.00 131 K 9.27 5.05 0.00 1.89 1.71 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.58 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.12 1.22 7.81 132 V 9.00 4.96 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 1.26 0.00 0.00 1.09 0.00 0.00 133 Y 9.51 4.86 0.00 2.84 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 0.00 134 E 8.88 3.46 0.00 1.90 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 1.63 1.67 0.00 135 T 7.32 4.66 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 1.14 0.00 0.00 136 D 8.78 4.42 0.00 2.69 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 0.00 137 N 8.36 4.86 0.00 2.68 2.84 0.00 0.00 6.78 8.85 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 0.00 138 N 8.11 5.00 0.00 2.55 2.68 0.00 0.00 6.68 7.14 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 0.00 139 I 8.34 4.91 1.67 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.47 0.45 0.00 0.00 140 V 8.76 4.45 2.12 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 0.99 0.00 0.00 0.95 0.00 0.00 141 V 8.46 4.88 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 0.80 0.00 0.00 0.89 0.00 0.00 142 Y 9.05 4.73 0.00 2.95 2.74 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 0.00 143 K 7.36 3.99 0.00 1.30 1.30 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.54 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.91 1.12 7.81 144 G 5.38 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 6.94 4.06 0.00 1.63 1.69 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 2.12 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.