NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2889 8.2644 123.5861 51.9386 20.0080 175.6607 2 E 4.2501 8.5530 124.4088 54.6932 30.8497 173.4601 3 L 5.4839 9.2398 128.4856 53.9859 43.3677 176.0760 4 R 4.8774 8.4782 120.0576 54.4946 35.3067 173.8866 5 L 5.0502 8.8256 124.4670 53.4129 44.0108 175.2857 6 L 4.5380 8.8267 128.1455 54.5761 43.1243 175.8242 7 M 4.4997 8.8317 124.6625 53.6922 34.2030 174.4291 8 F 4.8447 8.9663 126.4601 56.7578 40.7887 175.1319 9 E 5.2091 9.1905 122.4663 54.9168 34.3024 174.1157 10 Q 5.4187 8.0917 116.3146 54.7976 32.0332 172.2711 11 P 4.1209 0.0000 0.0000 64.3755 31.7411 176.9289 12 G 3.7858 8.7825 109.2059 46.6520 0.0000 175.3171 13 C 4.4795 7.6456 121.1534 54.8393 43.8087 173.3293 14 L 3.8463 8.3026 129.1379 58.3684 41.8279 178.0616 15 Y 4.0596 8.0840 115.8819 60.9145 37.7893 178.8092 16 C 4.3187 8.3455 117.0844 60.0955 40.9656 175.8085 17 A 3.9192 8.0652 122.2768 55.1072 17.9169 179.8401 18 R 3.9222 8.2764 116.7628 59.1705 30.1479 178.9470 19 W 3.4181 8.2500 128.0270 60.5307 30.3799 177.7036 20 D 4.3235 8.3214 117.4178 57.2600 40.2837 178.2820 21 A 4.1407 7.9240 120.3850 54.1574 18.6765 178.7415 22 E 4.2419 7.6297 115.5499 58.3667 30.7263 177.9351 23 I 3.7938 6.7946 118.5796 62.7071 37.5240 177.7147 24 A 3.4314 6.5108 120.8156 54.6716 18.2171 176.8734 25 P 4.4040 0.0000 0.0000 65.8056 31.7514 178.6185 26 Q 4.1647 8.0944 116.9569 58.7379 28.5799 177.4538 27 Y 4.4592 8.0153 121.1026 60.5241 38.6478 176.2972 28 P 4.5287 0.0000 0.0000 63.8256 31.8180 176.2043 29 L 4.4776 7.9913 118.2954 55.0486 42.5356 176.6503 30 T 4.5348 7.1699 109.8036 59.5561 72.4659 174.7495 31 D 4.3116 8.3236 121.6382 57.6590 40.8779 179.0029 32 E 4.0715 8.1247 118.4795 59.4757 29.6863 179.3609 33 G 3.0098 7.6756 106.9130 47.0859 0.0000 175.8369 34 R 4.1014 7.7038 118.9586 58.6015 30.1834 178.6344 35 A 4.3192 8.0594 120.0222 53.7436 19.5129 177.4359 36 A 4.9018 7.7608 118.1702 49.3102 19.2763 173.7231 37 P 4.9033 0.0000 0.0000 61.8024 32.9896 176.0192 38 V 4.5763 8.7850 123.3440 61.7461 33.0296 175.5235 39 Q 4.5039 9.1186 121.7111 54.4339 32.5556 174.3554 40 R 4.6864 8.5958 123.2394 55.3728 31.5249 175.8065 41 L 4.7496 8.4995 121.9454 53.0334 46.7626 175.2370 42 Q 4.7366 8.4006 119.5107 55.1198 29.7877 176.5847 43 M 4.0529 9.0482 124.7713 58.8228 32.2828 177.4021 44 R 4.2723 7.7878 113.9870 56.8248 30.8805 176.3913 45 D 4.6403 7.5480 118.2294 52.8953 41.5532 174.5706 46 P 4.4325 0.0000 0.0000 62.4998 31.9645 176.7198 47 L 4.3059 8.1949 120.7191 53.7443 42.3676 175.5055 48 P 4.3211 0.0000 0.0000 62.1639 31.8872 174.3496 49 P 4.1896 0.0000 0.0000 64.4738 31.6857 176.7393 50 G 4.0309 8.9117 110.0281 45.2713 0.0000 173.4556 51 L 4.4248 7.3269 120.0884 54.4391 42.5400 176.3909 52 E 4.6063 9.6365 124.3379 54.7840 31.4976 175.2218 53 L 4.9141 8.4159 124.2704 52.9673 43.2969 177.2188 54 A 4.1117 9.1843 125.4877 55.0463 18.5821 177.8966 55 R 4.5291 7.3468 109.1170 54.3719 31.9432 172.7583 56 P 4.1919 0.0000 0.0000 62.6804 31.7971 176.2756 57 V 3.8088 7.8070 120.6940 62.2951 31.7526 175.8229 58 T 4.5413 8.4228 115.3049 60.9226 70.0436 173.4037 59 F 4.7307 7.9774 123.7311 56.4227 42.4433 173.3731 60 T 4.8123 7.2477 116.5689 58.9303 71.3849 171.7436 61 P 4.8118 0.0000 0.0000 62.5267 33.0897 174.9759 62 T 4.9934 8.2186 118.4038 61.7470 72.2317 172.8089 63 F 5.2000 9.3471 124.7149 55.8983 41.6423 174.5441 64 V 4.6350 9.0562 125.5923 61.0973 33.3668 174.5218 65 L 4.7181 8.9124 131.3958 55.1814 43.1372 175.1344 66 M 5.0279 9.2290 126.7612 53.7042 34.7958 175.1651 67 A 4.5622 9.0770 125.9158 49.6648 20.7002 177.1071 68 G 3.7960 8.9920 114.4779 48.3176 0.0000 173.1626 69 D 4.8537 8.7383 125.1872 53.4602 41.0441 175.1767 70 V 4.8984 7.4781 119.4728 59.3309 34.3521 174.7104 71 E 4.2758 8.8932 125.9781 57.1526 29.3545 176.3171 72 S 4.4144 9.3012 122.5078 60.2879 63.6963 173.5989 73 G 4.2123 7.6453 104.6609 46.2215 0.0000 172.0186 74 R 5.3617 8.5459 115.0816 54.8322 32.8491 174.2845 75 L 4.8703 9.2063 119.9160 53.0477 45.0346 175.3754 76 E 4.7791 9.1275 123.1111 56.5778 31.0316 176.4622 77 G 4.1226 10.3293 111.1566 45.4969 0.0000 172.9998 78 Y 5.1263 7.9998 117.9615 55.3954 38.7106 173.3714 79 P 3.9827 0.0000 0.0000 62.8896 32.3072 176.2578 80 G 4.1389 6.3900 106.5710 42.9880 0.0000 173.9521 81 E 4.2663 8.7296 119.9186 59.8348 29.2291 179.4121 82 D 4.6986 8.2729 116.0317 56.3797 41.0120 178.0264 83 F 4.2392 8.3113 118.7104 59.7731 39.1169 177.6152 84 F 4.1836 8.4085 119.8177 61.1049 39.3324 176.9336 85 W 4.3712 7.9830 118.6955 59.4758 29.0162 176.8712 86 P 4.3772 0.0000 0.0000 65.8466 31.0748 178.2590 87 M 4.0943 7.8185 118.6171 57.8819 31.7684 178.3933 88 L 3.7565 7.9199 120.6500 57.9613 42.1599 178.6661 89 A 4.0089 8.1180 120.8056 55.3112 18.2650 179.5025 90 R 3.8346 7.9541 116.9313 59.5768 30.0151 178.7289 91 L 4.0044 7.7715 118.1922 57.9516 41.4169 179.6202 92 I 3.8573 8.0131 119.0741 64.2863 36.8495 178.2962 93 G 3.8258 8.5200 107.2941 47.7775 0.0000 175.3565 94 Q 4.2198 7.8475 117.6146 57.9654 29.1008 177.4410 95 A 4.4525 7.7108 121.4794 52.7218 19.4947 177.6283 96 E 4.3495 7.6705 116.1030 54.4255 30.1001 174.4342 *97 P 4.2054 0.0000 0.0000 62.9136 31.5257 176.1431 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 A 8.26 4.29 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 2 E 8.55 4.25 0.00 2.21 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 3 L 9.24 5.48 0.00 1.83 1.63 0.96 1.01 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 4 R 8.48 4.88 0.00 1.74 1.79 0.00 3.11 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 5 L 8.83 5.05 0.00 1.92 1.67 1.07 0.98 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 6 L 8.83 4.54 0.00 1.66 1.09 1.04 0.42 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 7 M 8.83 4.50 0.00 1.67 1.47 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.99 0.00 8 F 8.97 4.84 0.00 2.82 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.19 5.21 0.00 1.77 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 2.03 2.04 0.00 10 Q 8.09 5.42 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.03 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 11 P 0.00 4.12 0.00 2.04 2.02 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 12 G 8.78 3.79 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 0.00 0.00 0.00 13 C 7.65 4.48 0.00 2.99 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 14 L 8.30 3.85 0.00 1.71 1.62 0.83 0.33 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 15 Y 8.08 4.06 0.00 3.23 3.23 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 16 C 8.35 4.32 0.00 3.13 3.35 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 17 A 8.07 3.92 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 18 R 8.28 3.92 0.00 2.26 2.31 0.00 2.83 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 19 W 8.25 3.42 0.00 2.91 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 20 D 8.32 4.32 0.00 2.88 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 21 A 7.92 4.14 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 22 E 7.63 4.24 0.00 2.03 2.22 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 2.33 2.41 0.00 23 I 6.79 3.79 0.56 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.01 -0.22 0.00 0.00 24 A 6.51 3.43 1.06 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 0.00 0.00 25 P 0.00 4.40 0.00 2.02 2.10 0.00 3.44 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 26 Q 8.09 4.16 0.00 2.47 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 27 Y 8.02 4.46 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 28 P 0.00 4.53 0.00 2.31 2.27 0.00 4.03 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 29 L 7.99 4.48 0.00 1.77 1.72 0.93 1.08 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 30 T 7.17 4.53 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 1.05 0.00 0.00 31 D 8.32 4.31 0.00 2.64 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.07 0.00 2.19 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 0.00 2.52 2.45 0.00 33 G 7.68 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 0.00 0.00 0.00 34 R 7.70 4.10 0.00 1.97 1.98 0.00 3.14 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 35 A 8.06 4.32 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 36 A 7.76 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 37 P 0.00 4.90 0.00 2.18 2.09 0.00 4.10 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.00 0.00 38 V 8.78 4.58 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 0.92 0.00 0.00 0.89 0.00 0.00 39 Q 9.12 4.50 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 40 R 8.60 4.69 0.00 1.62 1.73 0.00 3.15 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 41 L 8.50 4.75 0.00 0.65 1.29 0.54 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.40 4.74 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 43 M 9.05 4.05 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.49 0.00 44 R 7.79 4.27 0.00 1.83 1.95 0.00 3.24 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 45 D 7.55 4.64 0.00 2.80 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 4.43 0.00 2.05 1.99 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 47 L 8.19 4.31 0.00 1.67 1.66 0.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.32 0.00 2.19 1.99 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 49 P 0.00 4.19 0.00 2.04 2.01 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 50 G 8.91 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 0.00 0.00 0.00 51 L 7.33 4.42 0.00 1.75 1.68 0.98 0.85 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 52 E 9.64 4.61 0.00 1.89 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 0.00 2.49 2.40 0.00 53 L 8.42 4.91 0.00 1.49 1.75 0.82 0.96 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 54 A 9.18 4.11 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 55 R 7.35 4.53 0.00 1.85 1.85 0.00 3.02 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 56 P 0.00 4.19 0.00 1.99 1.96 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 57 V 7.81 3.81 1.48 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 0.57 0.00 0.00 -0.19 0.00 0.00 58 T 8.42 4.54 4.25 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 1.17 0.00 0.00 59 F 7.98 4.73 0.00 2.92 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 60 T 7.25 4.81 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 1.14 0.00 0.00 61 P 0.00 4.81 0.00 1.43 1.95 0.00 3.99 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.04 0.00 62 T 8.22 4.99 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 1.22 0.00 0.00 63 F 9.35 5.20 0.00 2.94 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 64 V 9.06 4.64 2.31 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 1.14 0.00 0.00 1.06 0.00 0.00 65 L 8.91 4.72 0.00 1.88 1.58 1.06 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 66 M 9.23 5.03 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.84 0.00 67 A 9.08 4.56 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 68 G 8.99 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 0.00 0.00 0.00 69 D 8.74 4.85 0.00 2.73 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 70 V 7.48 4.90 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 0.96 0.00 0.00 0.94 0.00 0.00 71 E 8.89 4.28 0.00 2.04 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 2.34 2.30 0.00 72 S 9.30 4.41 0.00 3.89 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 73 G 7.65 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 0.00 0.00 0.00 0.00 74 R 8.55 5.36 0.00 1.94 2.03 0.00 2.96 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 75 L 9.21 4.87 0.00 1.86 1.74 0.73 0.91 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 76 E 9.13 4.78 0.00 1.68 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 77 G 10.33 4.12 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 0.00 0.00 0.00 78 Y 8.00 5.13 0.00 3.28 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 79 P 0.00 3.98 0.00 1.03 1.51 0.00 3.86 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.85 0.00 80 G 6.39 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 0.00 0.00 0.00 81 E 8.73 4.27 0.00 2.24 2.37 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 2.61 2.64 0.00 82 D 8.27 4.70 0.00 2.62 2.64 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 83 F 8.31 4.24 0.00 3.35 3.20 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 0.00 84 F 8.41 4.18 0.00 3.36 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 85 W 7.98 4.37 0.00 3.44 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 86 P 0.00 4.38 0.00 2.26 2.33 0.00 3.80 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 87 M 7.82 4.09 0.00 2.08 2.24 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 2.72 2.58 0.00 88 L 7.92 3.76 0.00 0.96 1.56 0.91 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.12 4.01 1.41 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 90 R 7.95 3.83 0.00 1.92 2.08 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 91 L 7.77 4.00 0.00 1.94 1.72 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.01 3.86 2.01 0.00 0.00 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 1.51 0.64 0.97 0.00 0.00 93 G 8.52 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 94 Q 7.85 4.22 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.60 2.38 0.00 95 A 7.71 4.45 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 96 E 7.67 4.35 0.00 2.07 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 2.30 2.25 0.00 *97 P 0.00 4.21 0.00 1.86 1.90 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.