NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 S 4.4615 8.3349 117.0961 56.9839 63.9680 173.6468 17 P 4.8950 0.0000 0.0000 59.0391 31.8877 175.0199 18 N 4.6739 8.7512 120.8503 52.1659 40.7224 175.5506 19 A 3.9247 8.4474 120.9205 55.3556 18.3827 179.5434 20 A 3.9329 7.9848 118.7829 55.1765 18.4217 179.9333 21 V 3.1888 8.4660 117.1647 66.1118 31.6260 178.1511 22 Q 3.9460 8.1903 117.9839 59.3003 28.5454 179.3115 23 S 4.2324 8.2353 116.1319 61.3928 62.7231 177.0023 24 G 3.5902 7.9336 108.5745 47.6344 0.0000 175.5297 25 L 4.0443 7.7711 123.1001 57.8485 42.0366 178.8070 26 Q 3.9591 8.0523 119.5870 59.2567 28.9102 178.0092 27 E 3.9611 8.2989 120.3865 58.7336 29.5827 178.3333 28 W 4.1957 8.6791 128.9006 61.0527 30.7676 177.4662 29 H 4.1356 8.6187 116.1567 58.9763 28.0722 177.7912 30 R 3.7633 7.9412 120.2208 59.4124 29.9402 178.5757 31 I 3.2673 7.6754 119.7975 64.2874 36.9931 178.5553 32 I 2.6260 7.1706 120.4151 63.8924 36.5875 178.3921 33 A 3.8729 7.6035 120.4786 54.7523 18.3242 178.7337 34 E 3.9739 7.9685 114.0872 55.3681 30.5350 175.9818 35 A 2.5800 6.5697 120.8938 52.5274 17.3322 178.5460 36 D 4.3192 6.7491 119.8785 53.5916 38.0805 175.7106 37 W 4.4322 7.0550 122.7962 59.7156 29.4803 177.9549 38 E 4.0933 8.2403 117.3096 58.7873 28.7132 178.3574 39 R 4.3234 7.9014 116.7656 56.6085 30.4259 178.1734 40 L 3.8764 7.8774 121.4712 57.7046 42.1967 176.7002 41 P 4.2528 0.0000 0.0000 66.0092 31.0336 178.1354 42 D 4.4488 7.5485 116.0708 56.8582 40.9210 177.8869 43 L 4.3460 8.2597 120.1769 55.1653 42.4553 175.9819 44 L 4.6124 7.1972 118.4567 53.5146 43.0459 176.5897 45 A 4.2245 8.6422 126.0130 51.7520 19.2847 178.3441 46 E 4.0007 8.9291 121.5201 58.7217 29.8349 177.8809 47 D 5.2132 7.8117 116.7089 52.4851 40.2232 176.4396 48 V 3.8672 7.4577 119.1992 63.6052 32.3802 174.7249 49 V 4.7000 8.7067 123.5796 61.3038 33.7715 174.0986 50 F 5.5752 9.3457 129.7952 56.6429 42.5439 173.4279 51 S 4.7973 9.0779 122.7314 56.7155 65.2125 173.4679 52 N 4.9058 8.1183 122.0941 50.3636 39.3666 173.4603 53 P 4.4751 0.0000 0.0000 63.9536 31.5981 177.3325 54 S 4.7102 8.5032 111.3898 57.9101 64.6536 174.0020 55 T 4.6951 7.7940 114.1129 59.9356 70.4250 173.2054 56 F 4.0841 8.9753 129.4635 61.2449 39.7225 175.7361 57 D 4.3269 7.9260 119.5232 53.5702 41.0368 174.5362 58 P 4.4359 0.0000 0.0000 62.7460 32.3076 175.4864 59 Y 4.6252 8.9180 120.1025 57.4889 40.0504 174.3824 60 H 5.2307 9.0299 118.3522 55.3650 32.0744 174.5958 61 G 4.3377 9.2590 108.2813 45.0450 0.0000 173.7766 62 K 4.0717 8.6063 118.0555 59.2515 32.3267 179.7425 63 G 3.8907 8.2765 106.7079 48.4338 0.0000 172.7508 64 P 4.2319 0.0000 0.0000 64.7987 31.6624 179.2778 65 L 3.6591 7.3824 116.7604 55.3277 40.1346 178.7402 *67 V 3.8587 7.9780 117.7521 62.5127 33.3668 177.5389 68 I 3.6974 7.7106 120.2665 64.1407 37.0566 178.0391 69 L 3.8349 7.6172 121.2080 57.7891 41.8593 177.2945 70 P 3.0523 0.0000 0.0000 64.8586 30.8338 178.4737 71 A 3.8863 6.9528 118.8988 54.9244 18.5654 179.5004 72 V 3.6066 7.6866 116.6851 66.3617 31.3010 178.4334 73 F 4.1073 8.1941 117.3479 60.1339 38.4395 177.7905 74 S 4.0932 7.9139 113.5291 60.8877 62.8323 175.9365 75 V 3.9492 7.4414 120.5658 63.3166 32.0229 176.2462 76 L 4.2778 6.9471 118.4104 54.3537 42.3943 176.0392 77 E 4.7749 9.1753 122.2452 55.5641 32.2203 175.5527 78 N 4.4281 8.8874 115.9801 53.9910 36.3807 174.5404 79 F 4.3863 8.3976 119.5343 58.7672 40.2474 174.3033 80 Q 4.5076 8.3141 124.4777 54.3960 33.0258 174.1018 81 Y 5.0372 8.7501 121.5416 57.1759 39.0345 174.7382 82 A 4.8652 9.2023 123.6081 52.1678 21.1355 180.1589 83 R 4.2173 9.0185 119.3496 58.9233 31.0000 174.0739 84 H 5.6423 7.8945 116.1841 54.3168 32.0205 172.3462 85 F 5.1318 9.3782 117.2933 56.2753 43.6658 173.6183 86 S 5.2666 8.8207 114.8822 57.0196 66.2417 172.8135 87 S 4.7539 8.7406 117.2778 56.9682 65.9861 175.3301 88 K 3.7551 8.5719 120.1212 57.1338 31.6011 173.9122 89 S 4.7158 7.5539 108.8624 57.8355 64.3997 173.1514 90 G 4.1780 7.3958 107.2950 46.4141 0.0000 171.6036 91 Y 5.5068 9.0367 116.1086 56.4447 43.1497 174.7282 92 V 4.9488 9.1447 121.4073 61.2542 34.6312 174.2251 93 L 5.1327 9.2170 128.5480 52.8887 43.8358 175.6850 94 E 4.8884 9.5452 126.7070 56.2518 31.1215 175.4500 95 F 5.4138 8.8765 119.2630 55.6085 42.0906 172.7549 96 N 5.5252 8.7354 116.4576 51.9526 42.2745 173.4216 97 A 4.8802 8.4853 121.8348 51.8524 23.5782 174.0838 98 N 5.1464 8.1950 117.5423 50.4274 40.8954 172.7050 *100 G 4.1695 8.7599 106.7383 46.0134 0.0000 172.7077 101 D 4.6389 8.8642 125.2454 52.9191 39.5171 175.7307 102 E 4.4348 7.9103 120.6751 55.3381 29.9161 175.0508 103 L 4.8346 8.2611 124.3008 53.9852 43.3836 176.0125 104 L 5.0687 8.9715 121.3435 54.7581 44.4577 174.5952 105 T 4.9173 8.3963 109.2317 60.4234 72.2792 172.7043 106 G 3.4832 7.6103 107.9926 45.7026 0.0000 172.2859 107 V 5.2188 7.9034 111.1874 59.6598 36.4544 174.6638 108 D 5.4096 9.7300 123.8726 52.7879 43.2746 174.9267 109 L 5.0643 9.1142 126.9930 53.6588 44.0503 175.1135 110 I 4.7868 9.0473 127.0433 59.5423 40.6578 174.1451 111 E 5.1040 8.8789 126.5937 54.5782 32.1065 175.1225 112 F 5.3690 9.1502 122.2983 55.7211 42.4016 175.2054 113 N 4.8289 9.0977 120.1242 51.5648 39.0200 175.7562 114 D 4.2883 8.5642 116.8932 57.1930 40.8432 177.6208 115 A 4.1414 8.1289 119.7338 52.5403 18.5599 177.6246 116 G 3.9685 8.4564 104.1929 46.0402 0.0000 173.7256 117 K 4.9012 8.3625 118.3518 54.1626 34.4111 175.6420 118 I 4.0160 8.6225 124.1474 61.4617 37.4971 176.6863 119 T 4.2759 8.8510 117.6627 62.6942 71.0257 174.4719 120 D 5.1757 7.6052 121.0638 52.6223 45.7657 174.0695 121 L 5.0537 9.2399 124.7071 53.2862 45.4953 175.0031 122 V 4.8615 8.9562 126.3251 61.1490 34.1969 174.5027 123 V 5.5058 8.9224 127.0890 60.0457 34.9560 174.6404 *126 R 4.1265 8.2664 118.6474 55.0542 30.6715 173.4096 127 P 4.7126 0.0000 0.0000 62.0408 32.7150 176.8666 128 A 4.0277 8.7452 121.7749 55.6906 17.9425 180.2820 129 S 4.0981 8.0418 112.0674 61.6949 62.9732 176.8504 130 V 3.6317 7.7869 121.4891 65.5561 31.1938 178.2088 131 V 3.6498 7.6868 117.7210 65.8628 31.2715 177.8538 132 I 3.6967 7.8818 119.5708 64.4608 37.0893 178.0384 133 D 4.3327 7.8413 119.5047 57.3643 40.6434 178.4294 134 L 3.9635 8.2637 121.1205 58.6250 41.9445 179.3327 135 S 4.1563 8.3456 114.9577 61.3879 62.7058 176.8675 136 V 3.5629 7.6261 121.0173 66.0065 31.2983 177.7860 137 E 3.9353 8.0724 118.6456 59.1552 29.4435 178.8651 138 V 3.6603 8.2808 118.9641 65.8413 31.5343 178.0891 139 G 3.6830 8.2866 105.6040 47.8282 0.0000 175.5688 140 K 3.9319 7.9588 120.9959 59.4818 32.1455 179.7289 141 R 4.1233 8.0254 118.0603 58.9965 29.6790 179.2979 142 I 3.6609 7.7571 119.0125 64.1436 37.4095 177.8895 143 A 4.1106 8.1593 121.4548 55.2385 18.0354 179.4248 144 A 3.9264 8.2319 117.9879 55.3596 18.5390 179.3519 145 A 4.1756 8.0368 119.7821 54.7362 18.6443 178.7392 146 Q 4.2674 7.7549 123.7411 57.4104 28.4698 180.9311 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 16 S 8.33 4.46 0.00 3.65 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 17 P 0.00 4.90 0.00 2.11 1.89 0.00 3.71 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 18 N 8.75 4.67 0.00 2.98 2.97 0.00 0.00 5.90 7.23 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 19 A 8.45 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 20 A 7.98 3.93 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 21 V 8.47 3.19 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 0.89 0.00 0.00 1.02 0.00 0.00 22 Q 8.19 3.95 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 23 S 8.24 4.23 0.00 4.01 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 24 G 7.93 3.59 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 0.00 25 L 7.77 4.04 0.00 1.32 1.60 0.56 -0.08 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 26 Q 8.05 3.96 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 27 E 8.30 3.96 0.00 2.18 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 2.41 0.00 28 W 8.68 4.20 0.00 3.63 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 29 H 8.62 4.14 0.00 3.41 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.94 3.76 0.00 1.94 1.98 0.00 3.03 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 31 I 7.68 3.27 1.61 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 1.31 0.42 0.39 0.00 0.00 32 I 7.17 2.63 1.46 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.58 0.19 0.00 0.00 33 A 7.60 3.87 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 34 E 7.97 3.97 0.00 1.75 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 0.00 2.16 2.15 0.00 35 A 6.57 2.58 1.01 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 0.00 0.00 36 D 6.75 4.32 0.00 2.49 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 37 W 7.05 4.43 0.00 3.40 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 38 E 8.24 4.09 0.00 2.18 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 2.31 1.97 0.00 39 R 7.90 4.32 0.00 1.89 1.92 0.00 3.27 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.87 0.00 40 L 7.88 3.88 0.00 1.92 1.89 1.13 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.25 0.00 2.21 2.12 0.00 3.85 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 42 D 7.55 4.45 0.00 2.71 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 43 L 8.26 4.35 0.00 1.84 1.95 1.19 1.07 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 44 L 7.20 4.61 0.00 1.84 1.58 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.64 4.22 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 46 E 8.93 4.00 0.00 2.07 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 2.39 2.39 0.00 47 D 7.81 5.21 0.00 2.85 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 48 V 7.46 3.87 2.30 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 0.84 0.00 0.00 0.96 0.00 0.00 49 V 8.71 4.70 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 0.88 0.00 0.00 0.96 0.00 0.00 50 F 9.35 5.58 0.00 3.02 2.95 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 51 S 9.08 4.80 0.00 3.64 3.51 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 0.00 0.00 0.00 52 N 8.12 4.91 0.00 2.53 1.97 0.00 0.00 6.33 7.75 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 53 P 0.00 4.48 0.00 2.10 2.19 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 54 S 8.50 4.71 0.00 3.94 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 55 T 7.79 4.70 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 1.19 0.00 0.00 56 F 8.98 4.08 0.00 3.02 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 57 D 7.93 4.33 0.00 2.54 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 58 P 0.00 4.44 0.00 1.74 1.81 0.00 3.53 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.84 0.00 59 Y 8.92 4.63 0.00 3.02 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 60 H 9.03 5.23 0.00 3.02 3.21 0.00 5.69 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 9.26 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 0.00 0.00 0.00 0.00 62 K 8.61 4.07 0.00 1.84 1.87 0.00 1.71 0.00 0.00 1.84 0.00 0.00 3.25 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.45 7.81 63 G 8.28 3.89 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 0.00 0.00 0.00 64 P 0.00 4.23 0.00 2.17 1.97 0.00 3.89 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 2.29 2.18 0.00 65 L 7.38 3.66 0.00 1.61 1.62 0.78 0.60 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 *67 V 7.98 3.86 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 0.86 0.00 0.00 0.89 0.00 0.00 68 I 7.71 3.70 1.93 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.68 1.00 0.00 0.00 69 L 7.62 3.83 0.00 1.43 1.25 1.05 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 3.05 0.00 1.66 0.71 0.00 3.23 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.65 0.00 71 A 6.95 3.89 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 72 V 7.69 3.61 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 0.78 0.00 0.00 0.99 0.00 0.00 73 F 8.19 4.11 0.00 3.15 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 74 S 7.91 4.09 0.00 4.08 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 75 V 7.44 3.95 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 0.88 0.00 0.00 0.97 0.00 0.00 76 L 6.95 4.28 0.00 1.50 1.67 0.60 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 77 E 9.18 4.77 0.00 2.07 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 2.25 2.27 0.00 78 N 8.89 4.43 0.00 3.03 2.90 0.00 0.00 6.90 7.45 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 79 F 8.40 4.39 0.00 3.07 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 80 Q 8.31 4.51 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 81 Y 8.75 5.04 0.00 3.03 2.95 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 82 A 9.20 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 9.02 4.22 0.00 2.14 1.70 0.00 3.19 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 84 H 7.89 5.64 0.00 3.09 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 9.38 5.13 0.00 3.04 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 86 S 8.82 5.27 0.00 3.63 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 87 S 8.74 4.75 0.00 3.89 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 88 K 8.57 3.76 0.00 1.70 1.87 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.00 7.81 89 S 7.55 4.72 0.00 3.78 4.04 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 90 G 7.40 4.18 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 0.00 91 Y 9.04 5.51 0.00 2.87 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 92 V 9.14 4.95 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 0.96 0.00 0.00 93 L 9.22 5.13 0.00 1.81 1.43 0.54 0.48 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 94 E 9.55 4.89 0.00 2.25 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 2.31 2.32 0.00 95 F 8.88 5.41 0.00 2.31 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 96 N 8.74 5.53 0.00 2.58 2.71 0.00 0.00 7.07 6.79 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 97 A 8.49 4.88 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 98 N 8.20 5.15 0.00 2.86 2.82 0.00 0.00 6.76 6.50 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 *100 G 8.76 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 0.00 0.00 0.00 0.00 101 D 8.86 4.64 0.00 2.80 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 0.00 102 E 7.91 4.43 0.00 2.06 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 2.32 0.00 103 L 8.26 4.83 0.00 1.54 1.60 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.97 5.07 0.00 1.91 1.74 1.12 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.40 4.92 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 1.26 0.00 0.00 106 G 7.61 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 5.22 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 0.86 0.00 0.00 0.96 0.00 0.00 108 D 9.73 5.41 0.00 2.94 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 0.00 109 L 9.11 5.06 0.00 1.73 1.56 0.92 0.65 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 0.00 110 I 9.05 4.79 1.81 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.48 0.12 0.00 0.00 111 E 8.88 5.10 0.00 1.90 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 2.19 2.37 0.00 112 F 9.15 5.37 0.00 2.96 2.95 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 0.00 113 N 9.10 4.83 0.00 2.95 3.01 0.00 0.00 7.08 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 0.00 114 D 8.56 4.29 0.00 2.71 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 0.00 115 A 8.13 4.14 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 0.00 116 G 8.46 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 0.00 117 K 8.36 4.90 0.00 1.96 1.91 0.00 1.95 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.57 7.81 118 I 8.62 4.02 1.74 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 0.19 0.43 0.65 0.00 0.00 119 T 8.85 4.28 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 1.21 0.00 0.00 120 D 7.61 5.18 0.00 2.57 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 0.00 121 L 9.24 5.05 0.00 1.60 1.58 0.83 1.03 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 0.00 122 V 8.96 4.86 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 0.90 0.00 0.00 0.90 0.00 0.00 123 V 8.92 5.51 2.27 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 1.32 0.00 0.00 1.34 0.00 0.00 *126 R 8.27 4.13 0.00 2.04 2.06 0.00 2.98 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 127 P 0.00 4.71 0.00 2.24 2.21 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 128 A 8.75 4.03 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 0.00 129 S 8.04 4.10 0.00 4.06 4.14 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 0.00 0.00 0.00 0.00 130 V 7.79 3.63 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 1.10 0.00 0.00 0.94 0.00 0.00 131 V 7.69 3.65 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 1.12 0.00 0.00 1.01 0.00 0.00 132 I 7.88 3.70 2.04 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 1.80 1.49 0.92 0.00 0.00 133 D 7.84 4.33 0.00 2.84 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 0.00 134 L 8.26 3.96 0.00 1.79 1.88 0.92 0.90 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 0.00 135 S 8.35 4.16 0.00 4.05 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 0.00 136 V 7.63 3.56 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 1.00 0.00 0.00 1.01 0.00 0.00 137 E 8.07 3.94 0.00 2.15 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 0.00 2.31 2.36 0.00 138 V 8.28 3.66 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 0.93 0.00 0.00 0.98 0.00 0.00 139 G 8.29 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.96 3.93 0.00 2.04 1.88 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.67 7.81 141 R 8.03 4.12 0.00 1.85 1.95 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 142 I 7.76 3.66 1.99 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 1.39 0.55 0.88 0.00 0.00 143 A 8.16 4.11 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 0.00 144 A 8.23 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 0.00 145 A 8.04 4.18 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 0.00 146 Q 7.75 4.27 0.00 2.19 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.49 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.