NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.9655 8.0244 114.2680 60.6204 38.4923 175.9872 4 R 4.0671 7.5305 120.5974 52.8396 30.2228 173.2587 5 P 4.3114 0.0000 0.0000 62.9720 32.8652 175.4334 6 L 4.5365 8.2307 124.5816 54.5912 40.6493 172.2059 7 H 3.8888 9.1607 116.9515 56.3333 29.4728 175.7815 8 D 4.7740 9.1852 124.9154 55.4337 42.3470 174.5659 9 R 4.3786 7.5221 116.6686 56.2759 31.4874 176.0679 10 V 4.7792 9.1137 121.5946 61.1297 35.5142 174.1404 11 I 5.0530 8.7726 126.4700 59.6530 40.0523 175.0986 12 V 4.9267 8.8597 119.7485 59.4597 36.6376 174.2343 13 K 4.6520 8.7562 123.5380 55.3771 34.1633 175.9078 14 R 4.6233 8.6399 126.1979 55.9567 30.8291 176.1763 15 K 4.4236 8.7280 126.0054 55.5652 33.4310 176.3674 16 E 3.8860 8.6901 119.2211 56.4592 29.2589 177.2340 17 V 3.6106 8.4317 124.0208 64.4571 32.4270 175.6055 18 E 3.6423 8.9145 124.5727 57.6322 26.8075 174.0673 19 T 4.1600 7.5454 112.5739 63.5473 68.5230 176.1535 20 K 4.7059 8.5388 129.9844 54.3610 30.1406 177.8204 21 S 4.5041 7.3334 108.4883 58.9868 64.5474 177.3970 22 A 4.4110 8.3155 121.7899 53.3064 18.1094 179.0927 23 G 3.8805 7.5291 104.9279 45.8960 0.0000 173.9630 24 G 4.2268 8.0007 103.3610 44.7120 0.0000 175.2653 25 I 3.8079 8.8407 124.1214 63.7352 37.1476 176.7869 26 V 3.6661 7.5754 119.6948 62.8336 31.8799 176.4366 27 L 4.2910 8.1827 130.3722 53.9399 40.5640 174.9909 28 T 4.0214 7.8570 116.9879 61.5452 69.0108 173.4593 29 G 4.2902 8.1930 119.2570 45.0932 0.0000 173.0660 30 S 4.5964 8.8171 118.2918 58.2346 63.4212 174.5741 31 A 4.3855 9.7314 124.3730 53.1848 21.6345 176.1486 32 A 3.9803 8.6431 118.7344 52.2254 16.5219 178.3430 33 A 4.4345 7.8924 119.9640 51.5237 20.2901 178.9420 34 K 4.5893 8.2284 119.4888 56.4288 35.3422 176.1033 35 S 4.8978 8.5134 111.1319 57.2330 64.9121 173.6174 36 T 3.9458 8.5512 113.9234 61.2795 70.8204 173.2435 37 R 5.0287 7.6741 122.9531 54.7838 32.1619 175.3499 38 G 4.4726 9.2768 112.0452 44.1886 0.0000 171.3708 39 E 4.7037 9.1731 127.6421 55.5486 30.8339 175.7679 40 V 3.9359 9.0281 129.0735 63.0618 32.0979 176.2360 41 L 4.5876 8.8845 127.5263 55.9801 43.8270 176.4921 42 A 4.6553 7.5042 117.5080 50.8400 22.6143 175.4029 43 V 4.5900 8.1664 118.6896 60.7430 34.7732 175.5940 44 G 3.9175 8.3978 114.1386 45.1000 0.0000 173.6509 45 N 4.6956 8.5232 115.3371 53.2571 38.3445 177.3984 46 G 3.8078 8.1491 109.1034 44.6862 0.0000 172.1949 47 R 4.7849 8.4812 119.2762 54.7050 30.9289 177.1352 48 I 4.1545 8.1279 124.9435 61.9375 38.8185 176.0642 49 L 4.1825 7.4869 119.0383 55.5791 42.1136 176.7468 50 E 3.9389 8.6548 120.0049 55.1160 28.4469 176.5063 51 N 4.3117 7.5153 111.9910 55.4353 40.3152 174.8463 52 G 3.8154 7.8937 108.1287 45.2481 0.0000 173.2705 53 E 3.5609 7.5719 119.0232 56.4177 29.9168 172.1013 54 V 4.5840 8.2751 116.1967 61.4119 33.1391 176.5828 55 K 4.7551 8.6820 127.2496 54.6226 35.1657 174.3764 56 P 4.9475 0.0000 0.0000 62.5198 32.8576 174.9167 57 L 4.8463 8.2808 119.0311 53.2804 43.9187 176.2684 58 D 4.6568 9.0246 120.2873 54.2965 41.3655 176.6517 59 V 4.3733 7.3558 110.9109 60.5741 33.3273 174.8396 60 K 4.6078 7.8267 118.6946 55.2361 35.2868 175.5208 61 V 3.7489 8.1159 120.4614 64.2301 31.8739 176.4562 62 G 3.9654 8.7470 116.0414 45.1011 0.0000 173.1389 63 D 4.6682 7.6062 118.6334 54.1436 42.7326 175.4749 64 I 4.9041 8.1605 120.3562 59.9814 38.5770 176.1241 65 V 4.1811 8.7305 121.3772 60.6252 33.8028 175.5333 66 I 4.9442 8.7902 125.0188 60.1225 38.4591 174.9752 67 F 5.3946 9.0085 122.2812 54.8948 40.9101 174.3064 68 N 4.4526 9.0186 119.6145 52.4568 39.7163 175.0162 69 D 4.5919 8.1212 123.7416 53.3217 40.1966 175.0374 70 G 4.1180 7.5379 111.5634 44.0102 0.0000 172.7913 71 Y 4.0263 8.6208 119.8228 60.1710 38.5746 177.4147 72 G 3.6459 8.3935 108.5458 47.6989 0.0000 173.1818 73 V 4.1219 7.6606 120.3416 63.1990 31.7905 175.6414 74 K 4.6853 9.1339 127.9303 54.6493 35.4488 175.5510 75 S 5.1625 8.2106 117.1915 57.3182 65.1714 172.1301 76 E 4.7375 8.1370 120.8244 55.7908 34.8512 174.6038 77 K 5.1729 9.1073 122.0709 53.9231 34.4381 175.3663 78 I 4.4268 8.1858 127.9787 60.7795 39.8118 175.5016 79 D 4.4410 9.7401 121.7090 54.9769 38.4864 174.0083 80 N 4.4420 8.3244 114.6340 53.6714 37.6135 174.0769 81 E 4.2008 8.1114 116.7571 56.5513 30.2231 175.6028 82 E 4.5393 8.5534 120.9877 56.2101 30.3637 176.5089 83 V 4.4886 9.0329 118.8559 59.3759 34.8594 174.8832 84 L 5.1629 8.9151 124.7990 52.9362 45.1661 175.4009 85 I 5.0365 8.4051 123.1186 59.9183 40.4662 174.6317 86 M 5.1438 8.4729 122.0829 55.3426 35.3735 174.0653 87 S 4.7570 9.2327 115.6475 57.2514 63.9669 175.5364 88 E 4.0539 8.7797 122.6465 59.1491 29.5503 179.4359 89 S 4.1767 8.0317 114.0334 61.4221 63.2876 175.1833 90 D 4.5796 8.0810 120.0425 56.7497 40.9182 176.8309 91 I 4.2651 7.1987 119.9932 61.3781 37.6958 175.4662 92 L 4.3867 8.8360 124.7737 56.1003 42.9568 176.2530 93 A 4.4201 7.1389 118.2765 52.1056 21.5927 175.1131 94 I 4.2066 8.1090 122.8595 59.8599 37.3581 177.3257 *95 V 3.9215 7.9144 120.2741 60.7335 32.1549 175.4559 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 I 8.02 3.97 1.85 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 1.28 1.11 0.89 0.00 0.00 4 R 7.53 4.07 0.00 1.84 1.90 0.00 3.28 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 5 P 0.00 4.31 0.00 2.39 2.13 0.00 3.71 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 2.19 1.93 0.00 6 L 8.23 4.54 0.00 1.58 1.55 0.85 1.08 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 H 9.16 3.89 0.00 3.49 3.31 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 9.19 4.77 0.00 2.83 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 9 R 7.52 4.38 0.00 1.74 1.89 0.00 3.25 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.53 0.00 10 V 9.11 4.78 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 0.94 0.00 0.00 0.95 0.00 0.00 11 I 8.77 5.05 1.83 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 1.17 0.55 0.88 0.00 0.00 12 V 8.86 4.93 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 0.60 0.00 0.00 0.51 0.00 0.00 13 K 8.76 4.65 0.00 1.89 1.93 0.00 1.31 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.46 7.81 14 R 8.64 4.62 0.00 2.09 1.98 0.00 3.30 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 15 K 8.73 4.42 0.00 1.72 1.77 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.57 7.81 16 E 8.69 3.89 0.00 2.07 2.01 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 2.28 2.25 0.00 17 V 8.43 3.61 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 0.78 0.00 0.00 0.93 0.00 0.00 18 E 8.91 3.64 0.00 2.17 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 0.00 2.24 2.29 0.00 19 T 7.55 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 1.21 0.00 0.00 20 K 8.54 4.71 0.00 1.72 1.85 0.00 1.76 0.00 0.00 2.61 0.00 0.00 3.27 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.52 7.81 21 S 7.33 4.50 0.00 3.93 3.98 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 22 A 8.32 4.41 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 23 G 7.53 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 24 G 8.00 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 0.00 0.00 0.00 0.00 25 I 8.84 3.81 1.87 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 1.30 0.57 0.91 0.00 0.00 26 V 7.58 3.67 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 0.75 0.00 0.00 0.93 0.00 0.00 27 L 8.18 4.29 0.00 1.64 1.58 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.86 4.02 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 1.24 0.00 0.00 29 G 8.19 4.29 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 0.00 30 S 8.82 4.60 0.00 3.87 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 31 A 9.73 4.39 1.20 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 0.00 0.00 32 A 8.64 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.89 4.43 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 34 K 8.23 4.59 0.00 1.82 1.17 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.41 7.81 35 S 8.51 4.90 0.00 3.85 3.63 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 36 T 8.55 3.95 4.09 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 1.04 0.00 0.00 37 R 7.67 5.03 0.00 1.96 1.93 0.00 3.07 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 38 G 9.28 4.47 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 0.00 39 E 9.17 4.70 0.00 2.08 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 2.30 2.26 0.00 40 V 9.03 3.94 2.17 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 0.86 0.00 0.00 0.96 0.00 0.00 41 L 8.88 4.59 0.00 1.59 1.65 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.50 4.66 1.17 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 0.00 0.00 43 V 8.17 4.59 2.07 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 0.82 0.00 0.00 0.91 0.00 0.00 44 G 8.40 3.92 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 0.00 0.00 0.00 45 N 8.52 4.70 0.00 2.76 2.86 0.00 0.00 6.89 7.65 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 46 G 8.15 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.48 4.78 0.00 1.80 1.89 0.00 3.07 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 48 I 8.13 4.15 1.69 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 0.69 0.84 0.00 0.00 49 L 7.49 4.18 0.00 1.63 1.61 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.65 3.94 0.00 2.12 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 0.00 2.23 2.25 0.00 51 N 7.52 4.31 0.00 2.84 2.92 0.00 0.00 7.10 7.86 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 52 G 7.89 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 0.00 0.00 0.00 53 E 7.57 3.56 0.00 2.06 1.94 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 2.19 2.33 0.00 54 V 8.28 4.58 2.07 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 0.96 0.00 0.00 0.91 0.00 0.00 55 K 8.68 4.76 0.00 1.83 1.89 0.00 1.37 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.51 7.81 56 P 0.00 4.95 0.00 2.10 2.11 0.00 3.72 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 1.98 1.99 0.00 57 L 8.28 4.85 0.00 1.62 1.70 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.02 4.66 0.00 2.62 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 59 V 7.36 4.37 2.07 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 0.81 0.00 0.00 0.92 0.00 0.00 60 K 7.83 4.61 0.00 1.84 1.84 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.37 7.81 61 V 8.12 3.75 2.07 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 0.82 0.00 0.00 0.96 0.00 0.00 62 G 8.75 3.97 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 0.00 0.00 0.00 63 D 7.61 4.67 0.00 2.82 2.62 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 64 I 8.16 4.90 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.61 0.95 0.00 0.00 65 V 8.73 4.18 2.14 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 0.74 0.00 0.00 1.02 0.00 0.00 66 I 8.79 4.94 2.03 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 1.31 0.61 0.91 0.00 0.00 67 F 9.01 5.39 0.00 3.10 2.91 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 68 N 9.02 4.45 0.00 2.76 2.80 0.00 0.00 7.11 9.21 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 69 D 8.12 4.59 0.00 2.58 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.54 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 71 Y 8.62 4.03 0.00 2.95 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 72 G 8.39 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 73 V 7.66 4.12 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 0.90 0.00 0.00 1.24 0.00 0.00 74 K 9.13 4.69 0.00 1.61 1.59 0.00 1.56 0.00 0.00 1.42 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.42 7.81 75 S 8.21 5.16 0.00 3.86 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 76 E 8.14 4.74 0.00 1.93 1.76 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 2.14 2.30 0.00 77 K 9.11 5.17 0.00 1.64 1.65 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.33 7.81 78 I 8.19 4.43 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 1.40 0.49 0.90 0.00 0.00 79 D 9.74 4.44 0.00 2.91 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 80 N 8.32 4.44 0.00 2.87 2.97 0.00 0.00 7.17 7.65 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 81 E 8.11 4.20 0.00 2.28 1.85 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 2.33 2.32 0.00 82 E 8.55 4.54 0.00 1.86 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 0.00 2.31 2.29 0.00 83 V 9.03 4.49 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 0.84 0.00 0.00 0.97 0.00 0.00 84 L 8.92 5.16 0.00 1.60 1.51 1.01 0.74 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 85 I 8.41 5.04 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.81 0.86 0.00 0.00 86 M 8.47 5.14 0.00 1.94 2.25 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 87 S 9.23 4.76 0.00 3.99 4.02 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 0.00 0.00 0.00 88 E 8.78 4.05 0.00 2.03 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 2.32 2.29 0.00 89 S 8.03 4.18 0.00 3.93 3.94 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 90 D 8.08 4.58 0.00 2.94 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 91 I 7.20 4.27 2.06 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 1.32 0.60 0.96 0.00 0.00 92 L 8.84 4.39 0.00 1.71 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.14 4.42 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 94 I 8.11 4.21 1.88 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 1.30 0.74 0.97 0.00 0.00 *95 V 7.91 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.