NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3586 8.3193 115.2894 58.5787 64.3662 174.8846 1 T 4.1629 8.0230 110.5044 60.4873 70.9328 174.6937 2 K 4.0738 8.6069 125.5999 59.7359 32.1495 178.8934 3 L 4.2233 7.9876 121.4432 58.3844 41.8787 178.9518 4 E 4.0323 8.0869 117.7863 59.3600 29.2473 179.2363 5 E 3.9499 8.4251 118.8807 59.7069 29.5114 179.0878 6 H 4.2704 8.2010 116.2252 58.9479 28.7533 177.9445 7 L 4.0944 8.1347 120.8255 57.7611 41.4420 179.1779 8 E 4.1046 8.6846 119.7848 58.9811 29.5585 179.0006 9 G 3.6961 8.5249 106.4067 47.7716 0.0000 175.7930 10 I 3.9108 7.9074 122.1115 64.1709 37.1636 178.4911 11 V 3.6265 7.7119 118.6766 66.2705 31.2025 177.7555 12 N 4.3631 8.3474 116.0199 56.4795 38.4608 177.5271 13 I 3.8429 8.0205 121.1651 64.2952 37.2398 178.0282 14 F 4.0968 8.6260 121.7396 61.9240 39.1201 177.0302 15 H 4.7652 8.5801 117.0103 58.2994 28.2650 177.3673 16 Q 3.8353 8.2356 120.9600 59.0489 28.5010 177.4638 17 Y 4.2586 7.5607 115.6001 59.4780 38.3855 178.1036 18 S 4.1516 7.7658 115.4251 61.3602 62.8693 176.7035 19 V 3.7104 7.4713 114.2480 63.1200 31.3172 177.6815 20 R 3.8938 7.4298 119.2412 59.3977 30.0393 177.0534 21 K 4.7535 8.1523 116.3931 53.4404 37.0261 181.2262 22 G 3.7749 8.2129 107.3509 48.5352 0.0000 175.9559 23 H 4.3500 8.5768 122.1494 54.8971 29.1429 176.1129 24 F 4.8622 8.5199 122.3936 59.3047 39.0843 175.7114 25 D 4.7749 8.1790 117.6012 54.2684 41.4899 175.0349 26 T 5.0360 7.4956 106.2979 60.6896 72.4799 172.9662 27 L 4.9846 8.4984 122.0214 53.2262 43.8237 177.1835 28 S 4.7859 9.1477 119.0244 57.2439 64.7574 175.1076 29 K 3.3785 8.3960 120.2543 59.4940 31.6855 178.6675 30 G 3.6055 7.8299 105.3867 47.3932 0.0000 175.6389 31 E 4.1380 8.0881 120.5317 59.2859 29.5824 179.1343 32 L 4.0320 8.3133 120.6140 57.7903 41.9055 178.9723 33 K 3.9842 7.8774 119.7066 59.4772 32.1267 178.9022 34 Q 4.0232 7.7476 117.2899 58.6012 28.5827 178.4335 35 L 2.7642 7.4872 121.1372 57.6148 41.9506 178.7701 36 L 3.9695 7.7670 119.1980 58.1226 41.3795 179.8116 37 T 3.8846 7.3176 108.1541 64.6870 68.9445 176.3613 38 K 4.1303 7.8938 121.5386 58.4575 32.4982 177.8037 39 E 4.6441 8.1229 115.5266 56.2481 30.2288 176.3906 40 L 4.8030 7.7274 119.1018 54.2651 43.5088 178.4599 41 A 4.0139 8.3847 124.3265 54.8868 18.4106 179.0927 42 N 4.7458 8.0434 110.3137 53.8524 39.2723 175.5192 43 T 4.3923 7.5569 113.9787 63.5205 70.2094 174.6375 44 I 4.4052 7.5801 123.2796 59.5865 39.8063 175.7963 *45 K 4.0723 8.7214 129.3356 55.5374 32.2685 173.2400 *46 N 4.7930 8.8342 110.1701 54.3299 34.9063 175.8729 47 I 3.7990 7.3857 122.7909 64.9561 38.1240 177.8527 *48 K 4.2165 8.0272 122.4312 56.6132 31.9691 182.8260 *49 D 4.6136 7.7549 120.6021 55.7682 41.3139 182.6160 50 K 4.0177 8.6659 123.8312 58.0789 32.2325 179.2396 51 A 4.0532 8.0463 123.5545 55.9863 18.5722 180.4820 *52 V 3.6318 7.7271 117.5104 66.1590 31.8014 180.2645 53 I 4.0685 7.5566 122.3986 64.7677 36.9961 178.6613 *54 D 4.4605 8.0142 124.7635 59.4567 39.7509 181.7101 55 E 4.3595 8.0396 119.9486 60.4279 29.7608 181.0067 56 I 3.9120 7.7126 119.2775 64.6092 37.2477 178.2304 57 F 4.2074 8.3766 123.8323 62.0818 38.9986 177.7925 58 Q 4.1180 8.0899 119.2370 60.0862 27.9320 180.4219 59 G 3.8785 7.7692 105.9905 47.7113 0.0000 175.6711 60 L 4.2142 7.6887 120.5073 56.4776 42.8436 178.0741 61 D 4.4169 7.3685 118.6003 53.3257 39.0007 175.4396 62 A 4.1316 8.4814 126.3615 53.1067 17.9273 178.4538 63 N 4.8371 8.0379 111.7411 52.0096 37.7914 174.7127 64 Q 3.6575 7.7506 115.3549 57.7675 26.5336 173.5359 65 D 4.7848 7.9116 114.7200 53.3891 39.6379 176.3767 66 E 4.3480 8.5896 112.6313 57.3592 27.7621 177.4907 67 Q 4.9527 8.0451 116.0502 55.1569 32.9376 175.5429 68 V 4.3632 8.9507 121.9181 61.0429 31.9455 175.2156 69 D 5.3016 8.7084 128.9492 52.5513 42.5153 176.3051 70 F 3.4074 8.8113 122.1157 61.8879 39.0847 178.0139 71 Q 3.9442 8.0988 119.0643 60.3625 28.2911 180.2423 72 E 4.2358 8.6958 120.8850 59.0504 29.4420 179.2237 73 F 4.2208 8.0443 120.7625 61.1654 39.2833 177.1756 74 I 3.3538 7.1937 118.9662 64.0550 36.8451 178.4437 75 S 4.0445 7.6870 116.2967 61.2366 62.5528 176.4339 76 L 3.7772 7.3648 122.6196 57.8921 41.8444 178.7171 77 V 3.2955 7.0191 117.9985 65.9698 31.3961 177.6287 78 A 3.9107 8.1027 120.5977 55.3736 18.1224 179.6982 79 I 3.5714 7.5146 117.4194 64.5562 37.2101 178.6611 80 A 4.0411 8.0791 121.4989 54.7567 18.0609 179.8088 81 L 3.9130 8.2254 118.2732 57.8386 41.7292 179.3274 82 K 3.9112 7.9768 119.2485 59.5707 31.9597 178.6704 83 A 4.0000 7.9138 120.3461 55.1655 18.3879 179.5133 84 A 3.9734 8.1881 119.3641 55.3185 18.2487 179.4325 85 H 4.1094 8.7115 117.2970 59.7048 29.8260 176.6671 86 Y 4.0399 7.9541 119.9102 61.2349 38.6093 177.4527 87 H 4.2972 8.5152 118.3826 59.3669 30.0079 177.0236 88 T 3.9019 7.6716 110.9198 64.7822 68.6526 174.5228 89 H 4.5066 7.4979 122.5440 55.6882 29.0018 174.9718 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 3.84 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 1 T 8.02 4.16 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 1.26 0.00 0.00 2 K 8.61 4.07 0.00 1.78 1.86 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.07 7.81 3 L 7.99 4.22 0.00 1.73 1.73 0.94 1.02 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 4 E 8.09 4.03 0.00 2.30 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 2.36 0.00 5 E 8.43 3.95 0.00 2.10 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 2.31 2.33 0.00 6 H 8.20 4.27 0.00 3.41 3.35 0.00 5.62 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 7 L 8.13 4.09 0.00 1.88 1.77 0.98 0.64 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 8 E 8.68 4.10 0.00 2.09 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 2.31 2.31 0.00 9 G 8.52 3.70 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 0.00 0.00 0.00 10 I 7.91 3.91 2.20 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 1.53 0.86 1.23 0.00 0.00 11 V 7.71 3.63 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 0.65 0.00 0.00 0.74 0.00 0.00 12 N 8.35 4.36 0.00 2.98 2.89 0.00 0.00 7.10 6.76 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 13 I 8.02 3.84 2.07 0.00 0.00 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 1.54 1.37 1.16 0.00 0.00 14 F 8.63 4.10 0.00 2.83 3.28 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 15 H 8.58 4.77 0.00 3.48 3.30 0.00 5.72 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.24 3.84 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 1.68 2.15 0.00 17 Y 7.56 4.26 0.00 2.93 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 18 S 7.77 4.15 0.00 4.04 3.31 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 19 V 7.47 3.71 1.71 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 0.65 0.00 0.00 0.81 0.00 0.00 20 R 7.43 3.89 0.00 1.82 1.95 0.00 3.16 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 21 K 8.15 4.75 0.00 1.76 1.53 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.26 7.81 22 G 8.21 3.77 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 0.00 0.00 0.00 23 H 8.58 4.35 0.00 3.24 3.22 0.00 5.62 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 8.52 4.86 0.00 2.99 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 25 D 8.18 4.77 0.00 2.70 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 26 T 7.50 5.04 4.38 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 1.33 0.00 0.00 27 L 8.50 4.98 0.00 1.90 1.70 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 28 S 9.15 4.79 0.00 3.88 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 8.40 3.38 0.00 0.79 1.41 0.00 1.37 0.00 0.00 0.66 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.27 7.81 30 G 7.83 3.61 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 0.00 0.00 0.00 31 E 8.09 4.14 0.00 2.30 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 2.44 2.34 0.00 32 L 8.31 4.03 0.00 1.99 1.76 1.14 0.70 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 33 K 7.88 3.98 0.00 2.04 1.96 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.35 7.81 34 Q 7.75 4.02 0.00 2.51 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.60 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 35 L 7.49 2.76 0.00 0.84 1.36 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.77 3.97 0.00 1.80 1.71 0.96 0.54 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 37 T 7.32 3.88 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 1.30 0.00 0.00 38 K 7.89 4.13 0.00 1.94 2.02 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.55 7.81 39 E 8.12 4.64 0.00 2.10 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 2.32 2.56 0.00 40 L 7.73 4.80 0.00 1.82 1.58 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.38 4.01 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 42 N 8.04 4.75 0.00 2.70 2.84 0.00 0.00 6.78 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 7.56 4.39 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 1.20 0.00 0.00 44 I 7.58 4.41 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 0.58 0.90 0.00 0.00 *45 K 8.72 4.07 0.00 1.68 1.71 0.00 1.94 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.01 7.81 *46 N 8.83 4.79 0.00 2.77 2.85 0.00 0.00 6.20 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 7.39 3.80 2.10 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 1.16 1.10 0.91 0.00 0.00 *48 K 8.03 4.22 0.00 1.81 1.70 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.33 1.00 7.81 *49 D 7.75 4.61 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 4.02 0.00 1.78 1.83 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.43 7.81 51 A 8.05 4.05 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 *52 V 7.73 3.63 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 0.85 0.00 0.00 0.93 0.00 0.00 53 I 7.56 4.07 1.88 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 1.39 0.78 0.92 0.00 0.00 *54 D 8.01 4.46 0.00 2.63 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.36 0.00 1.92 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 2.24 2.22 0.00 56 I 7.71 3.91 1.93 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 1.41 0.82 0.96 0.00 0.00 57 F 8.38 4.21 0.00 3.13 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 58 Q 8.09 4.12 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 59 G 7.77 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.69 4.21 0.00 1.51 1.69 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.37 4.42 0.00 1.92 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 0.00 0.00 0.00 0.00 62 A 8.48 4.13 1.22 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 0.00 0.00 0.00 63 N 8.04 4.84 0.00 2.83 2.99 0.00 0.00 6.29 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 7.75 3.66 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.39 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 65 D 7.91 4.78 0.00 2.76 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 66 E 8.59 4.35 0.00 2.14 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 2.17 2.13 0.00 67 Q 8.05 4.95 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 68 V 8.95 4.36 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 1.24 0.00 0.00 0.87 0.00 0.00 69 D 8.71 5.30 0.00 3.15 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 70 F 8.81 3.41 0.00 2.70 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 71 Q 8.10 3.94 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.02 0.00 72 E 8.70 4.24 0.00 2.01 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 2.34 2.29 0.00 73 F 8.04 4.22 0.00 3.10 2.65 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 74 I 7.19 3.35 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 -0.17 0.77 0.00 0.00 75 S 7.69 4.04 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 7.36 3.78 0.00 1.58 1.27 0.86 0.92 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 77 V 7.02 3.30 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 0.94 0.00 0.00 0.40 0.00 0.00 78 A 8.10 3.91 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 79 I 7.51 3.57 1.92 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 1.27 0.86 0.00 0.00 80 A 8.08 4.04 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 81 L 8.23 3.91 0.00 1.85 1.70 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.98 3.91 0.00 1.84 1.96 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 83 A 7.91 4.00 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 84 A 8.19 3.97 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 85 H 8.71 4.11 0.00 3.30 3.53 0.00 5.63 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 86 Y 7.95 4.04 0.00 3.05 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 87 H 8.52 4.30 0.00 3.29 3.54 0.00 6.01 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 7.67 3.90 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 1.30 0.00 0.00 89 H 7.50 4.51 0.00 2.91 3.09 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.