NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6312 8.3249 119.4757 57.4029 40.3797 174.0847 2 E 4.4548 8.5106 123.6811 53.5223 31.8808 174.2555 3 N 4.6309 9.3902 121.0927 53.5538 39.0357 174.3143 4 R 4.6485 8.3060 125.6003 56.1839 31.0997 179.2268 5 V 3.6146 8.6444 120.7075 66.0584 31.5389 177.1674 6 A 4.2525 8.0598 121.4050 54.8517 18.0738 179.3797 7 E 3.9848 8.1610 116.1718 59.3741 29.4853 179.5384 8 K 4.1778 7.8567 118.3784 59.2597 31.7338 179.2218 9 Q 4.0956 8.8861 118.9453 58.9129 28.4965 179.1258 10 K 3.9595 8.0338 120.2412 59.3120 32.0959 178.4584 11 L 3.7649 7.5147 119.2107 58.3376 42.1083 178.6522 12 F 4.2342 8.2540 114.5737 58.7377 39.1365 176.5579 13 Q 4.5269 7.4683 116.1416 54.3108 29.8040 175.3490 14 E 3.8775 7.2976 121.5446 56.8606 30.1253 177.2021 15 D 4.6384 8.4428 126.7840 52.9530 39.6278 174.9154 16 N 4.7974 8.0113 115.2594 51.3000 38.0962 176.7198 17 G 3.9114 8.3252 104.9164 46.1706 0.0000 174.3871 18 L 4.0702 7.9020 120.5204 53.7340 42.3489 175.4999 19 P 4.5533 0.0000 0.0000 62.1371 32.2008 177.7336 20 V 3.7851 8.3587 118.9029 64.8742 31.3949 177.6456 21 H 4.4930 8.2645 114.1788 56.9612 29.0135 175.4939 22 L 4.6998 7.8608 119.1767 54.3309 42.5828 177.5866 23 K 4.1839 8.0238 120.0988 57.7230 32.3070 177.7893 24 G 3.6977 8.9731 106.9320 46.3406 0.0000 172.2399 25 G 3.7630 7.5745 104.6538 44.2976 0.0000 174.3012 26 A 4.0796 8.7875 119.5462 55.2334 18.3281 180.0817 27 T 3.8762 7.9833 114.2112 67.0252 68.4648 176.1532 28 D 4.4311 8.1245 120.5272 57.3126 40.7124 178.7379 29 N 4.4195 7.9782 116.4945 56.3707 38.6772 177.1605 30 I 3.7173 7.7564 121.1612 64.5363 37.2286 178.2665 31 L 3.9502 8.2886 121.2674 58.1297 41.8085 178.2272 32 Y 4.1063 8.2713 119.5652 61.0292 38.7669 178.5276 33 R 3.5975 8.4777 119.2688 58.8212 30.0692 179.1027 34 V 3.5170 7.9512 118.3622 66.3422 31.4783 178.0696 35 T 3.7639 7.8524 115.2360 67.0325 68.3414 176.3241 36 M 3.8779 7.8375 120.1202 58.7749 32.1574 178.4052 37 T 3.8454 7.9415 116.0673 66.5635 68.5414 176.7076 38 L 4.0378 8.2793 121.3533 57.9035 41.5072 179.4980 39 C 4.1339 8.1495 116.7216 62.6849 28.0361 176.1391 40 L 4.0597 8.3730 121.0690 57.7089 41.1897 179.5602 41 G 3.8216 8.5214 106.1802 47.9393 0.0000 175.6063 42 G 3.8293 8.2839 108.8196 47.9471 0.0000 175.8619 43 T 3.9654 8.2676 118.5798 66.0679 68.4956 176.9152 44 L 4.0133 8.3306 121.3477 58.1365 41.7513 178.7989 45 Y 4.5017 8.9317 120.6614 61.0474 38.5485 178.5035 46 S 4.0144 8.3761 115.0679 61.0380 63.1355 176.5690 47 L 3.9811 7.9612 122.8632 57.7349 41.3806 178.4509 48 Y 4.2732 8.0511 119.4255 61.2279 38.6299 178.2236 49 C 3.8632 7.9811 117.3706 62.3777 28.1472 175.6620 50 L 4.0221 8.2492 122.5021 58.2901 41.4437 179.2565 51 G 3.7719 7.9091 103.9804 47.5548 0.0000 175.0857 52 W 4.1402 8.1923 130.4328 60.2892 30.6472 178.0201 53 A 4.1703 8.3770 118.9902 54.6225 17.8710 179.2364 54 S 4.0071 7.9977 112.8828 59.3143 63.2182 174.2200 55 F 4.7133 6.8065 119.6428 54.2579 41.4481 173.5034 56 P 4.2771 0.0000 0.0000 63.3138 31.7392 176.0143 57 H 4.5375 8.1197 117.4845 57.5338 29.4440 175.2084 58 K 4.3162 7.9557 124.2795 56.9924 32.0137 174.6477 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 F 8.32 4.63 0.00 2.95 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 2 E 8.51 4.45 0.00 2.03 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 2.24 2.36 0.00 3 N 9.39 4.63 0.00 2.72 2.79 0.00 0.00 6.92 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 4 R 8.31 4.65 0.00 1.91 2.04 0.00 3.44 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.55 0.00 5 V 8.64 3.61 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 1.04 0.00 0.00 0.99 0.00 0.00 6 A 8.06 4.25 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 7 E 8.16 3.98 0.00 2.15 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 2.41 2.42 0.00 8 K 7.86 4.18 0.00 2.05 2.08 0.00 1.99 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.65 1.72 7.81 9 Q 8.89 4.10 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 10 K 8.03 3.96 0.00 1.86 1.95 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 11 L 7.51 3.76 0.00 1.52 1.62 0.69 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.25 4.23 0.00 3.19 3.12 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 13 Q 7.47 4.53 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 14 E 7.30 3.88 0.00 1.96 1.90 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 2.29 2.23 0.00 15 D 8.44 4.64 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.01 4.80 0.00 2.78 2.81 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.33 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 0.00 0.00 0.00 18 L 7.90 4.07 0.00 1.78 1.58 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.55 0.00 2.27 2.19 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 20 V 8.36 3.79 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 0.91 0.00 0.00 0.93 0.00 0.00 21 H 8.26 4.49 0.00 3.32 3.47 0.00 5.46 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.86 4.70 0.00 1.56 1.57 0.69 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.02 4.18 0.00 1.94 2.14 0.00 2.03 0.00 0.00 1.97 0.00 0.00 2.99 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.32 1.33 7.81 24 G 8.97 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.57 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 26 A 8.79 4.08 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 27 T 7.98 3.88 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 1.25 0.00 0.00 28 D 8.12 4.43 0.00 3.05 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 29 N 7.98 4.42 0.00 2.97 2.92 0.00 0.00 7.14 7.26 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 30 I 7.76 3.72 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.88 0.93 0.00 0.00 31 L 8.29 3.95 0.00 1.94 1.74 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.27 4.11 0.00 3.23 3.26 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 0.00 33 R 8.48 3.60 0.00 2.00 1.95 0.00 3.29 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 34 V 7.95 3.52 2.24 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 1.03 0.00 0.00 0.94 0.00 0.00 35 T 7.85 3.76 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 1.18 0.00 0.00 36 M 7.84 3.88 0.00 1.66 1.37 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 2.49 2.51 0.00 37 T 7.94 3.85 4.37 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 1.17 0.00 0.00 38 L 8.28 4.04 0.00 1.76 1.70 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.15 4.13 0.00 3.07 2.96 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 40 L 8.37 4.06 0.00 1.68 1.71 0.91 0.82 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 41 G 8.52 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.28 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 43 T 8.27 3.97 4.42 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 1.24 0.00 0.00 44 L 8.33 4.01 0.00 1.99 1.79 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.93 4.50 0.00 2.97 3.25 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 46 S 8.38 4.01 0.00 4.05 4.22 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.98 0.00 2.03 1.82 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.05 4.27 0.00 3.20 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.98 3.86 0.00 2.98 2.78 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 50 L 8.25 4.02 0.00 1.87 1.84 0.92 1.02 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 51 G 7.91 3.77 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 0.00 0.00 0.00 52 W 8.19 4.14 0.00 3.04 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 4.17 1.44 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 0.00 0.00 54 S 8.00 4.01 0.00 3.98 3.37 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 55 F 6.81 4.71 0.00 2.72 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 56 P 0.00 4.28 0.00 2.09 1.97 0.00 3.86 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 1.94 1.95 0.00 57 H 8.12 4.54 0.00 3.01 3.35 0.00 5.97 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.96 4.32 0.00 1.79 1.87 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.33 7.81