NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9612 8.3549 109.7334 45.7381 0.0000 175.2465 0 S 4.0495 8.2150 115.3188 60.6125 63.3568 173.4929 1 M 4.6823 7.2897 116.2135 54.0532 33.3656 174.9111 2 Q 4.4875 8.2605 117.6931 56.5065 29.1561 177.6027 3 I 4.1772 9.2418 119.7534 60.7382 39.2345 175.0330 4 F 4.7044 9.0306 123.1861 56.9975 39.9079 175.2697 5 V 4.5677 8.5379 121.8145 61.0975 35.6707 173.5630 6 K 4.9101 8.4784 126.2888 54.4985 34.4088 176.0018 7 T 4.1338 8.3676 118.3400 61.1526 69.5753 175.2691 8 L 3.9830 8.7016 123.6658 58.4779 41.9530 179.1790 9 T 3.9764 7.9976 107.4315 64.4705 69.0410 174.2294 10 G 3.7978 7.5733 116.4800 45.1340 0.0000 174.0431 11 K 3.9293 7.1857 121.1576 57.2022 32.8938 176.2976 12 T 4.2327 8.2511 118.1807 63.6905 69.5484 173.6105 13 I 4.6378 8.6772 124.1798 59.5352 41.5867 174.0883 14 T 4.9070 8.3212 123.9642 61.8660 71.7558 173.7341 15 L 4.4001 8.0795 126.3650 54.0078 45.4218 174.0931 16 E 4.6924 8.8011 125.6938 56.4494 30.5569 176.6115 17 V 4.5563 8.0471 115.4070 59.8723 36.5093 174.0946 18 E 4.0849 9.0160 124.4199 55.7326 30.0521 176.2933 19 P 4.2724 0.0000 0.0000 65.9731 31.4206 177.7196 20 S 4.2000 8.0407 112.2326 60.5969 62.5944 174.2142 21 D 4.4493 7.6654 120.0672 54.4487 41.2369 177.1192 22 T 3.9907 8.4926 113.9144 62.0856 70.3909 175.2091 23 I 3.7263 8.4356 124.6852 64.5957 37.2507 178.3480 24 E 3.9468 8.2115 117.8998 59.6255 29.2564 178.6570 25 N 4.2889 7.8992 117.4805 56.1440 38.7975 176.9671 26 V 3.5756 7.6974 118.6368 66.1026 31.9533 177.8766 27 K 4.0989 8.3384 118.1259 59.3803 31.9931 179.0573 28 A 4.6553 8.1208 122.4301 54.6008 18.1463 179.6285 29 K 3.9366 7.9789 117.6217 59.6338 32.2019 179.0209 30 I 3.7383 7.7325 120.2108 64.2820 36.3803 178.3519 31 Q 4.0422 7.8545 118.6558 59.1763 28.4103 178.3191 32 D 4.3717 8.0389 116.9021 57.3603 41.3011 177.9870 33 K 4.1893 8.1911 118.7297 59.4634 32.0340 176.7657 34 E 4.5138 8.8851 116.8862 56.2681 34.4902 174.2831 35 G 3.3133 6.9503 111.8562 46.1029 0.0000 173.1549 36 I 4.5917 6.9336 111.5524 57.7972 41.0882 173.8976 37 P 4.3122 0.0000 0.0000 62.3443 32.1904 175.4650 38 P 4.3089 0.0000 0.0000 65.8410 31.5972 178.5674 39 D 4.4906 8.1152 116.8725 57.4328 41.0561 177.7097 40 Q 4.1094 7.9080 116.9552 58.7957 28.8396 177.4923 41 Q 3.9845 7.4016 115.4823 56.2858 29.0653 176.3457 42 R 4.2613 8.4406 122.2878 55.0975 30.9617 175.7445 43 L 4.2906 8.3780 125.3108 54.3094 43.0504 175.7731 44 I 4.8044 7.5582 124.9570 59.7573 41.2378 174.4207 45 F 4.7267 8.6690 120.8020 55.7922 42.5239 174.7169 46 A 4.4700 8.3884 127.0302 50.8664 21.3196 176.2969 47 G 3.8359 8.6211 112.9529 45.9452 0.0000 174.3350 48 K 4.5706 8.0443 122.0132 54.6757 33.7097 174.3208 49 Q 4.0513 8.0105 117.3775 55.7723 29.1043 177.5309 50 L 4.2198 8.3961 125.1796 54.5396 39.9275 176.9687 51 E 4.0967 8.2176 121.9318 56.2473 29.5231 176.5051 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 G 8.35 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 0 S 8.21 4.05 0.00 3.96 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 1 M 7.29 4.68 0.00 2.38 1.92 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 2.53 2.56 0.00 2 Q 8.26 4.49 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 3 I 9.24 4.18 1.91 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 1.47 0.79 0.97 0.00 0.00 4 F 9.03 4.70 0.00 2.78 3.03 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 0.00 0.00 0.00 5 V 8.54 4.57 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 6 K 8.48 4.91 0.00 1.77 1.66 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.53 7.81 7 T 8.37 4.13 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 1.28 0.00 0.00 8 L 8.70 3.98 0.00 1.65 1.80 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.00 3.98 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 10 G 7.57 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 0.00 0.00 0.00 11 K 7.19 3.93 0.00 2.04 1.96 0.00 1.19 0.00 0.00 1.63 0.00 0.00 3.22 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.47 7.81 12 T 8.25 4.23 4.21 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 1.21 0.00 0.00 13 I 8.68 4.64 1.84 0.00 0.00 0.84 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 1.45 0.99 0.00 0.00 14 T 8.32 4.91 4.13 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 0.94 0.00 0.00 15 L 8.08 4.40 0.00 1.72 1.45 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.80 4.69 0.00 2.01 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 2.26 2.33 0.00 17 V 8.05 4.56 2.09 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 0.56 0.00 0.00 1.00 0.00 0.00 18 E 9.02 4.08 0.00 2.43 1.89 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 2.41 2.31 0.00 19 P 0.00 4.27 0.00 2.20 2.22 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 20 S 8.04 4.20 0.00 3.86 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 21 D 7.67 4.45 0.00 2.93 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 22 T 8.49 3.99 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 1.22 0.00 0.00 23 I 8.44 3.73 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.65 0.96 0.00 0.00 24 E 8.21 3.95 0.00 2.20 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 2.38 2.38 0.00 25 N 7.90 4.29 0.00 2.88 3.04 0.00 0.00 6.88 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 26 V 7.70 3.58 2.25 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 0.98 0.00 0.00 0.97 0.00 0.00 27 K 8.34 4.10 0.00 1.84 1.85 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.70 7.81 28 A 8.12 4.66 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 29 K 7.98 3.94 0.00 1.83 2.00 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 30 I 7.73 3.74 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 1.52 0.69 0.91 0.00 0.00 31 Q 7.85 4.04 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 32 D 8.04 4.37 0.00 2.66 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 33 K 8.19 4.19 0.00 1.87 1.85 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.67 1.61 7.81 34 E 8.89 4.51 0.00 1.88 1.83 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 2.23 2.38 0.00 35 G 6.95 3.31 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 36 I 6.93 4.59 2.09 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 1.41 0.64 0.91 0.00 0.00 37 P 0.00 4.31 0.00 2.20 2.03 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.13 0.00 38 P 0.00 4.31 0.00 2.18 2.11 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 39 D 8.12 4.49 0.00 2.67 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 40 Q 7.91 4.11 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 41 Q 7.40 3.98 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 42 R 8.44 4.26 0.00 1.79 1.87 0.00 3.20 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 43 L 8.38 4.29 0.00 1.62 1.66 0.78 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.56 4.80 1.77 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 1.42 0.68 0.89 0.00 0.00 45 F 8.67 4.73 0.00 2.88 2.90 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 46 A 8.39 4.47 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 47 G 8.62 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 4.57 0.00 1.67 1.68 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.32 7.81 49 Q 8.01 4.05 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.39 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 50 L 8.40 4.22 0.00 1.66 1.71 0.93 1.04 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 51 E 8.22 4.10 0.00 1.92 1.83 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 2.29 2.31 0.00