NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3631 8.3193 115.2904 58.5329 64.3401 174.8168 1 T 4.1598 8.0113 110.6455 60.1770 71.2047 174.0353 2 K 3.8757 8.6236 120.5852 59.5284 32.4431 180.5959 3 L 4.0633 7.8381 120.0853 58.2671 42.1407 178.7281 4 E 4.1202 8.1158 120.5415 59.8949 29.3425 179.8454 5 E 4.0207 8.3963 118.7185 61.3957 29.7754 182.0091 6 H 4.5559 8.0640 116.7669 58.6906 28.7256 177.9994 7 L 4.0718 8.1000 120.9054 57.8424 41.4123 179.1425 8 E 4.1035 8.5211 119.4886 59.2314 29.5056 179.1515 9 G 3.6527 8.2545 105.9269 47.6790 0.0000 175.8769 10 I 3.9206 8.0026 122.2140 64.2500 37.1420 178.6250 11 V 3.7617 7.9971 119.1438 66.0832 31.4039 177.7245 12 N 4.4047 8.5368 116.4374 56.6476 38.3502 177.5128 13 I 3.8924 8.1430 121.1551 64.1254 37.0854 178.0673 14 F 3.9402 8.5443 121.7252 61.9300 39.2957 177.1012 15 H 4.6049 8.6784 116.9880 58.0350 28.2542 177.6387 16 Q 3.9655 7.9760 118.4927 58.5159 28.5594 177.1481 17 Y 4.2028 7.3034 118.1267 59.3617 38.9099 177.9811 18 S 4.0331 7.9494 114.9650 61.1433 63.2049 176.5238 19 V 4.0032 7.4333 112.2868 63.0683 31.6458 177.7626 20 R 4.0505 7.7542 119.4497 58.5612 29.9986 176.8992 21 K 4.6922 8.5469 114.7620 54.9602 36.7930 178.4990 22 G 3.6356 8.6236 108.5898 46.5070 0.0000 173.8244 23 H 4.2153 8.7308 122.5582 56.0528 30.2547 176.4589 24 F 4.4305 8.9227 121.6186 58.9887 37.9975 175.3161 25 D 4.7647 7.4746 118.8366 53.6472 41.3163 174.5329 26 T 4.9621 7.4824 105.6442 59.9901 72.5763 172.9652 27 L 4.9516 8.7029 122.5416 52.9035 43.6211 177.0424 28 S 4.6474 9.2435 119.7491 57.8894 64.3212 175.5399 29 K 3.5858 8.4708 120.1540 59.2954 31.6858 178.6817 30 G 3.5886 7.8709 105.4911 47.8495 0.0000 175.3152 31 E 4.0179 8.0566 120.9492 59.0553 29.4814 179.1530 32 L 3.9693 8.1463 120.4851 58.0679 42.1366 178.9381 33 K 3.9098 8.4935 119.9689 59.5429 32.1131 178.8023 34 Q 3.9724 8.0445 118.3709 58.7767 28.6165 178.5541 35 L 2.5516 7.5520 121.1663 57.6051 42.0954 178.9639 36 L 3.9428 7.8860 119.1638 58.1496 41.3974 179.7626 37 T 3.9153 7.6599 108.2547 64.1776 68.8052 176.2982 38 K 4.1252 7.7512 121.5244 59.1156 32.6619 178.1850 39 E 4.3847 8.3397 116.9751 57.1750 30.0815 177.0864 40 L 4.7462 7.6665 119.0033 54.1407 42.5906 178.6780 41 A 3.9983 8.2625 124.1405 55.1227 18.4158 179.1744 42 N 4.7181 8.0606 109.9018 53.9529 39.2712 175.6325 43 T 4.2668 7.7146 114.4215 63.9347 69.9716 174.6999 44 I 4.2868 7.5442 124.2621 59.4166 38.3926 176.1700 *45 K 3.8876 8.8106 129.9364 56.8262 32.3678 173.6335 *46 N 4.2932 8.8413 119.5314 52.5560 34.8091 174.1677 47 I 3.8424 7.7519 115.0403 64.2775 38.3172 177.7515 *48 K 4.3182 7.9703 120.7137 54.9652 31.5606 181.2920 49 D 4.9077 7.6404 119.8708 53.7146 42.6217 177.3506 50 K 3.7912 9.0061 123.8418 60.4958 32.2282 179.4290 51 A 3.8296 7.5656 119.9818 54.9433 18.8309 179.4140 52 V 3.5078 7.4805 116.0720 66.2143 31.6828 178.2828 53 I 3.8039 7.6966 117.8146 63.9890 37.7754 177.3618 54 D 4.4175 8.2194 119.9760 57.3117 40.6535 178.6604 55 E 4.0117 8.4118 119.0832 59.4774 29.5466 179.4950 56 I 3.6753 7.7911 119.7750 64.2466 37.1880 178.0285 57 F 4.0924 8.3625 121.5142 61.5985 38.9714 176.9340 58 Q 4.0103 7.7868 116.2012 59.2332 28.6626 179.3065 59 G 3.6772 7.7934 104.9870 47.6254 0.0000 175.4048 60 L 4.1730 7.7472 120.4547 56.3100 43.2827 177.9946 61 D 4.5433 7.5156 119.9278 52.8410 38.0306 176.4432 62 A 4.0744 8.2801 125.0551 53.5550 19.0685 178.4926 63 N 4.7685 8.2459 112.1124 51.7790 37.7218 174.8740 64 Q 3.7135 7.6516 116.1657 57.5755 26.8084 173.8248 65 D 4.6787 7.9023 114.4018 52.7695 39.7857 176.2191 66 E 4.2434 8.8873 117.5244 57.5623 27.4705 174.0306 67 Q 4.8026 8.1089 115.8015 54.2051 32.7128 175.1157 68 V 4.3053 8.8335 122.0458 61.4005 32.0700 175.4504 69 D 5.2572 8.9255 129.1559 52.1524 42.5719 176.6554 70 F 3.3551 8.6372 119.8797 61.4649 38.9643 176.8458 71 Q 3.9580 8.1112 116.0687 59.0717 28.8678 178.2597 72 E 4.0412 8.5591 119.5916 59.2837 29.5651 179.1597 73 F 4.1891 8.2296 120.6961 61.1468 39.3234 177.2083 74 I 3.3051 7.2414 119.0623 64.0948 36.7284 178.4369 75 S 4.0116 7.7337 116.1909 61.2678 62.5489 176.4152 76 L 3.8050 7.3992 122.7406 57.9638 41.8198 178.9615 77 V 3.3218 7.0274 117.8347 65.6576 31.3531 177.9416 78 A 3.8899 7.8304 120.5710 55.1299 18.3143 179.5219 79 I 3.5757 7.5825 118.1263 64.6674 37.1761 178.5900 80 A 4.0453 8.0583 121.3795 54.7656 18.1823 179.7755 81 L 3.9223 8.2596 118.1438 57.9302 41.7406 179.7106 82 K 3.9927 8.1008 118.1811 59.5642 32.0182 179.2570 83 A 4.0447 7.9592 120.2387 55.0091 18.2579 179.6241 84 A 4.0165 8.1935 119.4976 55.5524 18.3350 179.2720 85 H 4.1612 8.8225 117.2487 59.5887 29.7781 176.8733 86 Y 3.9461 8.2892 121.3500 60.9888 38.4474 177.4551 87 H 4.3077 8.3664 118.3387 59.4537 30.0085 177.0566 88 T 3.8770 7.6994 110.9361 64.7411 68.7338 175.7280 89 H 4.3614 7.7246 119.2795 57.2817 28.9834 176.6546 *90 K 4.3228 7.3015 130.5219 56.9349 31.7059 181.9553 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 0 S 8.32 4.36 0.00 3.85 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 1 T 8.01 4.16 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 1.27 0.00 0.00 2 K 8.62 3.88 0.00 1.92 1.89 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.07 7.81 3 L 7.84 4.06 0.00 1.74 1.68 0.94 1.04 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 4 E 8.12 4.12 0.00 2.20 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 2.33 0.00 5 E 8.40 4.02 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 2.24 2.22 0.00 6 H 8.06 4.56 0.00 3.43 3.38 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.10 4.07 0.00 1.89 1.78 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.52 4.10 0.00 2.14 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 0.00 2.34 2.36 0.00 9 G 8.25 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 10 I 8.00 3.92 2.18 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.80 1.20 0.00 0.00 11 V 8.00 3.76 2.25 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 0.85 0.00 0.00 0.85 0.00 0.00 12 N 8.54 4.40 0.00 3.03 2.92 0.00 0.00 7.07 8.09 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 13 I 8.14 3.89 2.15 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 1.56 0.97 1.15 0.00 0.00 14 F 8.54 3.94 0.00 2.72 3.24 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 15 H 8.68 4.60 0.00 3.47 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.98 3.97 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.59 2.28 0.00 17 Y 7.30 4.20 0.00 3.04 2.98 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 0.00 0.00 0.00 18 S 7.95 4.03 0.00 3.80 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 19 V 7.43 4.00 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 0.81 0.00 0.00 0.94 0.00 0.00 20 R 7.75 4.05 0.00 2.00 1.98 0.00 3.22 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 21 K 8.55 4.69 0.00 1.65 1.66 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.50 7.81 22 G 8.62 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 23 H 8.73 4.22 0.00 3.25 3.17 0.00 5.87 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.92 4.43 0.00 3.15 3.12 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 0.00 0.00 0.00 0.00 25 D 7.47 4.76 0.00 1.58 2.36 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 26 T 7.48 4.96 4.40 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 1.12 0.00 0.00 27 L 8.70 4.95 0.00 1.72 1.69 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 28 S 9.24 4.65 0.00 3.86 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 29 K 8.47 3.59 0.00 0.79 1.39 0.00 1.35 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.18 0.67 7.81 30 G 7.87 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 31 E 8.06 4.02 0.00 2.23 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 2.40 2.33 0.00 32 L 8.15 3.97 0.00 1.91 1.96 1.06 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 33 K 8.49 3.91 0.00 1.90 1.92 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.46 7.81 34 Q 8.04 3.97 0.00 2.43 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 35 L 7.55 2.55 0.00 1.18 1.60 0.98 0.66 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 36 L 7.89 3.94 0.00 1.84 1.68 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.66 3.92 4.23 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 1.22 0.00 0.00 38 K 7.75 4.13 0.00 2.01 1.93 0.00 1.94 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.72 7.81 39 E 8.34 4.38 0.00 2.04 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 2.34 2.61 0.00 40 L 7.67 4.75 0.00 1.87 1.60 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.26 4.00 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 42 N 8.06 4.72 0.00 2.71 2.85 0.00 0.00 6.80 7.54 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 43 T 7.71 4.27 4.37 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 1.20 0.00 0.00 44 I 7.54 4.29 1.86 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 1.25 0.56 0.90 0.00 0.00 *45 K 8.81 3.89 0.00 1.77 1.61 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.02 7.81 *46 N 8.84 4.29 0.00 2.74 2.81 0.00 0.00 6.65 7.59 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 47 I 7.75 3.84 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 1.43 0.99 0.90 0.00 0.00 *48 K 7.97 4.32 0.00 1.80 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.03 7.81 49 D 7.64 4.91 0.00 2.63 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 50 K 9.01 3.79 0.00 1.81 1.80 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.63 1.50 7.81 51 A 7.57 3.83 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 52 V 7.48 3.51 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 0.98 0.00 0.00 0.99 0.00 0.00 53 I 7.70 3.80 1.87 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 1.67 1.46 0.95 0.00 0.00 54 D 8.22 4.42 0.00 2.94 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 55 E 8.41 4.01 0.00 1.99 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 2.56 2.50 0.00 56 I 7.79 3.68 1.92 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 1.41 1.02 0.94 0.00 0.00 57 F 8.36 4.09 0.00 3.12 3.15 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 58 Q 7.79 4.01 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 59 G 7.79 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 60 L 7.75 4.17 0.00 1.63 1.66 0.95 0.81 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 61 D 7.52 4.54 0.00 2.08 2.16 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 62 A 8.28 4.07 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 63 N 8.25 4.77 0.00 2.84 3.00 0.00 0.00 6.34 7.44 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 64 Q 7.65 3.71 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 65 D 7.90 4.68 0.00 2.86 2.76 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 0.00 0.00 0.00 66 E 8.89 4.24 0.00 2.24 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 0.00 2.38 2.35 0.00 67 Q 8.11 4.80 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 68 V 8.83 4.31 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 1.23 0.00 0.00 0.78 0.00 0.00 69 D 8.93 5.26 0.00 3.04 2.84 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 70 F 8.64 3.36 0.00 2.79 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 71 Q 8.11 3.96 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 72 E 8.56 4.04 0.00 2.26 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 0.00 2.31 2.41 0.00 73 F 8.23 4.19 0.00 3.15 2.68 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 74 I 7.24 3.31 1.84 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 1.21 0.01 0.77 0.00 0.00 75 S 7.73 4.01 0.00 3.93 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 76 L 7.40 3.81 0.00 1.61 1.40 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.03 3.32 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 0.90 0.00 0.00 0.31 0.00 0.00 78 A 7.83 3.89 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 79 I 7.58 3.58 1.95 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 1.40 0.93 0.86 0.00 0.00 80 A 8.06 4.05 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 81 L 8.26 3.92 0.00 1.83 1.71 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.10 3.99 0.00 1.94 1.88 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.61 7.81 83 A 7.96 4.04 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 84 A 8.19 4.02 1.44 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 0.00 0.00 85 H 8.82 4.16 0.00 3.27 3.56 0.00 5.61 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 86 Y 8.29 3.95 0.00 3.26 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 87 H 8.37 4.31 0.00 3.26 3.52 0.00 5.83 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.70 3.88 4.13 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 1.20 0.00 0.00 89 H 7.72 4.36 0.00 2.99 3.17 0.00 5.66 0.00 0.00 0.00 0.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *90 K 7.30 4.32 0.00 1.81 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.