NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.9653 8.2133 109.7364 45.5072 0.0000 173.7334 -1 S 3.7974 8.5974 114.2282 59.9943 63.2503 174.9850 *979 T 4.3321 8.6143 110.4755 61.7820 71.5491 175.8258 980 S 4.1025 8.0697 117.7109 61.4856 62.7778 175.9819 981 D 4.3546 8.2015 121.5728 57.5059 40.6090 179.1749 982 V 3.5577 7.8036 118.2576 65.9104 31.6045 177.8618 983 A 4.0010 7.8918 120.2100 55.3680 18.1989 179.4443 984 N 4.3150 8.4287 115.1638 56.4326 38.5385 177.6614 985 L 4.1204 8.3550 120.5984 57.7718 41.6708 179.5371 986 A 3.9870 8.0574 120.7673 55.1272 18.3077 179.4251 987 N 4.3062 8.1045 114.8664 56.5633 38.6334 177.5429 988 E 3.9694 8.4156 120.1062 59.0511 29.4570 179.1842 989 K 3.8823 8.3261 120.0524 59.5764 32.2887 178.3975 990 E 3.9188 8.2127 119.4527 59.2951 29.5744 178.4110 991 E 3.9534 8.3716 119.3976 59.2459 29.6839 178.7380 992 L 4.0193 8.0826 119.0836 57.6900 41.6012 179.0442 993 N 4.2941 8.4598 116.9030 56.5097 38.5402 176.9129 994 N 4.3053 8.1825 117.5116 56.5201 38.6387 177.6711 995 K 4.0032 8.1167 119.6418 59.2927 32.0364 179.3029 996 L 3.9351 8.1304 120.7920 57.8447 41.9287 178.8321 997 K 3.9512 8.3662 122.1924 60.1332 32.0638 179.2035 998 E 3.9555 8.3269 118.2639 61.1106 29.5936 180.6720 999 A 4.1967 8.1556 122.2582 55.2419 18.5856 179.8722 1000 Q 3.9471 8.3894 116.6492 58.9246 28.7109 178.8474 1001 E 3.9932 8.5566 120.1928 59.4577 29.4696 179.1324 1002 Q 4.0214 8.4336 118.4936 59.1523 28.8800 179.1804 1003 L 4.0376 8.2254 120.0532 57.7802 41.5978 179.7457 1004 S 4.2237 8.1813 117.3658 61.9903 62.7257 177.4893 1005 R 3.9284 8.1105 123.3472 61.6070 29.0467 181.0643 1006 L 4.3895 8.2066 121.0298 57.3778 41.6434 180.3228 1007 K 4.1654 7.8035 124.0301 59.9169 31.7607 183.8393 1008 D 4.7887 8.0953 121.5475 56.6233 40.9417 179.2150 1009 E 4.0985 8.2055 121.3918 61.2812 29.5885 184.6593 1010 E 4.3906 7.9450 116.9698 60.6069 29.9521 183.2484 1011 I 4.1090 7.6348 120.5858 65.4561 37.6108 178.9252 1012 S 4.1663 8.3179 119.4826 63.2077 62.0349 178.2360 1013 A 4.2286 8.0403 124.1704 54.9916 18.1791 179.6085 1014 A 3.9792 7.9526 118.9411 54.7210 18.3317 179.4109 1015 A 4.1107 7.9642 118.7420 54.5585 18.4778 179.6539 1016 I 3.7148 7.5479 118.3964 63.7224 37.2251 178.1455 1017 K 4.0458 8.4610 120.8131 59.7046 31.9705 178.7692 1018 A 4.2625 7.8649 121.8159 54.4003 18.2346 179.4539 1019 Q 3.8201 7.8513 118.2489 59.4246 29.1286 178.2193 1020 F 4.3499 8.1580 118.9418 60.8460 38.5894 177.5937 1021 E 3.9966 8.6071 118.1365 59.2876 29.2737 179.1846 1022 K 3.9528 8.3342 119.8764 59.8418 32.1544 178.7580 1023 Q 4.0285 8.2733 118.1340 58.8180 28.5076 178.8688 1024 L 3.9715 8.2621 120.1743 57.6976 41.6686 178.8983 1025 L 3.9336 8.0213 120.3880 58.7632 41.9244 179.1547 1026 T 3.8671 8.0399 115.2083 66.8229 68.3738 176.4597 1027 E 3.9950 8.4524 120.5732 59.5785 29.4084 179.7374 1028 R 3.9457 8.3941 118.4586 59.3367 29.9737 179.3496 1029 T 3.8670 8.2772 116.0351 66.6121 68.5174 176.7634 1030 L 3.9646 7.9242 120.9014 57.5164 41.6548 179.2729 1031 K 3.8526 8.1968 119.6537 60.1728 32.0762 178.9698 1032 T 3.9311 8.2148 116.0197 66.5507 68.2997 176.8229 1033 Q 3.9639 8.4639 120.2002 58.9104 28.7636 178.7584 1034 A 3.9792 8.0653 121.7318 55.0735 18.3947 179.7812 1035 V 3.5360 7.8497 116.7263 66.4056 31.6374 178.0843 1036 N 4.4496 8.4003 116.2707 55.9674 38.4201 177.4850 1037 K 3.9704 8.2544 121.3113 59.2148 32.0484 178.7288 1038 L 3.9342 7.9005 119.6924 58.0205 42.1134 178.4019 1039 A 4.1258 8.1680 120.0644 55.1423 18.3836 178.8873 1040 E 4.0848 7.9036 116.5925 59.3512 29.6152 180.1671 1041 I 3.8288 7.6531 117.3754 61.8213 36.8526 177.0382 *1043 N 4.5462 8.0845 117.3779 53.0723 40.1713 175.4793 1044 R 4.2714 7.7186 122.3441 56.5207 30.1484 180.2896 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 G 8.21 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 -1 S 8.60 3.80 0.00 3.98 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 *979 T 8.61 4.33 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 0.00 980 S 8.07 4.10 0.00 4.06 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 0.00 981 D 8.20 4.35 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 982 V 7.80 3.56 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 1.01 0.00 0.00 0.99 0.00 0.00 983 A 7.89 4.00 1.38 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 0.00 0.00 0.00 984 N 8.43 4.31 0.00 2.87 3.03 0.00 0.00 7.07 7.47 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 0.00 985 L 8.36 4.12 0.00 1.87 1.72 0.95 0.75 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 0.00 986 A 8.06 3.99 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 0.00 987 N 8.10 4.31 0.00 2.96 2.88 0.00 0.00 7.04 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 988 E 8.42 3.97 0.00 2.14 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 2.33 2.41 0.00 989 K 8.33 3.88 0.00 1.80 1.99 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 990 E 8.21 3.92 0.00 2.13 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 0.00 2.31 2.36 0.00 991 E 8.37 3.95 0.00 2.12 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 0.00 2.30 2.39 0.00 992 L 8.08 4.02 0.00 1.89 1.70 0.92 0.49 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 0.00 993 N 8.46 4.29 0.00 2.92 2.88 0.00 0.00 6.99 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 994 N 8.18 4.31 0.00 2.94 2.87 0.00 0.00 7.10 6.94 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 0.00 995 K 8.12 4.00 0.00 1.94 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.72 7.81 996 L 8.13 3.94 0.00 1.76 1.87 0.92 0.57 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 0.00 997 K 8.37 3.95 0.00 1.92 2.03 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 998 E 8.33 3.96 0.00 2.02 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 2.20 0.00 999 A 8.16 4.20 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 1000 Q 8.39 3.95 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 1001 E 8.56 3.99 0.00 2.21 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 2.33 2.35 0.00 1002 Q 8.43 4.02 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 1003 L 8.23 4.04 0.00 1.87 1.71 0.92 0.85 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 1004 S 8.18 4.22 0.00 4.04 3.91 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 1005 R 8.11 3.93 0.00 1.82 1.94 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 1006 L 8.21 4.39 0.00 1.71 1.77 0.92 0.79 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 1007 K 7.80 4.17 0.00 1.80 1.81 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 1008 D 8.10 4.79 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1009 E 8.21 4.10 0.00 1.97 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 2.24 2.19 0.00 1010 E 7.94 4.39 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 1011 I 7.63 4.11 2.03 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 1.50 0.88 0.91 0.00 0.00 1012 S 8.32 4.17 0.00 3.73 3.87 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 1013 A 8.04 4.23 1.38 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 0.00 0.00 0.00 1014 A 7.95 3.98 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 1015 A 7.96 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1016 I 7.55 3.71 2.04 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 1.29 0.63 0.91 0.00 0.00 1017 K 8.46 4.05 0.00 2.00 1.99 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.53 7.81 1018 A 7.86 4.26 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1019 Q 7.85 3.82 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 1020 F 8.16 4.35 0.00 3.38 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 1021 E 8.61 4.00 0.00 2.25 2.03 0.00 0.00 0.00 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 2.43 0.00 1022 K 8.33 3.95 0.00 1.86 1.97 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.54 7.81 1023 Q 8.27 4.03 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 1024 L 8.26 3.97 0.00 1.98 1.73 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 1025 L 8.02 3.93 0.00 1.88 1.90 0.93 0.77 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 1026 T 8.04 3.87 4.41 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 1.22 0.00 0.00 1027 E 8.45 3.99 0.00 2.09 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 2.60 2.52 0.00 1028 R 8.39 3.95 0.00 1.97 1.98 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 1029 T 8.28 3.87 4.43 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 1.21 0.00 0.00 1030 L 7.92 3.96 0.00 1.71 1.72 0.93 0.66 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 1031 K 8.20 3.85 0.00 1.89 2.04 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 1032 T 8.21 3.93 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 1.21 0.00 0.00 1033 Q 8.46 3.96 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 1034 A 8.07 3.98 1.38 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 0.00 0.00 0.00 1035 V 7.85 3.54 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 1.06 0.00 0.00 0.96 0.00 0.00 1036 N 8.40 4.45 0.00 2.82 2.84 0.00 0.00 6.71 6.77 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 1037 K 8.25 3.97 0.00 1.87 1.80 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 1038 L 7.90 3.93 0.00 1.94 1.80 0.92 0.95 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 1039 A 8.17 4.13 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 1040 E 7.90 4.08 0.00 2.12 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 2.32 2.35 0.00 1041 I 7.65 3.83 2.00 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 1.73 0.98 0.91 0.00 0.00 *1043 N 8.08 4.55 0.00 2.80 2.89 0.00 0.00 7.12 7.66 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 1044 R 7.72 4.27 0.00 2.02 1.90 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 * Residues marked with a * may have inaccurate shift predictions.