NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.6720 8.3549 109.6788 45.2167 0.0000 173.5782 2 F 4.6836 7.7748 117.4070 52.4752 41.2903 173.4110 3 P 4.4080 0.0000 0.0000 62.8541 32.6946 175.9978 4 I 4.4165 8.2359 122.2619 59.1814 36.8310 174.0605 5 P 4.3737 0.0000 0.0000 63.0130 31.5553 175.1616 6 D 4.9619 8.4902 120.0467 51.6706 43.2234 173.2178 7 P 4.6005 0.0000 0.0000 62.8013 31.5916 176.5687 8 Y 4.6274 8.7816 120.7253 57.0148 37.0284 174.3305 9 V 4.3366 7.4061 123.2460 59.7048 35.1478 174.8690 10 W 2.5400 8.0641 134.7245 56.8348 31.3398 174.8213 11 D 4.4776 6.6595 121.9064 50.4722 42.1901 174.4509 12 P 3.7243 0.0000 0.0000 65.0571 31.4070 178.7300 13 S 4.0359 7.7663 111.8667 60.2799 62.9485 174.9279 14 F 4.4296 7.3748 118.3869 57.0685 38.9723 175.8141 15 R 4.2404 7.4937 122.8757 57.0973 29.8771 176.2776 16 T 4.1709 9.4697 115.6086 61.6583 69.7011 175.7352 17 F 3.7205 7.7386 119.7997 58.2525 36.9376 174.8459 18 Y 4.6023 7.5422 120.2855 55.7732 38.8544 176.1050 19 S 4.1092 8.7117 121.3682 61.8200 62.8375 176.5024 20 I 3.6633 7.7769 121.8876 63.4309 37.7448 177.6786 21 I 3.7269 7.7928 120.1900 64.6142 37.0649 177.8955 22 D 4.4177 8.5420 120.0603 57.6148 40.3981 178.7462 23 D 4.0498 7.6824 118.3504 57.1734 41.0119 178.3727 24 E 4.0670 8.0166 119.2696 59.5883 29.5673 178.9645 25 H 4.3089 8.3301 116.5482 58.8810 28.9076 177.7556 26 K 3.8989 7.7402 120.5108 59.8026 31.7293 179.3960 27 T 3.9412 7.7469 109.5205 64.7425 68.6817 176.7086 28 L 3.9883 7.8191 121.3723 57.5479 41.6317 179.2800 29 F 4.0491 8.2867 117.5042 60.4595 38.8104 177.2406 30 N 4.5056 8.3620 116.4414 56.6492 38.9171 177.0142 31 G 3.7453 8.4448 107.3506 48.1566 0.0000 175.7292 32 I 3.8166 7.9856 122.3742 63.6858 37.2539 178.0197 33 F 4.1681 8.7832 121.9485 62.1043 39.2045 177.1392 34 H 4.3267 8.4925 115.4846 58.5995 28.6113 177.5606 35 L 4.1507 8.0147 121.7370 57.9629 41.5883 178.9197 36 A 4.1548 7.7849 120.2776 54.6889 18.3370 179.4868 37 I 4.0587 6.9071 116.5683 62.9526 37.9921 176.3224 38 D 4.6490 8.2335 121.8583 52.2621 41.8402 174.5971 39 D 4.8212 8.5318 127.2421 52.1085 39.7338 174.0309 40 N 5.2893 7.6388 120.3294 49.7742 41.1279 176.0444 41 A 3.9563 8.5134 118.5951 55.4508 18.4205 179.4047 42 D 4.2598 7.9905 116.8918 57.7169 40.9905 178.7040 43 N 4.3664 8.0286 116.4740 56.0025 38.5662 177.1154 44 L 3.7627 7.8910 122.0440 58.0064 42.0677 179.3136 45 G 3.4483 8.2173 105.8231 47.5191 0.0000 175.3649 46 E 3.8609 7.9116 121.1476 58.9413 29.6758 178.6247 47 L 3.8644 7.7461 120.3042 58.2216 42.1185 178.6445 48 R 3.6774 8.4311 119.0661 59.4496 29.8247 178.3686 49 R 3.7953 8.1124 118.2711 59.8000 30.1200 178.2836 50 C 4.0935 8.0883 116.4507 63.0134 27.9706 176.4836 51 T 3.5953 8.5636 117.8184 66.4479 68.0588 177.0510 52 G 3.5983 8.0872 107.8242 47.6094 0.0000 175.6453 53 K 3.9409 8.1938 122.1320 59.3974 32.2313 178.3828 54 H 4.3425 8.3871 118.6478 59.4529 29.8079 176.9381 55 F 4.2866 8.3390 119.9218 60.7418 38.7732 177.5595 56 L 4.0432 8.0722 119.6120 58.3151 41.9434 178.7754 57 N 4.3486 8.4216 116.6017 56.3731 38.4991 177.0995 58 E 3.8790 8.8970 121.0683 59.2197 29.5970 178.8866 59 Q 4.2323 8.4423 118.4734 58.9275 28.8269 178.8088 60 V 3.6930 7.9893 119.3380 66.0223 30.5866 177.9208 61 L 3.8996 7.9104 120.0555 58.1904 41.7959 178.8619 62 M 4.1417 8.0686 118.8591 58.4589 31.8715 178.7793 63 Q 3.8510 8.4473 118.2597 58.5689 28.5553 178.4582 64 A 4.0186 7.7756 121.2168 54.2059 18.5060 178.2824 65 S 4.5482 7.3503 111.9893 57.5234 64.0482 174.2603 66 Q 3.2329 8.0148 117.9597 56.1832 26.7360 174.2446 67 Y 4.2816 8.2999 118.0318 58.2704 39.6367 176.3436 68 Q 3.6067 8.5818 128.3501 58.8333 29.2524 177.5722 69 F 4.8810 5.5745 114.9916 57.4391 40.0305 177.5569 70 Y 4.3079 7.9212 122.9976 61.0793 38.6825 176.7681 71 D 4.3551 8.3231 119.2678 57.6158 40.8852 178.4763 72 E 3.9991 8.2160 119.1383 59.2975 29.7009 178.0885 73 H 4.0930 8.2247 118.1356 59.2147 29.9952 177.1178 74 K 3.7036 8.2040 121.6968 59.4672 32.0125 178.8624 75 K 4.2305 7.9390 118.2632 59.2376 31.8412 179.2909 76 E 4.1880 7.9295 119.2049 59.8620 29.4685 178.8129 77 H 3.7052 8.0914 116.2197 59.0573 28.6208 177.6740 78 E 4.1790 8.6198 122.6470 60.3246 29.2521 180.2063 *79 T 3.8941 8.0466 114.2857 65.9204 68.4884 178.6580 80 F 4.1789 8.0654 123.1919 61.0566 39.2767 177.3103 81 I 3.5710 7.9223 119.5168 64.7066 36.8094 177.8406 82 H 4.0726 8.6377 119.0976 59.2179 29.4787 177.1763 83 A 3.8907 7.9307 122.6243 55.1214 17.9763 179.6577 84 L 3.9971 7.5571 116.6213 57.5146 41.7360 178.6302 85 D 4.6245 7.8888 116.6642 54.9386 41.7211 175.9455 86 N 4.9973 7.5878 117.0938 51.7252 39.5338 175.1391 87 W 4.3080 8.3847 129.6445 58.0988 31.2518 175.7276 88 K 4.0935 7.7016 125.6923 53.9185 31.9768 173.1329 89 G 3.7205 5.4572 105.6705 46.8217 0.0000 175.1387 90 D 4.5356 6.3427 123.0480 53.6193 39.5669 177.3449 91 V 4.1429 7.9899 125.7956 65.3371 32.1067 177.4233 92 K 4.1841 8.1248 117.9792 59.1438 31.9694 179.0169 93 W 4.1512 8.7161 128.4216 60.5275 30.7363 177.7534 94 A 4.0706 8.4050 120.4217 55.1831 17.8748 179.6358 95 K 3.5546 8.5351 118.6348 59.0377 32.1677 179.8058 96 S 4.2322 8.0923 114.2668 60.7715 62.8895 176.3197 97 W 3.5437 8.1438 132.5313 60.0973 30.3784 177.7149 98 L 3.7744 7.9255 120.2874 57.9160 41.4583 178.9617 99 V 3.7152 7.5106 117.6681 66.3726 31.5364 177.8781 100 N 4.3800 8.0683 116.0947 56.2801 38.2301 176.9797 101 H 3.5333 7.8105 120.0898 58.9613 29.9038 177.4444 102 I 3.6803 7.3498 121.3933 64.4705 36.8302 178.7325 103 K 2.4800 7.2658 117.4654 57.7729 31.6133 178.5119 104 T 4.3441 7.4156 108.7136 62.4296 70.3017 175.9277 105 I 3.9677 6.9828 121.1093 63.3839 38.1383 177.7250 106 D 3.9665 7.8731 119.9519 57.1333 40.6374 178.8359 107 F 4.3642 7.9850 117.8407 60.2102 38.5663 177.7135 108 K 4.1834 7.5330 118.0237 58.9757 32.0775 177.7349 109 Y 4.6479 7.4028 115.9936 55.8606 38.1035 175.2933 110 K 4.3876 7.5782 121.7398 58.4851 32.3323 177.2665 111 G 4.0486 9.2257 112.0811 45.7809 0.0000 173.7425 112 K 4.6659 8.7464 118.0013 55.9029 33.8451 176.3595 113 I 4.4257 7.6161 116.4849 59.7306 37.6235 174.9666 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 G 8.35 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 2 F 7.77 4.68 0.00 3.08 2.83 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 3 P 0.00 4.41 0.00 2.24 2.10 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 2.03 2.01 0.00 4 I 8.24 4.42 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.93 1.10 0.00 0.00 5 P 0.00 4.37 0.00 2.36 2.23 0.00 4.01 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 6 D 8.49 4.96 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.60 0.00 2.40 2.25 0.00 3.87 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 2.02 2.00 0.00 8 Y 8.78 4.63 0.00 3.17 3.30 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 9 V 7.41 4.34 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 0.75 0.00 0.00 0.79 0.00 0.00 10 W 8.06 2.54 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 6.66 4.48 0.00 2.62 2.44 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 12 P 0.00 3.72 0.00 2.02 2.05 0.00 3.35 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 13 S 7.77 4.04 0.00 3.69 3.75 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 14 F 7.37 4.43 0.00 2.49 3.08 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 15 R 7.49 4.24 0.00 1.75 1.51 0.00 2.68 0.00 0.00 2.73 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.50 0.00 16 T 9.47 4.17 4.78 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 1.68 0.00 0.00 17 F 7.74 3.72 0.00 2.95 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 18 Y 7.54 4.60 0.00 3.06 2.93 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 19 S 8.71 4.11 0.00 4.04 4.19 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 20 I 7.78 3.66 1.88 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 1.64 1.20 0.94 0.00 0.00 21 I 7.79 3.73 2.24 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.52 1.11 0.00 0.00 22 D 8.54 4.42 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.68 4.05 0.00 2.72 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 24 E 8.02 4.07 0.00 2.15 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 2.33 2.54 0.00 25 H 8.33 4.31 0.00 3.47 3.71 0.00 5.65 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 26 K 7.74 3.90 0.00 1.73 1.65 0.00 1.16 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.41 0.53 7.81 27 T 7.75 3.94 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 1.23 0.00 0.00 28 L 7.82 3.99 0.00 1.79 1.70 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.29 4.05 0.00 3.26 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 30 N 8.36 4.51 0.00 2.91 3.02 0.00 0.00 7.11 7.31 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 31 G 8.44 3.75 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 0.00 0.00 0.00 32 I 7.99 3.82 2.18 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 1.48 0.76 0.69 0.00 0.00 33 F 8.78 4.17 0.00 3.62 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 34 H 8.49 4.33 0.00 3.41 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.01 4.15 0.00 1.88 1.81 1.12 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.78 4.15 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 37 I 6.91 4.06 1.90 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.28 0.89 0.00 0.00 38 D 8.23 4.65 0.00 2.54 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.82 0.00 2.95 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 40 N 7.64 5.29 0.00 2.90 3.04 0.00 0.00 6.00 7.76 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 41 A 8.51 3.96 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 42 D 7.99 4.26 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.03 4.37 0.00 2.70 2.85 0.00 0.00 6.73 6.74 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 44 L 7.89 3.76 0.00 1.63 1.68 0.02 1.07 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 45 G 8.22 3.45 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 0.00 46 E 7.91 3.86 0.00 2.21 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 2.30 2.35 0.00 47 L 7.75 3.86 0.00 1.73 1.65 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.43 3.68 0.00 1.84 1.99 0.00 3.07 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 49 R 8.11 3.80 0.00 1.93 2.02 0.00 3.13 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 50 C 8.09 4.09 0.00 3.10 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 51 T 8.56 3.60 4.05 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 0.62 0.00 0.00 52 G 8.09 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.19 3.94 0.00 1.91 1.97 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.59 7.81 54 H 8.39 4.34 0.00 3.33 3.41 0.00 5.85 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 55 F 8.34 4.29 0.00 3.08 2.92 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 56 L 8.07 4.04 0.00 1.92 1.85 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.42 4.35 0.00 3.03 2.86 0.00 0.00 6.71 7.78 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 58 E 8.90 3.88 0.00 2.01 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 2.13 2.29 0.00 59 Q 8.44 4.23 0.00 2.52 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 60 V 7.99 3.69 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 0.97 0.00 0.00 1.02 0.00 0.00 61 L 7.91 3.90 0.00 1.66 1.52 0.78 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 62 M 8.07 4.14 0.00 2.42 2.41 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.04 0.00 63 Q 8.45 3.85 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 1.52 2.13 0.00 64 A 7.78 4.02 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 65 S 7.35 4.55 0.00 4.11 3.85 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 66 Q 8.01 3.23 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 67 Y 8.30 4.28 0.00 3.01 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 68 Q 8.58 3.61 0.00 1.60 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.33 0.00 0.00 0.00 0.00 0.00 1.16 1.91 0.00 69 F 5.57 4.88 0.00 2.95 2.92 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 70 Y 7.92 4.31 0.00 3.30 3.03 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 71 D 8.32 4.36 0.00 2.80 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 72 E 8.22 4.00 0.00 2.07 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 2.43 2.38 0.00 73 H 8.22 4.09 0.00 3.66 3.37 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.20 3.70 0.00 1.06 1.65 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.42 7.81 75 K 7.94 4.23 0.00 1.97 1.89 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.80 1.65 7.81 76 E 7.93 4.19 0.00 2.20 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 0.00 2.60 2.50 0.00 77 H 8.09 3.71 0.00 3.24 3.06 0.00 5.64 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 78 E 8.62 4.18 0.00 2.24 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 2.40 2.60 0.00 *79 T 8.05 3.89 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 1.21 0.00 0.00 80 F 8.07 4.18 0.00 1.51 2.93 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 81 I 7.92 3.57 2.12 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.92 0.93 0.00 0.00 82 H 8.64 4.07 0.00 3.34 3.49 0.00 5.78 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 83 A 7.93 3.89 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 84 L 7.56 4.00 0.00 1.51 1.44 0.50 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.89 4.62 0.00 2.58 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 86 N 7.59 5.00 0.00 2.52 2.62 0.00 0.00 6.88 7.53 0.00 0.00 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 W 8.38 4.31 0.00 3.42 2.99 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 0.00 0.00 0.00 88 K 7.70 4.09 0.00 1.78 1.63 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 0.96 7.81 89 G 5.46 3.72 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 0.00 0.00 0.00 90 D 6.34 4.54 0.00 2.44 2.39 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 91 V 7.99 4.14 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 0.80 0.00 0.00 0.93 0.00 0.00 92 K 8.12 4.18 0.00 1.87 1.95 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.53 7.81 93 W 8.72 4.15 0.00 3.67 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 94 A 8.41 4.07 1.80 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 95 K 8.54 3.55 0.00 1.82 1.57 0.00 1.49 0.00 0.00 1.44 0.00 0.00 2.66 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 1.08 7.81 96 S 8.09 4.23 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 97 W 8.14 3.54 0.00 2.19 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 98 L 7.93 3.77 0.00 1.62 1.49 0.77 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.51 3.72 2.20 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 1.26 0.00 0.00 1.27 0.00 0.00 100 N 8.07 4.38 0.00 2.71 2.72 0.00 0.00 6.73 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 0.00 101 H 7.81 3.53 0.00 1.40 2.51 0.00 5.78 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 0.00 102 I 7.35 3.68 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.98 0.97 0.00 0.00 103 K 7.27 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.44 7.81 104 T 7.42 4.34 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 1.40 0.00 0.00 105 I 6.98 3.97 1.43 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.03 0.53 0.00 0.00 106 D 7.87 3.97 0.00 2.70 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 0.00 107 F 7.98 4.36 0.00 3.02 2.99 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 0.00 0.00 0.00 108 K 7.53 4.18 0.00 2.00 2.13 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.66 7.81 109 Y 7.40 4.65 0.00 2.68 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 0.00 0.00 0.00 110 K 7.58 4.39 0.00 1.87 1.84 0.00 1.76 0.00 0.00 1.29 0.00 0.00 2.28 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.59 1.43 7.81 111 G 9.23 4.05 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 0.00 0.00 0.00 112 K 8.75 4.67 0.00 2.12 2.13 0.00 2.23 0.00 0.00 2.06 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.54 7.81 113 I 7.62 4.43 1.74 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.09 0.69 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.