NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5503 8.3649 120.5369 54.3129 42.4277 173.6779 4 I 4.2568 7.5789 121.7052 60.4228 38.2437 173.5690 5 Q 4.7167 8.7418 130.5694 54.5872 31.1999 174.0638 6 V 4.5869 8.5984 127.6709 61.4836 33.5602 174.3367 7 Q 5.0993 9.2794 128.4056 54.3108 31.2221 174.8654 8 V 4.7331 9.2165 125.6309 61.1146 34.0651 173.8863 9 N 5.4284 9.6465 127.5425 52.1095 41.5607 172.9133 10 I 4.7592 8.7481 128.5417 59.7526 39.1868 174.4150 11 D 5.2158 8.0223 127.1700 52.8219 43.3133 176.1260 12 D 4.3953 8.9318 118.6553 55.1062 43.3339 172.7205 13 N 3.7706 9.1978 114.2482 54.1115 36.0051 174.0902 14 G 3.9953 8.9322 111.1407 46.3129 0.0000 172.9416 15 K 4.3303 7.7642 119.8340 53.0393 34.1693 177.9859 16 N 5.5070 8.8276 126.2603 51.4439 41.0891 174.1029 *17 F 4.5731 9.1443 126.7601 55.3895 41.2827 170.7377 18 D 5.0221 8.2205 122.6852 51.9605 43.2822 173.9359 19 Y 4.5576 9.1027 125.0198 56.6352 40.0108 175.1152 20 T 5.2233 8.3506 120.3650 62.0722 71.5393 172.8879 21 Y 4.9524 9.2066 122.9545 56.5436 42.8105 174.9576 22 T 5.0575 8.5465 116.3947 62.5295 72.1082 173.7553 23 V 4.5758 8.4019 119.2220 60.2773 35.8538 176.2301 24 T 4.8973 8.8171 117.2263 62.3069 71.1852 172.0504 25 T 4.0783 8.3159 127.0619 62.4586 73.4373 175.2758 26 E 3.9058 8.6926 120.8564 57.7109 29.6360 175.7215 27 S 4.6264 7.9779 117.3620 62.8329 63.2823 180.9624 28 E 4.5069 7.8573 118.8636 56.9444 29.5226 178.0144 29 L 3.9928 7.7641 124.8710 58.8256 42.4226 178.9666 30 Q 3.6033 7.9748 122.4437 60.3452 27.9343 181.4885 31 K 4.1506 7.7322 123.4013 60.0655 31.9364 183.7271 32 V 3.5613 7.2944 119.9300 65.9319 31.1791 177.5558 33 L 3.7925 8.3581 120.7279 58.4810 41.4967 179.2415 34 N 4.3330 8.1677 119.4210 57.9301 37.8384 178.5596 35 E 4.1538 8.2140 124.0529 59.2854 29.9147 180.0060 36 L 4.6236 8.0754 123.7845 56.2551 40.9192 180.8529 *38 D 4.6625 8.0630 121.0592 55.3638 43.1490 177.6979 39 Y 4.3087 7.2933 116.4847 61.4630 37.7821 179.2001 40 I 3.9002 7.9911 113.6160 63.5890 37.6038 178.2639 41 K 3.9108 8.0042 119.0601 59.2589 32.0419 178.3778 42 K 4.0086 7.9236 118.1901 59.9851 32.2153 178.2940 43 Q 4.1415 8.3586 118.4918 56.8079 30.2401 176.1535 44 G 4.0079 8.3580 107.8045 46.3027 0.0000 172.5763 45 A 4.4809 7.7688 121.7147 51.8741 20.7561 178.8633 46 K 4.3033 9.0265 126.5235 58.6154 32.7751 178.3925 47 R 5.2615 8.1142 121.2379 54.7244 32.9065 176.6276 48 V 4.6986 8.9443 123.0281 60.3242 35.2244 173.9503 49 R 5.1909 9.0391 127.6289 54.6641 33.3004 174.2469 50 I 5.2978 9.1005 126.3098 59.7037 41.5100 174.2491 51 S 5.2418 9.3423 121.7615 56.6267 66.3096 173.0167 52 I 4.9803 8.7583 123.6636 59.8620 40.3835 174.6579 53 T 4.7509 9.0089 124.9636 62.7514 69.3087 174.7194 54 A 4.8083 9.1029 132.1608 51.2609 20.6323 177.7766 55 R 4.2100 10.6400 116.9829 58.5413 29.9156 174.8409 56 T 4.8858 7.5802 106.1047 58.5269 72.2694 174.5032 57 K 3.8833 8.4218 124.2245 59.9117 31.5598 179.4305 58 K 4.1714 7.9560 117.9224 58.7695 31.9503 178.8542 59 E 3.6808 8.2828 120.1757 59.0674 29.6221 178.2561 60 A 4.2447 8.1246 120.2617 55.4301 18.1865 179.4544 61 E 4.2745 8.3520 119.1243 60.3365 29.7497 180.1515 62 K 3.9508 7.5229 122.7611 59.9314 31.6402 180.9116 63 F 4.8941 8.2376 118.2811 60.5210 38.8749 177.7418 64 A 4.1346 8.4612 120.4667 55.0591 17.8417 179.5426 65 A 4.0425 8.4256 119.5646 55.2414 18.4414 179.9947 66 I 3.7448 7.6964 117.8147 64.7384 37.3249 178.8000 67 L 4.1280 8.5334 119.9795 57.6107 41.2692 179.8233 68 I 3.8580 7.9677 120.1280 64.4270 37.0052 178.5743 69 K 4.0251 7.8801 119.0758 59.2173 31.8180 179.5339 70 V 3.5352 7.8061 118.5694 66.1947 31.4138 178.0938 71 F 4.1018 8.4271 117.1602 60.3989 38.6589 177.5705 72 A 4.3702 8.5740 124.3163 55.3697 18.0688 179.8506 73 E 4.0316 8.2568 115.6777 61.4776 29.8068 181.3517 74 L 4.5940 7.7353 115.5710 54.8349 41.4879 178.5223 75 G 3.8908 8.3886 107.7319 45.6424 0.0000 173.8292 76 Y 4.1689 8.5272 119.4595 57.7974 38.1508 175.6679 77 N 4.9440 8.5913 121.1026 52.7585 40.6474 174.2641 78 D 4.8270 7.9070 118.9130 52.3214 42.3035 173.4659 79 I 4.6276 8.0634 124.3148 59.2319 39.6089 174.4279 80 N 4.8992 8.9624 124.0411 51.4433 40.9286 173.7970 81 V 4.5929 8.3573 123.3813 61.3175 33.9191 174.6475 82 T 4.6720 8.5519 124.1302 61.7696 71.9949 172.7934 83 F 5.0541 9.0264 124.6303 55.9681 41.4253 175.6034 84 D 4.6873 9.2899 122.6372 52.7072 43.0474 177.7126 85 G 3.9557 8.6460 119.2514 46.7442 0.0000 172.0282 86 D 4.8512 9.1408 124.8680 54.0280 41.7847 174.7692 87 T 5.1362 8.0944 118.3649 61.9821 70.4114 173.8722 88 V 4.5392 8.7045 126.6893 60.1770 34.2277 175.0566 89 T 4.7641 8.9736 121.0194 61.9053 71.2836 173.0507 90 V 4.4824 8.7525 128.5303 61.2195 33.2973 174.0648 91 E 4.8470 9.0236 129.9919 54.2376 32.1689 174.9120 92 G 4.3250 8.8319 113.4902 44.3687 0.0000 171.3930 93 Q 5.4817 8.2672 117.7862 53.3483 32.6282 175.7173 94 L 3.5669 8.6671 124.1047 55.2366 41.6628 176.5829 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 3 D 8.36 4.55 0.00 2.71 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 4 I 7.58 4.26 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.05 0.80 0.00 0.00 5 Q 8.74 4.72 0.00 2.15 2.00 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 2.30 2.36 0.00 6 V 8.60 4.59 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 0.79 0.00 0.00 0.76 0.00 0.00 7 Q 9.28 5.10 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 8 V 9.22 4.73 2.38 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 0.95 0.00 0.00 0.98 0.00 0.00 9 N 9.65 5.43 0.00 2.81 2.66 0.00 0.00 6.63 7.81 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 10 I 8.75 4.76 1.96 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 1.17 0.63 0.99 0.00 0.00 11 D 8.02 5.22 0.00 2.67 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 12 D 8.93 4.40 0.00 2.68 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 13 N 9.20 3.77 0.00 2.97 2.79 0.00 0.00 6.91 7.98 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 14 G 8.93 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 0.00 0.00 0.00 15 K 7.76 4.33 0.00 1.68 1.66 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.27 1.24 7.81 16 N 8.83 5.51 0.00 2.65 2.67 0.00 0.00 6.94 7.02 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 *17 F 9.14 4.57 0.00 1.94 2.11 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 18 D 8.22 5.02 0.00 2.50 2.42 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 19 Y 9.10 4.56 0.00 2.99 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 20 T 8.35 5.22 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 1.23 0.00 0.00 21 Y 9.21 4.95 0.00 2.80 2.79 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 22 T 8.55 5.06 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 1.29 0.00 0.00 23 V 8.40 4.58 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 0.88 0.00 0.00 24 T 8.82 4.90 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 1.24 0.00 0.00 25 T 8.32 4.08 4.44 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 1.22 0.00 0.00 26 E 8.69 3.91 0.00 2.21 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 0.00 2.24 2.44 0.00 27 S 7.98 4.63 0.00 3.78 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 28 E 7.86 4.51 0.00 2.19 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 2.36 2.35 0.00 29 L 7.76 3.99 0.00 1.78 1.75 0.78 0.63 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 30 Q 7.97 3.60 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 31 K 7.73 4.15 0.00 1.76 1.84 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.06 7.81 32 V 7.29 3.56 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 -0.10 0.00 0.00 0.78 0.00 0.00 33 L 8.36 3.79 0.00 1.71 1.57 0.87 -0.10 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 34 N 8.17 4.33 0.00 2.82 2.77 0.00 0.00 7.15 7.19 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 35 E 8.21 4.15 0.00 2.03 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 2.41 2.09 0.00 36 L 8.08 4.62 0.00 1.65 1.62 0.92 1.05 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 *38 D 8.06 4.66 0.00 2.52 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 39 Y 7.29 4.31 0.00 2.95 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 40 I 7.99 3.90 1.84 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 1.37 0.95 0.94 0.00 0.00 41 K 8.00 3.91 0.00 1.91 1.93 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.51 7.81 42 K 7.92 4.01 0.00 1.77 2.11 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.50 7.81 43 Q 8.36 4.14 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.33 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 44 G 8.36 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 0.00 0.00 0.00 45 A 7.77 4.48 1.40 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 0.00 0.00 0.00 46 K 9.03 4.30 0.00 1.46 1.83 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.44 1.02 7.81 47 R 8.11 5.26 0.00 1.46 1.79 0.00 3.16 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.15 0.00 48 V 8.94 4.70 1.88 0.00 0.00 0.00 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 0.88 0.00 0.00 49 R 9.04 5.19 0.00 1.93 1.75 0.00 3.10 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 50 I 9.10 5.30 2.04 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.79 0.88 0.00 0.00 51 S 9.34 5.24 0.00 3.85 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 52 I 8.76 4.98 1.85 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.59 0.71 0.00 0.00 53 T 9.01 4.75 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 1.26 0.00 0.00 54 A 9.10 4.81 1.47 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 0.00 0.00 55 R 10.64 4.21 0.00 1.85 1.85 0.00 3.22 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.00 56 T 7.58 4.89 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 1.21 0.00 0.00 57 K 8.42 3.88 0.00 1.79 1.82 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.67 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.30 1.35 7.81 58 K 7.96 4.17 0.00 1.79 1.79 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.45 7.81 59 E 8.28 3.68 0.00 1.89 2.11 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 1.77 1.74 0.00 60 A 8.12 4.24 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 0.00 0.00 0.00 0.00 0.00 61 E 8.35 4.27 0.00 2.25 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 2.10 2.45 0.00 62 K 7.52 3.95 0.00 1.79 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 63 F 8.24 4.89 0.00 3.32 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 64 A 8.46 4.13 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.43 4.04 1.45 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 66 I 7.70 3.74 2.20 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.02 0.93 0.00 0.00 67 L 8.53 4.13 0.00 1.74 1.94 0.95 0.85 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 68 I 7.97 3.86 2.16 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.77 0.97 0.00 0.00 69 K 7.88 4.03 0.00 1.94 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.74 7.81 70 V 7.81 3.54 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 0.74 0.00 0.00 0.90 0.00 0.00 71 F 8.43 4.10 0.00 3.36 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 72 A 8.57 4.37 1.45 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 73 E 8.26 4.03 0.00 2.06 1.90 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 2.27 2.24 0.00 74 L 7.74 4.59 0.00 1.87 1.90 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.39 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 76 Y 8.53 4.17 0.00 3.57 3.17 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 77 N 8.59 4.94 0.00 2.62 2.82 0.00 0.00 6.80 8.17 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 78 D 7.91 4.83 0.00 2.77 2.53 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 0.00 0.00 0.00 0.00 79 I 8.06 4.63 1.79 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 1.13 0.70 0.66 0.00 0.00 80 N 8.96 4.90 0.00 2.52 2.64 0.00 0.00 6.24 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 81 V 8.36 4.59 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 0.52 0.00 0.00 0.86 0.00 0.00 82 T 8.55 4.67 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 1.22 0.00 0.00 83 F 9.03 5.05 0.00 2.88 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 84 D 9.29 4.69 0.00 2.59 2.53 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 0.00 0.00 0.00 0.00 85 G 8.65 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 0.00 0.00 0.00 86 D 9.14 4.85 0.00 2.78 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 87 T 8.09 5.14 4.42 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 1.23 0.00 0.00 88 V 8.70 4.54 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 0.93 0.00 0.00 0.27 0.00 0.00 89 T 8.97 4.76 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 1.17 0.00 0.00 90 V 8.75 4.48 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 0.71 0.00 0.00 0.86 0.00 0.00 91 E 9.02 4.85 0.00 1.95 1.64 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 2.12 2.20 0.00 92 G 8.83 4.32 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 0.00 93 Q 8.27 5.48 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 94 L 8.67 3.57 0.00 1.51 1.39 -0.27 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.