NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5067 8.1476 118.3310 54.6941 33.6613 173.9426 2 V 3.5641 8.3291 120.3301 62.2024 32.1327 172.7431 3 K 4.8039 9.0998 127.5568 54.3056 34.7597 177.6320 4 I 3.9582 8.3352 126.3700 60.6475 37.1893 174.5160 5 R 5.1617 8.3224 127.0759 54.6103 32.8577 174.1095 6 L 5.1902 8.6043 117.3938 53.4749 44.3673 175.8968 7 A 4.6439 8.6539 123.9763 50.0448 21.9343 174.8779 8 R 3.9251 8.4707 123.2134 54.1141 31.0863 174.4035 9 F 5.0984 8.7240 126.5421 54.8596 41.5196 177.6905 10 G 3.6168 9.4188 117.3128 47.9699 0.0000 170.6224 11 S 4.7958 7.9713 117.5146 56.5954 66.5296 173.4926 12 K 4.0714 8.4375 120.7478 57.9974 32.5269 176.6935 13 H 4.0365 8.7383 117.8165 56.5976 27.1729 174.6781 14 N 5.0879 7.9376 116.1026 51.3706 38.9046 172.3168 15 P 4.2431 0.0000 0.0000 63.9370 32.7915 177.7391 16 H 4.5857 8.3747 120.4421 55.3100 32.1631 172.2712 17 Y 5.0299 9.0406 121.9033 57.0391 40.3933 174.8759 18 R 4.9805 9.0842 122.4060 54.6097 33.1356 174.8385 19 I 4.2371 9.8413 129.1942 61.1674 37.6666 175.2564 20 V 4.7231 8.3522 126.7221 59.4433 34.9225 175.3169 21 V 4.1357 8.4058 123.4067 60.7712 32.4944 174.7084 22 T 4.8632 8.2126 119.2886 59.5327 71.3291 172.7289 23 D 4.4830 8.6630 124.4050 53.9079 42.0978 176.1907 24 A 4.1029 8.2229 127.0782 55.6199 18.4955 179.8562 25 R 4.3204 9.4509 111.9713 57.0044 29.6032 177.0497 26 R 4.3816 7.4280 118.9488 55.0401 32.0704 175.6368 27 K 4.5276 8.0787 117.0033 55.2837 34.7171 177.1526 28 R 3.8965 8.6979 120.1209 59.4569 29.7044 177.7872 29 D 5.0209 7.9599 115.1387 53.9375 41.7918 176.7696 30 G 3.9975 7.6275 110.6931 44.2870 0.0000 173.8342 31 K 3.8938 8.5843 120.9091 56.5346 33.0146 176.4540 32 Y 4.9302 8.0402 123.2559 54.8726 40.1728 176.6378 33 I 3.8587 7.8879 124.2142 62.5363 37.6316 175.9746 34 E 5.5956 6.9679 127.3657 55.7030 33.1993 175.8299 35 K 4.1172 8.1588 127.8273 56.1944 33.2211 176.5126 36 I 4.6275 9.3459 117.0680 59.2302 38.6431 174.5505 37 G 4.5206 7.0269 111.6664 46.8100 0.0000 171.1147 38 Y 5.3172 7.1363 117.8954 55.4726 42.2421 173.8205 39 Y 5.1033 9.4395 121.0012 56.7086 42.8974 173.0554 40 D 4.6847 9.5736 128.6461 51.5375 41.3888 174.5490 41 P 4.1230 0.0000 0.0000 64.3783 31.1763 177.6266 42 R 4.2031 8.3034 115.8013 55.3278 30.6243 176.4406 43 K 4.0165 7.8810 118.0099 57.6640 29.8659 174.4348 44 T 4.4688 7.9193 102.3713 61.4909 69.9090 175.2856 45 T 4.2018 7.8122 114.8512 62.0336 69.9313 170.1177 46 P 4.4717 0.0000 0.0000 65.9028 31.2824 176.5774 47 D 4.8550 7.8911 119.4330 52.6179 39.4409 175.6899 48 W 4.6981 8.2282 116.2133 56.2493 30.1638 176.3705 49 L 4.6720 6.8890 117.8364 54.6285 43.8780 173.0478 50 K 4.5076 7.5317 127.1238 54.8588 36.2093 175.0012 51 V 4.2029 7.6705 120.4131 61.9781 34.3900 173.1862 52 D 4.5248 8.4419 127.2176 52.7743 39.9204 176.9501 53 V 3.5255 8.4120 118.6442 65.6904 31.5096 177.7070 54 E 3.5312 7.9886 114.4530 59.8882 29.5187 179.7800 55 R 3.8254 8.4340 116.1936 59.6688 30.5856 179.1519 56 A 4.1185 7.8712 119.8390 55.5429 18.2483 179.9792 57 R 3.6958 8.0418 116.2629 59.6781 30.0099 178.0612 58 Y 3.9701 7.3242 117.6296 60.8723 38.9281 177.8874 59 W 4.9039 8.3985 119.2011 60.3329 29.2344 178.5106 60 L 4.1467 8.0647 118.6746 57.6685 40.7387 178.9962 61 S 4.6367 7.8889 112.3860 58.3539 63.4396 175.6850 62 V 4.2510 7.7312 111.8279 63.0958 33.8060 175.1752 63 G 3.9881 8.0937 107.6920 45.1404 0.0000 173.8687 64 A 4.3363 7.8540 121.0149 51.7783 19.0757 178.5875 65 Q 4.6114 8.6537 122.2305 52.7715 29.8752 172.9709 66 P 5.2297 0.0000 0.0000 62.2692 32.4664 176.7236 67 T 4.1241 8.4136 118.4657 63.3855 69.4924 175.2395 68 D 4.2269 8.5542 121.9783 58.1462 40.1629 178.9703 69 T 3.9313 7.7549 111.5207 63.5888 67.8546 175.8899 70 A 3.7659 7.6946 122.9861 55.5229 18.7818 178.8619 71 R 3.9242 8.4294 117.3238 60.1174 30.1397 178.5030 72 R 3.7611 7.7576 118.1314 59.6675 29.8564 178.1197 73 L 3.9241 7.0360 117.5666 57.4264 42.0002 178.8602 74 L 4.0846 8.0502 119.2814 57.8617 41.5092 179.5154 75 R 4.2338 8.9644 118.8726 59.7245 29.9771 178.2197 76 Q 3.6164 7.7449 117.4119 58.8890 28.9796 178.5008 77 A 4.1968 7.4414 120.5366 55.6416 19.3072 177.4552 78 G 3.8314 8.4947 106.3363 45.5467 0.0000 176.0634 79 V 3.2844 7.8999 122.0565 65.3101 31.6618 177.1615 80 F 4.4065 8.1037 116.8400 59.0778 39.5214 176.3517 81 R 3.8764 7.1052 118.7254 57.2522 30.0048 175.6658 82 Q 4.3536 8.4675 120.8336 56.2990 28.7842 179.7457 83 E 3.0869 7.7013 113.3349 58.6512 31.0508 175.2887 *84 A 4.1104 7.5950 128.7895 52.5014 18.9361 176.2548 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 M 8.15 4.51 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 2 V 8.33 3.56 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 0.70 0.00 0.00 0.57 0.00 0.00 3 K 9.10 4.80 0.00 1.65 1.71 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.40 7.81 4 I 8.34 3.96 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.87 0.00 0.00 5 R 8.32 5.16 0.00 1.85 2.00 0.00 2.73 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 6 L 8.60 5.19 0.00 1.48 1.77 0.85 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.65 4.64 1.06 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 0.00 0.00 0.00 0.00 0.00 8 R 8.47 3.93 0.00 1.52 1.63 0.00 3.07 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.80 0.00 9 F 8.72 5.10 0.00 3.02 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 10 G 9.42 3.62 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 0.00 11 S 7.97 4.80 0.00 3.87 3.78 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 0.00 12 K 8.44 4.07 0.00 1.77 1.67 0.00 1.92 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.38 7.81 13 H 8.74 4.04 0.00 3.30 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.94 5.09 0.00 2.78 2.73 0.00 0.00 7.17 7.85 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 15 P 0.00 4.24 0.00 2.08 2.05 0.00 3.78 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 2.11 2.18 0.00 16 H 8.37 4.59 0.00 3.18 3.27 0.00 5.80 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 9.04 5.03 0.00 3.22 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 18 R 9.08 4.98 0.00 1.94 1.76 0.00 3.96 0.00 0.00 3.57 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 19 I 9.84 4.24 1.91 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 1.45 0.65 0.86 0.00 0.00 20 V 8.35 4.72 1.58 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 0.72 0.00 0.00 0.57 0.00 0.00 21 V 8.41 4.14 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 0.52 0.00 0.00 -0.26 0.00 0.00 22 T 8.21 4.86 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 1.19 0.00 0.00 23 D 8.66 4.48 0.00 2.65 2.54 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 0.00 0.00 0.00 0.00 24 A 8.22 4.10 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 25 R 9.45 4.32 0.00 1.73 1.97 0.00 3.16 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 26 R 7.43 4.38 0.00 1.85 1.92 0.00 3.43 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 27 K 8.08 4.53 0.00 1.94 1.93 0.00 1.54 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.44 7.81 28 R 8.70 3.90 0.00 1.80 2.04 0.00 3.25 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 29 D 7.96 5.02 0.00 2.74 2.81 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 30 G 7.63 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 31 K 8.58 3.89 0.00 1.70 1.74 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.41 7.81 32 Y 8.04 4.93 0.00 2.96 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 33 I 7.89 3.86 1.90 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 1.18 0.67 0.91 0.00 0.00 34 E 6.97 5.60 0.00 2.30 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 2.09 0.00 35 K 8.16 4.12 0.00 1.44 1.65 0.00 1.98 0.00 0.00 1.88 0.00 0.00 3.17 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.44 1.43 7.81 36 I 9.35 4.63 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.56 1.06 0.00 0.00 37 G 7.03 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.14 5.32 0.00 3.06 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 39 Y 9.44 5.10 0.00 3.01 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 40 D 9.57 4.68 0.00 2.68 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 41 P 0.00 4.12 0.00 2.27 2.28 0.00 3.36 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 2.00 2.26 0.00 42 R 8.30 4.20 0.00 1.87 1.97 0.00 3.29 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 43 K 7.88 4.02 0.00 1.45 1.34 0.00 1.45 0.00 0.00 1.34 0.00 0.00 2.51 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.90 7.81 44 T 7.92 4.47 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 1.29 0.00 0.00 45 T 7.81 4.20 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 1.36 0.00 0.00 46 P 0.00 4.47 0.00 2.30 2.29 0.00 3.86 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 47 D 7.89 4.86 0.00 2.82 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 8.23 4.70 0.00 3.72 3.44 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 49 L 6.89 4.67 0.00 1.25 0.46 0.92 0.18 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 50 K 7.53 4.51 0.00 1.39 0.74 0.00 1.64 0.00 0.00 1.44 0.00 0.00 2.56 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.06 1.17 7.81 51 V 7.67 4.20 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 0.64 0.00 0.00 0.79 0.00 0.00 52 D 8.44 4.52 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.41 3.53 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 0.72 0.00 0.00 0.88 0.00 0.00 54 E 7.99 3.53 0.00 2.20 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 2.36 2.36 0.00 55 R 8.43 3.83 0.00 1.86 1.94 0.00 3.05 0.00 0.00 2.96 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 56 A 7.87 4.12 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 57 R 8.04 3.70 0.00 2.05 1.93 0.00 3.11 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.81 0.00 58 Y 7.32 3.97 0.00 2.76 2.95 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 59 W 8.40 4.90 0.00 3.60 3.14 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 60 L 8.06 4.15 0.00 1.82 1.73 0.75 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.89 4.64 0.00 3.90 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 62 V 7.73 4.25 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 0.19 0.00 0.00 1.08 0.00 0.00 63 G 8.09 3.99 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 0.00 0.00 0.00 64 A 7.85 4.34 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 65 Q 8.65 4.61 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 66 P 0.00 5.23 0.00 2.12 2.10 0.00 3.46 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 67 T 8.41 4.12 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 1.18 0.00 0.00 68 D 8.55 4.23 0.00 2.67 2.67 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 69 T 7.75 3.93 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 1.13 0.00 0.00 70 A 7.69 3.77 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 71 R 8.43 3.92 0.00 1.86 2.09 0.00 2.97 0.00 0.00 2.65 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 72 R 7.76 3.76 0.00 1.88 2.02 0.00 3.11 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 73 L 7.04 3.92 0.00 1.79 1.46 -0.34 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.05 4.08 0.00 1.96 1.89 0.93 0.96 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 75 R 8.96 4.23 0.00 1.90 2.11 0.00 3.11 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 76 Q 7.74 3.62 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 77 A 7.44 4.20 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 78 G 8.49 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 0.00 0.00 0.00 79 V 7.90 3.28 1.69 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 0.34 0.00 0.00 0.90 0.00 0.00 80 F 8.10 4.41 0.00 3.04 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 81 R 7.11 3.88 0.00 1.85 1.90 0.00 3.25 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.64 0.00 82 Q 8.47 4.35 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 5.95 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 83 E 7.70 3.09 0.00 2.06 2.28 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 2.26 2.25 0.00 *84 A 7.60 4.11 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 * Residues marked with a * may have inaccurate shift predictions.