NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1631 8.3049 120.3351 53.9039 34.3343 175.4663 2 F 4.8181 7.5516 128.7093 55.8364 39.0650 173.7586 3 K 4.5735 9.8149 127.1894 57.0146 35.4097 176.4547 4 T 5.1277 7.9828 116.4431 61.9860 72.7615 172.8249 5 I 4.8395 9.1268 127.4120 59.2391 40.7490 174.2146 6 L 5.0365 8.9157 128.4003 53.1653 44.7990 174.5110 7 L 5.0438 9.0161 128.8467 53.5964 43.8866 174.6817 8 A 4.9539 8.6086 129.0373 50.9186 19.9062 175.5035 9 Y 4.7493 9.1411 124.9461 55.8227 41.0767 175.0807 10 D 4.7364 8.1541 123.5974 52.5106 40.3082 176.7541 11 G 3.6426 6.6951 107.1293 46.1634 0.0000 174.6183 12 S 4.3668 7.8075 115.6023 57.5542 65.3151 174.9518 13 E 3.9069 8.5578 121.5702 59.8538 29.0661 179.3010 14 H 4.0435 8.1974 115.5857 58.8780 28.8330 177.5553 15 A 3.9471 7.9869 122.4444 54.9516 18.1571 179.9551 16 R 4.1333 8.1230 117.1056 59.4797 30.1279 179.4119 17 R 4.2254 8.4217 119.0651 58.7227 30.0480 178.9270 18 A 4.0368 8.3943 120.5853 55.0086 18.2252 179.5377 19 A 4.0130 8.2230 119.3905 55.4120 18.1042 179.6967 20 E 3.9039 8.0949 116.6264 59.5658 29.5113 179.8331 21 V 3.6012 7.9419 118.0643 65.8704 31.5965 177.9566 22 A 3.9638 8.4736 121.0432 54.9911 18.1875 179.5090 23 K 3.8659 8.3982 118.2335 59.6301 32.1909 178.9553 24 A 4.0146 8.0854 121.0985 55.0823 18.3600 179.5152 25 E 3.9800 8.4653 117.0279 59.5214 29.5751 179.4011 26 A 4.0467 8.1668 120.8556 55.0731 18.0589 179.3118 27 E 3.8613 8.4397 117.6598 59.4929 29.5583 178.9471 28 A 4.0035 8.1851 119.7230 54.7289 18.5239 178.2982 29 H 4.7270 8.1092 111.6813 54.4524 29.8908 174.9408 30 G 3.8392 7.7721 108.1752 46.6963 0.0000 173.4521 31 A 4.9046 7.9218 119.5512 49.9219 21.9351 177.5172 32 R 4.3306 8.6236 120.1685 55.4135 31.7093 174.8849 33 L 5.2005 8.4979 127.6789 53.3502 44.3604 175.2046 34 I 4.8031 8.7633 126.5129 59.5623 40.6988 174.7721 35 V 4.9458 8.8136 119.3432 59.6980 34.7278 175.2091 36 V 5.0755 8.8479 116.9998 59.9042 36.1537 174.0462 37 H 5.4112 9.2203 123.0261 54.4928 32.9535 171.8166 38 A 5.0213 8.6371 127.3486 50.6371 20.7355 175.5171 39 Y 4.8111 8.2840 121.7596 55.8254 41.1468 175.6107 40 E 4.6334 8.8383 118.7191 54.8413 31.9568 173.2982 41 P 4.0875 0.0000 0.0000 63.5229 30.7027 177.0447 *56 R 4.1770 7.9585 124.0141 57.5193 32.4182 174.9781 57 R 4.3005 8.1634 118.3941 59.9237 29.9803 178.7005 58 R 3.8533 7.8390 118.0349 59.3665 30.1313 178.3562 59 L 3.5241 7.5572 118.2043 57.5533 41.2698 178.9517 60 E 3.8914 8.2066 118.6548 59.5942 29.4738 179.5075 61 R 3.9302 8.0811 118.1976 59.4008 30.1164 178.3785 62 A 4.1564 8.2593 120.7884 55.3101 18.3558 179.4974 63 E 4.0580 8.7416 117.7398 59.2795 29.4937 179.7193 64 G 3.6463 8.1544 105.9193 47.8319 0.0000 175.8119 65 V 3.6651 7.7522 120.9463 65.6965 31.5722 177.9002 66 L 3.9780 8.1771 120.0751 58.1289 41.8637 178.6696 67 E 3.9473 8.5654 119.1263 59.3716 29.3611 178.9847 68 E 3.8692 8.3254 119.1617 59.1278 29.7579 178.7077 69 A 3.1316 7.4971 120.6020 54.7485 18.1520 179.6189 70 R 3.7851 7.9909 117.0889 59.2093 29.8715 178.6416 71 A 3.9337 7.7387 120.1836 55.1450 18.4937 179.3508 72 L 4.1098 7.8865 116.4073 56.8910 40.5162 178.6144 73 T 4.4504 7.7813 107.9163 60.4559 69.6113 176.0232 74 G 3.7360 8.1430 109.2695 46.0754 0.0000 174.2859 75 V 3.8272 6.9265 110.9001 59.9425 32.2789 174.5100 76 P 4.5453 0.0000 0.0000 62.0787 32.4940 177.4151 77 K 3.8647 8.7576 118.3927 59.9294 31.9181 179.1318 78 E 4.1695 8.1502 115.2025 58.3241 29.6556 176.8498 79 D 4.9161 8.5282 118.9091 53.7031 42.3369 175.4729 80 A 5.0832 8.0585 120.8105 50.2565 21.2062 176.1528 81 L 4.8001 9.0723 122.5795 53.4212 45.1109 175.9279 82 L 5.1164 8.5889 123.1327 53.7495 43.0340 175.8642 83 L 4.9079 8.8707 122.4629 52.8090 46.0579 174.8619 84 E 4.1160 8.4892 120.2624 55.1854 32.5906 174.0220 85 G 3.5771 7.9605 110.1119 43.7683 0.0000 173.8528 86 V 3.5911 8.3375 118.5462 62.2055 32.5061 174.5657 87 P 4.1483 0.0000 0.0000 66.0350 31.2233 178.3458 88 A 4.0567 7.9750 118.5495 55.2932 18.1758 179.3407 89 E 3.8596 8.1310 116.3347 59.3455 29.5671 179.3265 90 A 3.9076 8.0098 120.7699 55.1462 18.4074 179.5257 91 I 3.6292 8.1302 118.7173 64.7667 37.2071 178.6846 92 L 3.9619 8.1253 119.7594 57.6583 41.3405 179.3849 93 Q 3.9039 8.3956 119.5889 59.2393 29.0216 178.2336 94 A 3.9564 8.1667 121.5642 55.0717 18.2924 179.4821 95 A 3.9365 8.3438 119.6780 55.2498 18.5484 180.1973 96 R 3.8387 8.2397 116.4680 59.3547 29.9876 179.0123 97 A 4.0350 7.9806 119.4300 54.8770 18.4868 178.6295 98 E 4.2529 8.2284 113.7565 55.1598 30.6742 176.2323 99 K 3.7651 7.8222 117.2078 57.1052 30.2381 175.5750 100 A 4.2633 8.2325 120.4943 52.8148 19.1113 177.7993 101 D 4.9547 9.1690 120.8702 54.5786 42.5839 176.5763 102 L 4.4803 7.4927 119.7868 53.6578 45.8017 173.6757 103 I 4.8780 8.4430 126.4200 59.5145 39.9485 174.5417 104 V 4.9080 8.8301 127.2633 61.3160 33.9917 174.2526 105 M 4.9482 8.8053 123.7870 54.0072 35.0003 174.2457 106 G 4.1533 8.4999 107.0188 46.1074 0.0000 174.0502 107 T 4.1332 8.8813 111.4627 63.9882 70.0027 174.3019 108 R 4.6353 7.3762 118.3303 54.5073 35.0406 173.6900 109 G 3.8174 7.7783 106.4939 45.2285 0.0000 174.2241 110 L 3.9726 8.2096 120.1954 57.4736 41.7765 178.1360 111 G 3.9037 7.9086 105.4113 45.1189 0.0000 173.2996 112 A 4.1493 7.6193 123.0597 51.8661 18.7077 178.1976 113 L 4.5527 8.3926 120.3243 53.7510 43.5955 177.6673 114 G 3.9392 8.3599 106.2559 45.8727 0.0000 174.1984 115 S 4.5341 7.8618 115.7771 59.1812 64.2001 174.8385 116 L 4.5014 7.5772 118.8808 53.6275 42.3581 176.9481 117 F 4.4112 8.8350 115.7354 58.7446 38.3837 175.3147 118 L 3.9585 6.7418 119.1562 53.7263 44.3281 173.8727 119 G 3.7701 8.3478 115.0658 45.4381 0.0000 174.7582 120 S 4.0622 8.4495 115.2387 61.2617 63.0571 176.7885 121 Q 3.9670 7.9119 121.2745 58.8658 28.5073 178.4778 122 S 4.0936 7.9133 115.7239 61.4716 62.8759 176.5846 123 Q 3.9421 8.2660 121.1036 59.0708 28.3622 179.0260 124 R 3.9323 7.9502 119.0182 59.3040 30.1283 179.3853 125 V 3.5823 7.9575 118.0763 65.9199 31.3079 178.2652 126 V 3.5907 7.8886 117.1451 65.9560 31.4378 177.6684 127 A 4.2436 8.0734 119.5161 54.0959 18.1978 177.8268 128 E 4.5706 7.4707 113.8525 55.6519 30.9998 175.9460 129 A 4.0880 7.8584 122.8561 52.0271 18.7455 176.2390 130 P 4.6500 0.0000 0.0000 62.5326 31.5994 174.6880 131 C 4.7408 7.2648 112.4545 57.2902 32.1265 171.4412 132 P 4.5373 0.0000 0.0000 62.8049 32.3130 175.8449 133 V 4.7616 8.1626 120.9247 61.1040 34.4233 174.3219 134 L 4.5037 8.9652 130.8381 53.6411 43.3851 174.8924 135 L 4.9495 8.4586 127.2484 53.6302 42.9926 176.2731 136 V 4.4008 8.6246 124.9620 60.8423 33.7457 175.9263 137 R 4.5440 8.5110 122.8155 55.7474 29.6849 176.1565 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 M 8.30 4.16 0.00 1.62 1.80 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.81 0.00 2 F 7.55 4.82 0.00 2.92 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 3 K 9.81 4.57 0.00 1.89 1.86 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 4 T 7.98 5.13 4.39 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 1.26 0.00 0.00 5 I 9.13 4.84 1.83 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 0.94 0.81 0.80 0.00 0.00 6 L 8.92 5.04 0.00 1.62 1.45 0.91 0.35 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 7 L 9.02 5.04 0.00 1.78 1.52 1.00 0.73 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 8 A 8.61 4.95 1.25 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 0.00 0.00 0.00 9 Y 9.14 4.75 0.00 2.87 2.85 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 10 D 8.15 4.74 0.00 2.74 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 11 G 6.70 3.64 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 0.00 0.00 0.00 12 S 7.81 4.37 0.00 4.02 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 13 E 8.56 3.91 0.00 1.96 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 2.38 2.32 0.00 14 H 8.20 4.04 0.00 3.26 3.34 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.99 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.12 4.13 0.00 2.05 2.05 0.00 3.37 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.89 0.00 17 R 8.42 4.23 0.00 2.00 1.97 0.00 3.12 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 18 A 8.39 4.04 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 19 A 8.22 4.01 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 3.90 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 2.35 2.55 0.00 21 V 7.94 3.60 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 1.02 0.00 0.00 0.94 0.00 0.00 22 A 8.47 3.96 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 23 K 8.40 3.87 0.00 1.90 1.98 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 24 A 8.09 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.47 3.98 0.00 2.18 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 0.00 2.51 2.46 0.00 26 A 8.17 4.05 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.44 3.86 0.00 2.10 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 2.31 2.38 0.00 28 A 8.19 4.00 1.26 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 0.00 0.00 29 H 8.11 4.73 0.00 3.37 3.61 0.00 5.99 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.77 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 0.00 0.00 0.00 31 A 7.92 4.90 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 32 R 8.62 4.33 0.00 1.93 1.81 0.00 3.06 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 33 L 8.50 5.20 0.00 1.64 1.50 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.76 4.80 1.86 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 1.22 0.87 0.94 0.00 0.00 35 V 8.81 4.95 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 0.68 0.00 0.00 0.86 0.00 0.00 36 V 8.85 5.08 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 0.72 0.00 0.00 0.95 0.00 0.00 37 H 9.22 5.41 0.00 3.34 3.21 0.00 5.76 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 38 A 8.64 5.02 1.11 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 0.00 0.00 39 Y 8.28 4.81 0.00 3.10 3.07 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 40 E 8.84 4.63 0.00 1.77 1.76 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 2.17 1.90 0.00 41 P 0.00 4.09 0.00 2.04 2.08 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.28 0.00 *56 R 7.96 4.18 0.00 1.84 1.86 0.00 3.25 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.26 0.00 57 R 8.16 4.30 0.00 1.89 1.93 0.00 3.23 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 58 R 7.84 3.85 0.00 1.94 1.81 0.00 3.33 0.00 0.00 3.63 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 59 L 7.56 3.52 0.00 1.71 1.50 0.79 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.21 3.89 0.00 2.13 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 2.31 2.36 0.00 61 R 8.08 3.93 0.00 1.88 2.06 0.00 3.11 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 62 A 8.26 4.16 1.45 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 0.00 0.00 0.00 63 E 8.74 4.06 0.00 2.13 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 2.32 2.50 0.00 64 G 8.15 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.75 3.67 2.15 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 0.90 0.00 0.00 0.93 0.00 0.00 66 L 8.18 3.98 0.00 1.97 1.83 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.57 3.95 0.00 2.18 1.97 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 2.32 2.57 0.00 68 E 8.33 3.87 0.00 2.08 2.18 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 2.36 2.35 0.00 69 A 7.50 3.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.99 3.79 0.00 1.84 1.98 0.00 3.07 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 71 A 7.74 3.93 1.34 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 0.00 0.00 72 L 7.89 4.11 0.00 1.60 1.71 0.93 0.80 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 73 T 7.78 4.45 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 1.14 0.00 0.00 74 G 8.14 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 75 V 6.93 3.83 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 0.75 0.00 0.00 0.89 0.00 0.00 76 P 0.00 4.55 0.00 2.21 2.17 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.98 0.00 77 K 8.76 3.86 0.00 1.83 1.91 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.47 7.81 78 E 8.15 4.17 0.00 1.95 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 2.31 2.33 0.00 79 D 8.53 4.92 0.00 2.69 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 80 A 8.06 5.08 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 81 L 9.07 4.80 0.00 1.55 1.56 0.95 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.59 5.12 0.00 1.61 1.76 1.09 1.10 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 83 L 8.87 4.91 0.00 1.47 1.44 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.49 4.12 0.00 1.25 1.51 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 1.69 2.03 0.00 85 G 7.96 3.58 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 0.00 0.00 0.00 86 V 8.34 3.59 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 1.03 0.00 0.00 0.90 0.00 0.00 87 P 0.00 4.15 0.00 2.16 2.08 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 88 A 7.98 4.06 1.29 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 0.00 0.00 0.00 0.00 0.00 89 E 8.13 3.86 0.00 2.09 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 2.37 2.30 0.00 90 A 8.01 3.91 1.29 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 0.00 0.00 0.00 0.00 0.00 91 I 8.13 3.63 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.55 0.90 0.00 0.00 92 L 8.13 3.96 0.00 1.84 1.70 0.93 1.14 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 93 Q 8.40 3.90 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 94 A 8.17 3.96 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 95 A 8.34 3.94 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 96 R 8.24 3.84 0.00 2.00 1.98 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 97 A 7.98 4.03 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 98 E 8.23 4.25 0.00 2.00 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 2.34 2.52 0.00 99 K 7.82 3.77 0.00 1.92 1.86 0.00 1.73 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.52 7.81 100 A 8.23 4.26 1.25 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 0.00 0.00 0.00 101 D 9.17 4.95 0.00 2.75 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 0.00 102 L 7.49 4.48 0.00 0.39 0.89 0.54 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.44 4.88 1.82 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 1.07 0.80 0.88 0.00 0.00 104 V 8.83 4.91 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 1.03 0.00 0.00 0.84 0.00 0.00 105 M 8.81 4.95 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 106 G 8.50 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 0.00 107 T 8.88 4.13 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 1.19 0.00 0.00 108 R 7.38 4.64 0.00 1.40 1.70 0.00 3.14 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 109 G 7.78 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 0.00 0.00 0.00 110 L 8.21 3.97 0.00 1.60 1.73 0.90 0.78 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 0.00 111 G 7.91 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 0.00 112 A 7.62 4.15 1.26 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 0.00 0.00 113 L 8.39 4.55 0.00 1.59 1.66 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.36 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 0.00 0.00 0.00 115 S 7.86 4.53 0.00 3.87 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 0.00 116 L 7.58 4.50 0.00 1.58 1.69 0.93 0.86 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 0.00 117 F 8.83 4.41 0.00 3.15 3.16 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 0.00 118 L 6.74 3.96 0.00 0.44 0.13 0.79 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.35 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 0.00 0.00 0.00 120 S 8.45 4.06 0.00 4.04 4.10 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 0.00 121 Q 7.91 3.97 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 122 S 7.91 4.09 0.00 3.86 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 0.00 123 Q 8.27 3.94 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.19 2.48 0.00 124 R 7.95 3.93 0.00 1.98 1.97 0.00 3.10 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 125 V 7.96 3.58 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 0.97 0.00 0.00 0.94 0.00 0.00 126 V 7.89 3.59 2.15 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 0.91 0.00 0.00 0.97 0.00 0.00 127 A 8.07 4.24 1.39 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 0.00 0.00 128 E 7.47 4.57 0.00 1.86 1.91 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 2.42 2.35 0.00 129 A 7.86 4.09 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 0.00 130 P 0.00 4.65 0.00 2.19 2.15 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 131 C 7.26 4.74 0.00 3.09 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 0.00 132 P 0.00 4.54 0.00 2.15 2.10 0.00 3.89 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 2.38 2.19 0.00 133 V 8.16 4.76 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 0.75 0.00 0.00 0.92 0.00 0.00 134 L 8.97 4.50 0.00 1.70 1.47 0.93 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.46 4.95 0.00 1.56 1.57 0.90 0.87 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 0.00 136 V 8.62 4.40 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 1.04 0.00 0.00 0.93 0.00 0.00 137 R 8.51 4.54 0.00 1.99 1.91 0.00 2.73 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.