NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4157 8.3193 115.2892 58.4803 63.4656 172.1282 -1 N 4.6371 8.2439 120.6358 51.2562 40.1453 172.2857 0 A 4.3954 9.7172 122.9246 50.5122 20.2312 177.3411 0 V 4.1954 9.5072 118.3246 60.2122 34.0312 175.8411 3 Q 5.0408 8.3833 119.5363 55.1274 31.7356 173.8801 4 K 4.7063 8.9903 118.8227 54.9406 37.1094 175.0509 5 R 4.9211 8.5745 123.6874 55.3042 31.1220 175.8186 6 V 4.6040 8.8366 119.1896 59.6699 35.8197 174.5326 7 Q 4.5887 8.5160 124.5340 54.8275 30.9739 174.4539 8 V 4.3997 8.9361 128.1065 62.7095 32.2252 176.0653 9 S 4.7100 8.9506 122.6905 57.8383 64.1491 174.7567 10 L 4.0579 7.8579 121.6538 55.2794 41.9479 178.4152 11 K 4.0347 8.5937 121.8990 59.3173 31.7558 177.7665 12 N 4.5343 8.2459 114.1476 52.5692 39.2571 176.5158 13 G 3.9388 7.4339 107.8188 45.3403 0.0000 173.7797 14 L 4.3449 7.9143 118.0142 53.4539 40.4595 175.6203 15 Q 4.5234 7.6395 117.7309 54.4211 34.6047 176.2582 16 A 3.5445 8.1999 121.1516 53.9825 17.0050 180.3555 17 R 3.9734 8.6088 114.2423 60.8333 30.0944 176.2623 18 P 4.4196 0.0000 0.0000 65.6567 31.2921 178.3499 19 A 4.0042 8.0778 119.2851 55.0703 18.3382 179.4897 20 A 3.9841 7.7742 119.1558 55.4954 18.4262 179.9590 21 L 4.0372 8.3106 117.5560 57.6019 41.6136 179.4722 22 F 3.2133 8.3097 120.8333 61.1042 39.2769 177.4330 23 V 3.7487 8.0776 117.8968 65.8286 31.0699 177.6888 24 Q 3.8760 7.9173 118.5782 59.1354 29.1963 177.6761 25 E 3.8653 8.2114 120.1404 59.1371 29.7682 178.4574 26 A 4.0072 7.9494 121.1814 55.3982 18.2066 179.3100 27 N 4.3578 7.9651 113.1807 55.8542 38.5902 177.4193 28 R 3.8085 7.4072 118.9229 57.3901 30.3713 176.8576 29 F 4.7620 6.8631 116.5313 56.5927 40.2245 175.7568 30 H 4.2908 9.6302 121.4433 58.8317 28.7520 176.6250 31 A 4.3507 8.5049 120.0492 52.0872 19.1807 177.3497 32 D 4.5057 8.6822 119.7999 54.3415 42.4978 175.9023 33 I 4.9565 7.3488 121.6847 59.6619 41.4833 174.1604 34 F 5.3407 9.3427 124.7120 55.6943 43.4857 173.8572 35 I 5.1067 8.9352 121.8478 59.5418 40.6929 174.0784 36 E 5.2296 9.2871 127.2932 54.3006 32.8587 174.4974 37 K 4.6554 8.8761 127.1067 55.4378 35.9740 175.8079 38 D 4.5344 9.9871 127.1552 55.4729 38.4514 174.7652 39 G 3.9610 8.4629 105.2817 45.1732 0.0000 173.6621 40 K 4.6562 7.9639 119.8207 54.9750 34.3906 175.5429 41 T 5.1667 8.4942 120.1810 61.9518 71.5477 173.6131 42 V 4.6931 8.8964 118.1643 59.2067 36.7936 174.2057 43 N 4.8506 8.7812 120.9288 53.2791 39.2642 175.8732 44 A 4.1876 8.7392 130.2703 54.6115 18.6321 177.9709 45 K 4.1876 8.3504 114.0416 56.4951 32.6005 176.3966 46 S 4.6486 7.9030 115.8132 56.3072 63.1059 175.2856 47 I 3.8969 8.3167 128.5300 61.3521 37.2452 177.0257 *49 G 4.0645 8.2544 108.0942 45.3669 0.0000 176.8883 50 I 3.7263 7.6052 119.8285 61.3297 36.4673 178.1506 *52 S 4.4498 8.0466 116.6061 58.1888 64.5439 174.7042 53 L 3.9793 7.7855 119.2835 55.1308 42.1324 176.3436 54 A 3.6125 7.8504 120.5424 53.0671 15.8273 178.7020 55 I 3.9091 7.3126 122.5422 60.6112 37.2610 177.0295 56 G 4.3085 8.1774 115.0142 43.6987 0.0000 171.7227 57 T 4.0618 8.1372 116.0245 65.1964 68.6373 175.3563 58 G 4.0351 9.1322 114.3535 45.4761 0.0000 176.3856 59 S 4.3533 7.5413 116.6317 57.8987 62.9446 173.0464 *61 I 4.3588 8.0610 116.3202 62.2526 39.4500 174.8678 62 T 5.0521 8.6416 119.9198 62.0224 71.1244 173.2548 63 I 4.9206 8.7632 127.7282 60.0124 39.5593 174.8420 64 T 5.7581 9.1293 123.8060 62.0790 71.8570 173.2323 65 T 5.2456 8.4142 114.3708 60.4052 72.6459 172.9074 66 E 4.5255 8.6508 122.9028 54.4926 33.9335 175.6791 67 G 4.2897 8.7374 114.0242 44.2765 0.0000 172.8362 68 S 4.1749 8.4551 114.3938 60.6486 63.0512 174.8584 69 D 4.9488 7.8426 119.8791 52.3533 40.0818 178.1864 70 A 3.8730 7.9835 123.2791 56.5119 18.3254 179.5820 71 E 3.7885 8.0251 117.1924 59.2090 29.7260 178.2935 72 E 3.7995 8.0776 118.6763 59.1912 29.7446 178.4624 73 A 2.5800 7.6886 120.9283 54.3360 18.2216 179.2129 74 L 3.7738 7.7104 118.7995 58.5678 42.1597 179.2093 75 E 3.9325 8.3254 118.3427 59.0994 29.3247 179.2609 76 A 4.0288 8.1016 121.1470 55.2585 18.3682 179.7640 77 L 3.9637 8.0076 117.3340 57.6450 41.6659 179.5548 78 A 4.0781 8.3823 120.8995 55.2483 18.1778 179.6013 79 A 4.0904 8.1095 117.8021 54.9144 18.4314 178.9870 80 Y 4.1009 7.9140 118.0478 60.6847 39.1820 177.6063 81 V 4.1858 7.9420 112.3922 62.5834 31.9901 176.3136 82 Q 4.6629 8.0343 121.3507 55.5000 28.6323 175.6453 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 S 8.32 4.42 0.00 3.84 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 -1 N 8.24 4.64 0.00 3.24 2.74 0.00 0.00 5.88 6.38 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 A 9.72 4.40 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 0 V 9.51 4.20 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 0.77 0.00 0.00 0.93 0.00 0.00 3 Q 8.38 5.04 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 4 K 8.99 4.71 0.00 1.69 1.68 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.38 7.81 5 R 8.57 4.92 0.00 1.82 1.83 0.00 3.19 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 6 V 8.84 4.60 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 0.78 0.00 0.00 0.97 0.00 0.00 7 Q 8.52 4.59 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 8 V 8.94 4.40 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 0.86 0.00 0.00 0.90 0.00 0.00 9 S 8.95 4.71 0.00 3.87 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 10 L 7.86 4.06 0.00 1.80 1.64 1.08 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.59 4.03 0.00 1.74 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.39 7.81 12 N 8.25 4.53 0.00 2.76 2.84 0.00 0.00 7.06 7.95 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 13 G 7.43 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 0.00 0.00 0.00 14 L 7.91 4.34 0.00 1.42 1.43 0.68 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.64 4.52 0.00 2.28 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.60 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 16 A 8.20 3.54 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.61 3.97 0.00 1.96 1.96 0.00 3.29 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 18 P 0.00 4.42 0.00 2.37 2.21 0.00 3.90 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 19 A 8.08 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 20 A 7.77 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.31 4.04 0.00 1.97 1.95 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.31 3.21 0.00 2.86 3.06 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 23 V 8.08 3.75 2.12 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 0.98 0.00 0.00 1.17 0.00 0.00 24 Q 7.92 3.88 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 25 E 8.21 3.87 0.00 2.07 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 2.26 2.37 0.00 26 A 7.95 4.01 1.12 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 27 N 7.97 4.36 0.00 2.86 2.82 0.00 0.00 7.12 7.27 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 28 R 7.41 3.81 0.00 1.12 1.37 0.00 2.89 0.00 0.00 3.04 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.39 0.00 29 F 6.86 4.76 0.00 3.13 3.11 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 30 H 9.63 4.29 0.00 3.31 3.38 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.50 4.35 1.24 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 0.00 0.00 32 D 8.68 4.51 0.00 2.79 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 33 I 7.35 4.96 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.83 0.78 0.00 0.00 34 F 9.34 5.34 0.00 2.98 3.04 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 35 I 8.94 5.11 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.26 0.91 0.00 0.00 36 E 9.29 5.23 0.00 2.03 1.78 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 2.19 2.30 0.00 37 K 8.88 4.66 0.00 1.80 1.56 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.40 7.81 38 D 9.99 4.53 0.00 2.81 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 39 G 8.46 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 40 K 7.96 4.66 0.00 1.82 1.73 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.55 7.81 41 T 8.49 5.17 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 1.31 0.00 0.00 42 V 8.90 4.69 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 0.80 0.00 0.00 1.04 0.00 0.00 43 N 8.78 4.85 0.00 2.92 2.74 0.00 0.00 6.77 7.74 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 44 A 8.74 4.19 1.33 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 0.00 0.00 0.00 45 K 8.35 4.19 0.00 1.82 1.97 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.25 7.81 46 S 7.90 4.65 0.00 3.86 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 47 I 8.32 3.90 1.89 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 1.36 0.82 0.92 0.00 0.00 *49 G 8.25 4.06 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 0.00 50 I 7.61 3.73 2.01 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 1.57 1.45 0.82 0.00 0.00 *52 S 8.05 4.45 0.00 4.01 4.05 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 53 L 7.79 3.98 0.00 1.84 1.75 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.85 3.61 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.31 3.91 1.79 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 1.30 0.51 0.85 0.00 0.00 56 G 8.18 4.31 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 0.00 57 T 8.14 4.06 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 1.27 0.00 0.00 58 G 9.13 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 0.00 0.00 0.00 59 S 7.54 4.35 0.00 3.95 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 *61 I 8.06 4.36 1.94 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 1.48 1.19 0.88 0.00 0.00 62 T 8.64 5.05 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 1.26 0.00 0.00 63 I 8.76 4.92 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.85 0.95 0.00 0.00 64 T 9.13 5.76 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 1.30 0.00 0.00 65 T 8.41 5.25 4.18 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 1.11 0.00 0.00 66 E 8.65 4.53 0.00 2.11 1.87 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 2.25 2.29 0.00 67 G 8.74 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 68 S 8.46 4.17 0.00 3.98 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 69 D 7.84 4.95 0.00 3.11 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 70 A 7.98 3.87 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 71 E 8.03 3.79 0.00 2.06 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 2.36 2.48 0.00 72 E 8.08 3.80 0.00 2.06 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 2.44 0.00 73 A 7.69 2.58 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 3.77 0.00 1.76 1.84 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.33 3.93 0.00 2.07 1.97 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 2.32 2.47 0.00 76 A 8.10 4.03 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 77 L 8.01 3.96 0.00 1.66 1.75 0.60 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.38 4.08 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 79 A 8.11 4.09 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 80 Y 7.91 4.10 0.00 3.21 3.34 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 81 V 7.94 4.19 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 1.04 0.00 0.00 1.12 0.00 0.00 82 Q 8.03 4.66 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.