NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.1426 8.1849 122.4907 54.8646 43.1550 176.1868 5 R 4.1032 8.4906 125.0255 53.9821 29.9579 170.7246 6 V 4.1937 8.8393 125.0579 60.7403 33.5290 175.7251 7 Q 4.1623 8.6259 126.9028 55.4821 30.5919 176.3018 8 P 4.2544 0.0000 0.0000 66.2726 31.5393 178.6990 9 E 3.9873 8.1587 117.2725 58.6865 29.3325 178.8143 10 A 3.9705 7.8948 121.3240 55.0222 18.5238 179.1970 11 Q 3.9040 8.2899 117.9329 59.1752 29.0832 178.2668 12 A 3.9964 7.9934 121.9425 55.0542 18.4845 179.5842 13 K 3.8891 7.8912 116.6837 59.6373 32.0477 179.7209 14 V 3.6463 7.5462 118.0736 66.2551 31.5671 177.5386 15 D 4.4064 8.3799 119.0011 57.6176 40.6729 179.3462 16 V 3.5669 7.9106 118.4006 65.8399 31.5155 177.7840 17 F 4.1765 8.1125 119.8269 61.6244 39.4530 177.1465 18 R 3.6150 8.3773 117.8881 59.2447 29.7783 179.0667 19 E 3.8700 8.0833 118.1456 59.4778 29.5411 178.7311 20 D 4.3076 7.8978 118.9169 57.5323 40.9275 178.9491 21 L 3.7545 7.6490 120.5726 58.0783 41.9501 178.5775 22 C 4.0243 7.6890 118.2010 62.6053 31.4916 175.6054 23 T 3.9316 7.8977 117.2531 66.7744 68.0837 176.5500 24 K 3.8102 8.2912 120.6204 60.0969 32.1851 179.5126 25 T 3.7920 7.8632 115.6999 66.3996 68.2993 176.8753 26 E 3.9558 8.2195 120.7623 59.2371 29.5305 179.1429 27 N 4.3095 8.1255 116.7690 56.0229 38.5275 177.2240 28 L 3.7740 7.7927 120.4135 57.7866 41.4653 179.5862 29 L 3.7968 7.1681 116.8311 57.8013 41.8109 179.7787 30 G 3.7875 7.9372 103.1434 46.6268 0.0000 173.3971 31 S 4.6922 8.0323 113.5565 59.1036 68.3239 175.1574 32 Y 4.0179 8.3864 120.3199 60.8290 38.5449 177.8828 33 F 4.4634 8.7047 118.6545 60.5402 39.0090 176.0486 34 P 4.3602 0.0000 0.0000 65.1643 30.9835 178.7559 35 K 3.9379 8.0823 118.6761 59.5714 32.2524 179.1017 36 K 3.8210 8.2984 119.1472 59.4913 31.7615 179.4314 37 I 3.7269 7.8379 120.1177 64.3867 37.0924 178.7225 38 S 4.1606 7.7762 116.1877 61.3712 62.7262 176.3860 39 E 3.9428 8.3509 121.4653 59.6234 29.3177 179.4770 40 L 4.1541 8.0078 118.8004 57.9314 41.4479 179.1356 41 D 4.3515 7.7540 117.0728 57.1412 41.5041 177.9971 42 A 4.1514 7.8939 121.0582 54.9857 18.5239 179.0822 43 F 4.3889 8.3720 119.2581 61.8980 39.1270 177.4676 44 L 3.8677 7.8641 117.2443 57.4248 41.5189 178.8498 45 K 4.2245 7.6272 115.2163 56.2992 32.4494 176.9393 46 E 4.3301 7.4691 121.3364 54.8173 30.7031 175.5242 47 P 4.2223 0.0000 0.0000 65.6452 31.8017 178.6357 48 A 4.0062 8.2700 119.8297 55.2202 18.2530 178.0777 49 L 4.5668 7.4428 113.0351 54.7067 41.7464 177.8443 50 N 4.9369 8.0067 117.2107 51.6224 40.0852 171.8092 51 E 4.5789 8.0763 118.2103 54.0344 32.2774 176.1484 52 A 3.9709 8.8561 127.4129 54.9381 19.0325 177.1087 53 N 4.6987 7.9099 116.6036 52.0534 38.6370 175.8049 54 L 4.2992 8.3144 123.4258 56.0468 42.1647 178.5734 55 S 4.5140 7.8910 113.8154 58.9501 62.9826 174.3904 56 N 4.6107 7.6895 118.2595 54.6537 38.8818 176.2891 57 L 4.0584 7.5396 119.0245 56.4957 42.4353 176.7803 58 K 3.7010 7.9874 119.0570 57.0540 32.2180 175.2028 59 A 4.7496 8.2769 128.9120 49.3536 20.9992 174.5531 60 P 4.3935 0.0000 0.0000 62.9997 31.8594 176.6772 61 L 4.4503 7.9408 121.6323 53.4208 42.3694 173.1328 62 D 4.6483 8.3181 121.8125 52.7778 41.5896 176.3111 63 I 4.2043 8.0969 126.5962 61.5764 38.1209 175.3255 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 4 L 8.18 4.14 0.00 1.60 1.64 0.92 0.61 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 5 R 8.49 4.10 0.00 1.91 1.88 0.00 3.22 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 6 V 8.84 4.19 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 0.83 0.00 0.00 0.93 0.00 0.00 7 Q 8.63 4.16 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 8 P 0.00 4.25 0.00 2.26 2.31 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 9 E 8.16 3.99 0.00 2.18 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 0.00 2.36 2.32 0.00 10 A 7.89 3.97 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 11 Q 8.29 3.90 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 12 A 7.99 4.00 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 13 K 7.89 3.89 0.00 2.04 1.89 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.56 7.81 14 V 7.55 3.65 2.31 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 1.20 0.00 0.00 0.98 0.00 0.00 15 D 8.38 4.41 0.00 2.90 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 16 V 7.91 3.57 2.32 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 1.03 0.00 0.00 1.01 0.00 0.00 17 F 8.11 4.18 0.00 3.19 3.28 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 18 R 8.38 3.61 0.00 1.99 1.93 0.00 3.24 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.07 0.00 19 E 8.08 3.87 0.00 2.14 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 2.30 2.57 0.00 20 D 7.90 4.31 0.00 2.73 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 21 L 7.65 3.75 0.00 1.19 1.46 0.74 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 22 C 7.69 4.02 0.00 2.98 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 23 T 7.90 3.93 4.34 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 1.16 0.00 0.00 24 K 8.29 3.81 0.00 1.79 1.76 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.60 7.81 25 T 7.86 3.79 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 1.10 0.00 0.00 26 E 8.22 3.96 0.00 1.95 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 2.28 2.57 0.00 27 N 8.13 4.31 0.00 2.85 2.83 0.00 0.00 6.94 6.74 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 28 L 7.79 3.77 0.00 1.64 0.96 0.51 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.17 3.80 0.00 1.54 1.64 0.84 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.03 4.69 0.00 3.87 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.39 4.02 0.00 3.14 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.70 4.46 0.00 3.19 3.10 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 0.00 0.00 0.00 34 P 0.00 4.36 0.00 2.20 2.14 0.00 3.76 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 35 K 8.08 3.94 0.00 1.87 1.88 0.00 1.29 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.40 7.81 36 K 8.30 3.82 0.00 1.84 1.75 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.48 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.92 1.28 7.81 37 I 7.84 3.73 2.03 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 1.49 0.85 0.91 0.00 0.00 38 S 7.78 4.16 0.00 3.96 3.90 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 39 E 8.35 3.94 0.00 1.96 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 2.28 2.52 0.00 40 L 8.01 4.15 0.00 1.71 1.76 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.75 4.35 0.00 2.84 2.82 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 42 A 7.89 4.15 1.45 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 0.00 0.00 0.00 43 F 8.37 4.39 0.00 3.05 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 3.87 0.00 1.82 1.65 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.63 4.22 0.00 1.88 1.86 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.72 7.81 46 E 7.47 4.33 0.00 2.42 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 2.37 2.34 0.00 47 P 0.00 4.22 0.00 2.24 2.10 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 48 A 8.27 4.01 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 49 L 7.44 4.57 0.00 1.62 1.49 -0.20 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.01 4.94 0.00 2.72 2.68 0.00 0.00 6.65 7.18 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 51 E 8.08 4.58 0.00 1.90 1.84 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 2.19 2.34 0.00 52 A 8.86 3.97 1.27 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 0.00 0.00 0.00 53 N 7.91 4.70 0.00 2.76 2.78 0.00 0.00 7.10 6.74 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 54 L 8.31 4.30 0.00 1.70 1.69 0.91 0.83 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 55 S 7.89 4.51 0.00 3.85 3.89 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 0.00 0.00 0.00 56 N 7.69 4.61 0.00 2.93 2.87 0.00 0.00 6.87 7.36 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 57 L 7.54 4.06 0.00 1.62 1.94 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.99 3.70 0.00 1.80 1.82 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.46 7.81 59 A 8.28 4.75 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 60 P 0.00 4.39 0.00 2.19 2.07 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 61 L 7.94 4.45 0.00 1.53 1.55 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.32 4.65 0.00 2.65 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 63 I 8.10 4.20 1.87 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 1.27 0.78 0.91 0.00 0.00