NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5550 8.3101 122.0528 56.3619 33.4953 174.7728 3 A 4.4138 9.1859 130.2593 50.3961 20.3681 170.8839 4 V 4.7183 9.3670 122.4774 61.2133 34.9721 173.1002 5 I 3.9997 8.4874 129.4299 59.8581 38.8229 175.2020 6 N 4.8565 8.6862 126.3205 51.2836 37.4910 175.7342 7 G 4.0816 9.2644 113.5986 48.6119 0.0000 173.4343 8 E 3.9704 8.2587 118.9735 58.1898 29.7662 177.0097 9 Q 4.4247 7.7737 115.5079 55.6168 29.3928 175.6752 10 I 3.9182 7.3976 121.1715 61.1711 37.3606 176.2118 11 R 4.2654 8.6364 121.8146 57.3200 30.4830 175.6012 12 S 4.5229 7.2902 111.7048 56.4364 65.5171 175.5096 13 I 3.7851 8.2154 119.1495 64.2117 37.4560 177.6569 14 S 4.1760 8.1331 115.7601 61.6557 62.6740 175.8353 15 D 4.3279 7.8159 120.4424 57.3103 40.8944 178.1303 16 L 3.8858 7.8206 120.5932 58.5065 42.0382 178.6720 17 H 4.3472 8.4354 118.5087 59.7698 28.5887 178.3902 18 Q 4.1094 8.4768 122.7152 60.6117 27.7822 180.8379 19 T 4.0508 8.0329 117.3803 66.5232 68.5535 176.8442 20 L 3.8747 8.2430 121.3539 57.5903 41.5400 179.2925 21 K 3.4674 8.2078 119.7894 59.3777 31.6270 178.5876 22 K 3.8690 7.7032 119.4609 59.7678 32.0050 178.7304 23 E 3.9223 8.1518 117.4872 58.8469 29.4560 177.9705 24 L 4.2742 8.3405 115.7733 53.5735 42.5982 175.8580 25 A 3.6652 7.3860 120.1430 53.1718 16.1087 177.4170 26 L 4.0190 7.8283 121.2254 53.1617 42.9972 176.2214 27 P 3.4868 0.0000 0.0000 62.2940 31.2048 177.0043 28 E 3.7625 8.3306 120.8960 59.4082 29.5725 177.2623 29 Y 4.3783 7.3302 113.6353 57.0596 38.4972 174.2451 30 Y 4.0634 7.6920 122.6426 57.8508 38.6638 177.1355 31 G 3.2926 8.4335 115.7225 45.8787 0.0000 172.3918 32 E 3.0217 5.9000 118.7934 56.0142 27.4588 173.2310 33 N 4.6897 6.5596 114.6439 50.8170 41.8769 174.8043 34 L 4.1668 8.4203 120.3585 58.0574 41.6525 179.5187 35 D 4.5069 8.2513 118.3237 57.1508 40.8528 178.4569 36 A 4.1032 8.6278 121.7710 54.9057 18.3542 179.4669 37 L 4.1060 8.2409 119.0490 58.0035 42.2348 178.9344 38 W 4.2088 8.3840 128.3781 60.5227 30.6465 177.2513 39 D 4.2600 8.3248 117.7159 57.4791 40.6374 178.1556 40 A 4.0744 8.0752 121.0790 55.2515 18.1128 179.6466 41 L 4.0131 7.8009 116.8247 57.3689 41.8177 178.8465 42 T 4.3411 7.4244 107.3651 61.9156 69.4435 175.9270 43 G 4.2621 8.4117 112.2487 43.7385 0.0000 173.0329 44 W 4.9995 8.1154 129.5785 58.2359 38.4480 175.0905 45 V 3.7328 7.9937 111.2080 61.1073 31.5184 175.5164 46 E 4.0542 8.1153 123.0522 55.5523 30.4594 175.2964 47 Y 4.9110 7.8402 122.2510 55.2071 40.7942 173.8081 48 P 4.9324 0.0000 0.0000 62.9608 32.6525 175.1454 49 L 4.9183 9.2491 122.5417 53.3440 45.8399 175.3597 50 V 4.7822 8.4211 124.3086 61.1845 34.8010 173.5135 51 L 4.9587 9.3039 131.2119 53.2614 44.4263 174.4798 52 E 4.9616 8.9900 128.2999 54.4556 31.6340 174.5319 53 W 4.9456 9.3011 135.0000 55.9734 31.7609 174.9882 54 R 4.3716 9.1690 127.2805 55.9365 31.5196 176.8982 55 Q 3.6556 8.7107 119.1933 56.6547 26.5637 175.6316 56 F 3.5361 8.4223 120.0756 61.7633 39.4168 175.2641 57 E 3.9570 8.5904 119.6549 60.5329 29.3329 180.2183 58 Q 4.0345 8.0251 120.4683 60.1620 28.1660 180.5636 59 S 4.4195 8.0507 118.3325 61.7021 62.8983 177.0290 60 K 3.6932 7.6092 128.9777 60.2315 31.4535 181.1902 61 Q 4.3834 7.7589 122.9982 60.7579 28.1573 180.8674 62 L 4.3709 8.2539 123.9703 57.1095 41.2684 180.7148 63 T 4.5309 8.7507 108.7431 62.6314 68.0470 176.4495 *66 G 3.8322 9.4243 109.6068 45.1117 0.0000 174.4298 67 A 4.1615 7.9010 121.6363 54.4645 18.8410 179.5745 68 E 4.1242 8.1766 117.4709 59.6172 29.5085 179.1114 69 S 4.1877 8.1255 114.8833 61.4314 62.4450 176.6026 70 V 3.8508 7.8076 121.1145 66.0097 31.5038 177.7369 71 L 4.3648 8.4746 120.1894 58.6207 41.9110 178.9262 72 Q 4.1169 8.5472 118.0901 58.9922 28.4926 179.1579 73 V 3.7818 7.8053 119.1407 66.1194 31.5876 178.1542 74 F 4.1849 8.2716 116.6530 60.6356 38.7177 177.9537 75 R 4.0582 8.2574 117.4540 59.2689 29.9999 178.9446 76 E 4.0322 8.8797 118.6500 59.4704 29.4209 179.2388 77 A 4.1512 8.7263 121.1798 54.9525 18.3208 179.6152 78 K 4.0572 8.6401 119.2005 59.2868 32.1985 178.9246 79 A 4.0572 8.4556 119.7320 54.6645 18.1942 178.3422 80 E 4.5338 7.6788 114.7705 56.4074 29.8943 176.9819 81 G 3.9717 8.2424 108.7117 45.0116 0.0000 174.7009 82 A 3.4813 8.1101 122.6856 51.8221 19.4995 177.1248 83 D 4.7227 7.3738 122.0158 53.0577 39.6679 174.1445 84 I 5.1597 7.5316 120.5285 59.3336 40.8111 175.3161 85 T 4.6852 9.0512 122.6976 61.7943 71.5213 172.9141 86 I 4.9338 8.4930 126.5786 59.5053 39.9112 174.9545 87 I 4.3976 9.0561 127.7090 59.6109 39.8628 174.7351 88 L 5.1215 8.6434 128.4566 53.1573 42.5533 176.9161 89 S 4.3777 8.4119 118.6965 58.3365 62.7433 174.0520 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 K 8.31 4.55 0.00 1.79 1.79 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.46 7.81 3 A 9.19 4.41 1.21 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 4 V 9.37 4.72 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 0.83 0.00 0.00 0.91 0.00 0.00 5 I 8.49 4.00 0.97 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.15 0.12 0.00 0.00 6 N 8.69 4.86 0.00 2.73 2.77 0.00 0.00 6.93 7.60 0.00 0.00 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 G 9.26 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 0.00 0.00 0.00 8 E 8.26 3.97 0.00 1.97 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 2.30 2.35 0.00 9 Q 7.77 4.42 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 10 I 7.40 3.92 2.03 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 0.73 0.98 0.00 0.00 11 R 8.64 4.27 0.00 1.92 2.05 0.00 3.07 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 12 S 7.29 4.52 0.00 3.99 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 13 I 8.22 3.79 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.34 0.96 0.00 0.00 14 S 8.13 4.18 0.00 3.93 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 15 D 7.82 4.33 0.00 2.77 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 16 L 7.82 3.89 0.00 1.94 1.88 0.69 1.42 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 17 H 8.44 4.35 0.00 3.45 3.55 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.48 4.11 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 19 T 8.03 4.05 4.33 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 1.09 0.00 0.00 20 L 8.24 3.87 0.00 1.81 1.67 1.04 0.71 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 21 K 8.21 3.47 0.00 1.88 2.00 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.37 1.32 7.81 22 K 7.70 3.87 0.00 1.83 1.93 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.49 7.81 23 E 8.15 3.92 0.00 2.00 1.93 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 2.35 2.33 0.00 24 L 8.34 4.27 0.00 1.57 1.66 1.09 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.39 3.67 1.37 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 0.00 0.00 0.00 26 L 7.83 4.02 0.00 1.16 0.88 0.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 3.49 0.00 0.49 0.49 0.00 2.86 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.58 0.00 28 E 8.33 3.76 0.00 1.91 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 2.31 2.38 0.00 29 Y 7.33 4.38 0.00 3.00 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 30 Y 7.69 4.06 0.00 2.81 2.82 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 31 G 8.43 3.29 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 0.00 32 E 5.90 3.02 0.00 1.74 1.82 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 2.16 2.04 0.00 33 N 6.56 4.69 0.00 2.88 2.74 0.00 0.00 6.11 6.67 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 34 L 8.42 4.17 0.00 1.76 1.84 0.98 1.16 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 35 D 8.25 4.51 0.00 2.85 2.77 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 36 A 8.63 4.10 1.23 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 0.00 0.00 37 L 8.24 4.11 0.00 2.19 2.02 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 38 W 8.38 4.21 0.00 3.52 3.27 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 39 D 8.32 4.26 0.00 2.98 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 40 A 8.08 4.07 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 41 L 7.80 4.01 0.00 1.38 1.66 0.30 0.58 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 42 T 7.42 4.34 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 -0.16 0.00 0.00 43 G 8.41 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 0.00 0.00 0.00 0.00 44 W 8.12 5.00 0.00 3.35 3.13 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 0.00 0.00 0.00 45 V 7.99 3.73 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 0.70 0.00 0.00 0.49 0.00 0.00 46 E 8.12 4.05 0.00 1.74 1.67 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 2.18 2.22 0.00 47 Y 7.84 4.91 0.00 3.05 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 48 P 0.00 4.93 0.00 2.12 2.28 0.00 3.48 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 2.02 2.12 0.00 49 L 9.25 4.92 0.00 1.90 1.89 0.98 1.37 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 50 V 8.42 4.78 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 0.94 0.00 0.00 0.96 0.00 0.00 51 L 9.30 4.96 0.00 1.61 1.36 0.66 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.99 4.96 0.00 2.09 1.79 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 2.23 2.28 0.00 53 W 9.30 4.95 0.00 3.59 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 54 R 9.17 4.37 0.00 1.88 1.90 0.00 3.33 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 55 Q 8.71 3.66 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 56 F 8.42 3.54 0.00 2.85 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 57 E 8.59 3.96 0.00 2.11 2.03 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 2.45 2.57 0.00 58 Q 8.03 4.03 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 59 S 8.05 4.42 0.00 4.17 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 0.00 60 K 7.61 3.69 0.00 1.87 1.78 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.34 7.81 61 Q 7.76 4.38 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 62 L 8.25 4.37 0.00 1.68 1.62 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.75 4.53 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 1.32 0.00 0.00 *66 G 9.42 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 0.00 0.00 0.00 67 A 7.90 4.16 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 68 E 8.18 4.12 0.00 2.21 2.03 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 2.42 2.52 0.00 69 S 8.13 4.19 0.00 4.17 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 70 V 7.81 3.85 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 1.48 0.00 0.00 1.11 0.00 0.00 71 L 8.47 4.36 0.00 1.74 1.88 0.86 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.55 4.12 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 73 V 7.81 3.78 2.33 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 1.37 0.00 0.00 1.07 0.00 0.00 74 F 8.27 4.18 0.00 3.49 3.19 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 75 R 8.26 4.06 0.00 2.08 2.03 0.00 3.33 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.95 0.00 76 E 8.88 4.03 0.00 2.21 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 2.33 2.73 0.00 77 A 8.73 4.15 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 78 K 8.64 4.06 0.00 2.02 2.10 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.32 7.81 79 A 8.46 4.06 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 80 E 7.68 4.53 0.00 2.40 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 0.00 2.41 2.52 0.00 81 G 8.24 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 0.00 0.00 0.00 82 A 8.11 3.48 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 83 D 7.37 4.72 0.00 2.63 2.50 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 0.00 84 I 7.53 5.16 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.69 1.11 0.00 0.00 85 T 9.05 4.69 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 1.23 0.00 0.00 86 I 8.49 4.93 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.64 0.91 0.00 0.00 87 I 9.06 4.40 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 1.24 0.80 0.93 0.00 0.00 88 L 8.64 5.12 0.00 1.45 1.53 0.67 0.58 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 89 S 8.41 4.38 0.00 3.81 3.80 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 * Residues marked with a * may have inaccurate shift predictions.