NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.5076 8.1076 122.4637 52.1773 20.1056 175.2541 3 Q 4.7392 8.4037 118.2081 55.9911 32.4302 173.0414 4 K 4.4601 10.1139 122.5308 54.4799 36.6767 174.2811 5 T 4.9042 8.0726 121.1167 61.8864 70.9256 173.5804 6 F 5.0022 9.1086 123.5714 57.0616 44.9209 174.1917 7 K 4.9810 9.2381 123.1162 53.2297 35.0083 175.2756 8 V 4.2581 9.3017 127.7072 62.6171 32.0152 176.3980 9 T 4.5823 9.4857 117.4190 61.1467 70.9191 173.9827 10 A 3.8553 8.1410 125.6082 52.6315 18.3106 177.7100 11 D 4.4612 8.8311 122.7554 56.8217 41.4694 176.6634 12 S 4.6832 7.7422 114.6242 58.3189 64.0704 175.3429 13 G 3.7641 7.6888 110.8843 46.4470 0.0000 174.3540 14 I 4.1453 8.1989 117.8654 60.0133 36.6288 175.8920 15 H 4.7267 7.5827 123.3289 54.4734 30.6944 175.5090 16 A 3.9991 8.9451 120.6267 57.4651 18.1290 180.1825 17 R 3.8923 8.2498 117.5003 61.3022 28.9471 178.9148 18 P 4.4595 0.0000 0.0000 65.0655 31.1137 178.4156 19 A 3.9599 7.8312 121.4544 55.1939 18.5521 179.2415 20 T 3.7711 8.0316 108.5739 65.1545 68.5943 176.2050 21 V 3.5399 7.5215 120.9506 65.4836 31.4830 177.7099 22 L 3.9135 7.4518 117.4565 58.2252 41.5680 180.2149 23 V 4.2243 7.9550 113.1438 63.5833 31.1837 178.4282 24 Q 4.0281 8.1864 119.4401 59.1547 28.9158 177.8099 25 T 4.1200 7.6950 116.2011 66.4023 68.7175 176.4967 26 A 4.4009 8.1343 122.7392 54.9129 18.1039 179.0139 27 S 4.6300 7.8316 111.1538 58.9248 62.7899 174.8512 28 K 4.2886 7.4750 119.4614 56.0436 32.6029 175.5613 29 Y 4.9205 7.3043 115.7321 56.1258 41.2094 175.4438 30 D 4.4635 9.0042 122.2526 56.8229 41.3423 177.3170 31 A 4.3817 7.9808 120.0002 52.2271 19.5663 176.7542 32 D 4.8660 8.7943 119.7652 53.3014 42.7512 176.2705 33 V 5.5023 8.2887 122.2863 59.0807 34.6207 174.6870 34 N 5.4178 8.7904 121.7315 51.2804 42.5540 173.0932 35 L 5.1398 8.7955 120.9811 53.6504 45.5063 174.3593 36 E 5.1667 9.4986 127.7752 54.7759 31.9523 174.0718 37 Y 5.0672 9.0531 127.3582 57.0798 42.6647 174.4166 38 N 3.6911 10.0656 124.0943 54.2602 36.6760 174.3928 39 G 4.2702 9.4833 112.6255 46.5630 0.0000 176.2954 40 K 4.2245 7.5515 121.6108 54.2240 32.3500 177.4937 41 T 5.2290 8.3203 118.5165 61.4265 71.4760 173.7124 42 V 4.6092 8.6983 117.8388 59.0984 36.5147 174.2754 43 N 4.7401 8.6505 121.3101 53.6769 38.9934 174.7762 44 L 4.1419 9.4302 128.8456 56.5028 43.3465 177.6893 45 K 4.4517 8.2964 117.7495 57.4015 31.9402 177.9122 *47 I 4.1911 7.8344 119.7216 61.6806 39.6620 177.6384 48 M 3.9374 7.9726 119.4024 58.3100 31.4492 178.8693 49 G 3.7120 8.0534 104.8233 48.4674 0.0000 174.9910 50 V 3.5956 7.5650 120.9966 65.7759 31.4078 177.5241 51 M 4.0372 8.0811 117.5396 58.8192 31.8092 178.8775 52 S 4.2103 8.0159 112.9159 61.3340 62.9446 176.3441 53 L 4.3288 8.3512 122.5965 55.3225 41.4343 177.2656 54 G 3.8578 8.1967 105.9321 46.0458 0.0000 173.4280 55 I 2.5740 7.6531 120.5795 61.3146 37.1231 175.7660 56 A 4.6672 8.0055 128.1936 49.4736 21.2878 175.3801 57 K 3.9703 8.2857 120.5095 58.3542 32.3820 176.8700 58 G 3.8950 9.2474 114.1838 45.3026 0.0000 173.0131 59 A 4.5084 7.6833 121.3142 51.1497 20.3783 176.7788 60 E 5.0864 8.9732 121.8056 54.6633 31.2042 175.0622 61 I 4.9715 8.4801 120.2547 59.4939 41.4691 174.6005 62 T 5.0797 8.8293 119.1207 62.0379 72.0293 172.9763 63 I 5.1114 8.9815 127.8695 59.7500 39.7383 175.0130 64 S 5.1793 8.8464 119.3548 56.9587 66.6919 172.6553 65 A 5.7669 8.9546 122.0253 50.5711 22.8918 176.3430 66 S 4.4660 8.4411 115.2436 58.1871 66.9490 174.3016 67 G 4.0204 8.1721 113.2799 45.8164 0.0000 171.4818 68 A 4.0091 8.6131 122.0055 55.4902 18.4478 180.0132 69 D 4.8138 7.9336 114.7096 53.9441 41.0623 178.2972 70 E 3.8444 7.8493 120.3399 61.5796 29.5022 178.7988 71 N 4.3441 8.0172 115.2949 56.6803 38.6974 176.6444 72 D 4.2175 8.0092 119.7802 56.7952 40.8984 178.0415 73 A 2.5800 7.8227 121.0046 55.1989 18.4422 179.7487 74 L 3.9305 7.5896 116.7025 58.1210 41.5880 179.6321 75 N 4.3932 8.3879 116.4945 56.0563 38.4245 177.3338 76 A 4.1069 8.0629 122.4016 54.8761 18.5907 179.6785 77 L 3.9783 8.0751 117.6998 57.6441 41.5109 179.3248 78 E 4.0048 8.4585 122.0317 59.9636 29.5797 179.3829 79 E 4.1315 8.0444 118.1670 61.3995 29.7331 181.0975 80 T 4.1066 7.9237 116.0554 66.7646 68.4182 176.7490 81 M 4.0617 7.9971 122.7606 57.8196 31.7872 179.2834 82 K 4.0735 7.3749 122.6601 58.9549 32.2103 183.8436 83 S 4.2848 7.9991 115.7214 61.7123 62.7647 175.7100 84 E 4.1731 7.8847 115.3139 55.7843 29.7682 176.8926 85 R 3.7340 7.4957 117.3858 57.2861 27.9726 176.1367 86 L 4.2746 8.9027 118.5546 53.9964 43.2776 178.0240 87 G 4.6362 7.2741 103.3361 46.0214 0.0000 171.9080 88 E 4.7425 8.0338 116.8005 57.0896 29.0818 174.9864 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 2 A 8.11 4.51 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 3 Q 8.40 4.74 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.57 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 4 K 10.11 4.46 0.00 1.37 1.65 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.29 7.81 5 T 8.07 4.90 4.11 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 1.25 0.00 0.00 6 F 9.11 5.00 0.00 2.90 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 7 K 9.24 4.98 0.00 1.35 1.65 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.21 7.81 8 V 9.30 4.26 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 0.97 0.00 0.00 0.84 0.00 0.00 9 T 9.49 4.58 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 1.30 0.00 0.00 10 A 8.14 3.86 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 11 D 8.83 4.46 0.00 2.65 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 12 S 7.74 4.68 0.00 3.91 3.86 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 13 G 7.69 3.76 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 0.00 0.00 0.00 14 I 8.20 4.15 1.75 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 1.23 0.80 0.82 0.00 0.00 15 H 7.58 4.73 0.00 3.34 3.44 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.95 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.25 3.89 0.00 1.83 1.90 0.00 3.27 0.00 0.00 3.39 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 18 P 0.00 4.46 0.00 2.13 2.23 0.00 3.42 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.68 0.00 19 A 7.83 3.96 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 20 T 8.03 3.77 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 1.28 0.00 0.00 21 V 7.52 3.54 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 1.00 0.00 0.00 0.91 0.00 0.00 22 L 7.45 3.91 0.00 1.93 1.68 0.88 0.82 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 23 V 7.96 4.22 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 1.12 0.00 0.00 0.97 0.00 0.00 24 Q 8.19 4.03 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 25 T 7.70 4.12 4.45 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 1.33 0.00 0.00 26 A 8.13 4.40 1.42 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 0.00 0.00 27 S 7.83 4.63 0.00 4.01 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 28 K 7.48 4.29 0.00 1.13 1.20 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.21 1.45 7.81 29 Y 7.30 4.92 0.00 2.99 2.98 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 30 D 9.00 4.46 0.00 2.74 2.75 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 31 A 7.98 4.38 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 32 D 8.79 4.87 0.00 2.68 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 33 V 8.29 5.50 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 1.03 0.00 0.00 0.97 0.00 0.00 34 N 8.79 5.42 0.00 2.74 2.92 0.00 0.00 6.49 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 35 L 8.80 5.14 0.00 1.69 1.48 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.50 5.17 0.00 2.03 1.82 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 2.24 2.39 0.00 37 Y 9.05 5.07 0.00 3.00 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 38 N 10.07 3.69 0.00 2.07 2.51 0.00 0.00 7.42 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 39 G 9.48 4.27 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 0.00 40 K 7.55 4.22 0.00 1.71 1.70 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.28 7.81 41 T 8.32 5.23 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 1.28 0.00 0.00 42 V 8.70 4.61 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 0.77 0.00 0.00 0.96 0.00 0.00 43 N 8.65 4.74 0.00 2.75 2.74 0.00 0.00 6.96 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 44 L 9.43 4.14 0.00 1.85 1.66 0.93 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.30 4.45 0.00 1.98 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.23 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.41 7.81 *47 I 7.83 4.19 1.87 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 1.41 1.24 0.91 0.00 0.00 48 M 7.97 3.94 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 49 G 8.05 3.71 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 0.00 0.00 0.00 50 V 7.56 3.60 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 0.88 0.00 0.00 0.93 0.00 0.00 51 M 8.08 4.04 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 52 S 8.02 4.21 0.00 4.06 4.27 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 53 L 8.35 4.33 0.00 1.70 2.06 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.20 3.86 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 0.00 0.00 0.00 55 I 7.65 2.57 1.60 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.31 0.57 0.00 0.00 56 A 8.01 4.67 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 57 K 8.29 3.97 0.00 1.91 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.62 7.81 58 G 9.25 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 59 A 7.68 4.51 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 60 E 8.97 5.09 0.00 2.03 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 2.31 2.34 0.00 61 I 8.48 4.97 1.94 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 1.31 0.75 0.84 0.00 0.00 62 T 8.83 5.08 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 1.22 0.00 0.00 63 I 8.98 5.11 2.09 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 1.48 1.01 1.00 0.00 0.00 64 S 8.85 5.18 0.00 3.87 3.90 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 65 A 8.95 5.77 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 66 S 8.44 4.47 0.00 3.74 3.74 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 67 G 8.17 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 0.00 0.00 0.00 68 A 8.61 4.01 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 69 D 7.93 4.81 0.00 3.00 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 70 E 7.85 3.84 0.00 1.96 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 2.38 2.67 0.00 71 N 8.02 4.34 0.00 2.70 2.83 0.00 0.00 6.94 8.08 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 72 D 8.01 4.22 0.00 2.82 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.82 2.58 1.10 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 0.00 0.00 0.00 74 L 7.59 3.93 0.00 1.94 1.72 0.99 0.62 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 75 N 8.39 4.39 0.00 2.84 2.85 0.00 0.00 6.94 7.38 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 76 A 8.06 4.11 1.42 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 0.00 0.00 77 L 8.08 3.98 0.00 1.87 1.70 0.93 0.67 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 78 E 8.46 4.00 0.00 2.39 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 0.00 2.50 2.81 0.00 79 E 8.04 4.13 0.00 1.98 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 2.24 2.22 0.00 80 T 7.92 4.11 4.33 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 1.16 0.00 0.00 81 M 8.00 4.06 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 2.31 0.00 82 K 7.37 4.07 0.00 1.81 1.80 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.34 7.81 83 S 8.00 4.28 0.00 3.80 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 84 E 7.88 4.17 0.00 2.03 1.92 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 2.28 2.28 0.00 85 R 7.50 3.73 0.00 1.90 1.92 0.00 3.14 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 86 L 8.90 4.27 0.00 1.54 1.58 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 87 G 7.27 4.64 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 0.00 0.00 0.00 88 E 8.03 4.74 0.00 2.22 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 0.00 2.32 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.