NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4059 8.3193 115.2898 58.2328 62.6040 172.4727 3 I 4.5010 7.9723 120.2652 57.1335 40.4145 174.0306 4 S 4.3578 8.8775 116.1201 58.5703 64.6094 175.5856 5 A 3.9372 8.0311 123.4886 52.8382 18.3734 177.8374 6 R 3.9348 8.7118 121.4018 58.4548 30.7234 176.2419 7 N 4.8493 8.0304 115.7569 51.7464 40.0267 174.4465 8 Q 4.7735 8.5049 122.5633 54.1542 32.5738 174.9436 9 L 4.6689 8.9790 125.2045 52.5977 44.3109 176.2677 10 K 4.5773 8.7456 124.2004 56.5508 33.1710 176.7728 11 G 4.1261 9.1096 110.4982 45.6898 0.0000 171.1382 12 K 5.1328 8.5352 120.7633 54.0608 34.9546 175.5281 13 V 4.1899 8.9179 128.2585 63.5127 32.0165 176.3688 14 V 4.3928 9.1513 120.5426 61.2011 33.3877 175.9934 15 G 4.2891 7.7722 107.1517 44.9556 0.0000 172.1231 16 L 5.1498 8.2940 124.8155 53.4701 45.3458 174.6624 17 K 4.5371 9.2175 127.6080 54.6551 35.1144 174.7378 18 K 4.6091 8.8617 127.3088 55.4502 33.3740 176.9652 19 G 4.2889 8.5301 115.2336 44.5032 0.0000 172.8341 20 V 3.8712 8.4213 117.6736 64.5467 32.2906 177.8429 21 V 4.3811 7.7856 118.4528 63.3247 34.2841 175.0285 22 T 5.3931 7.7480 108.4603 59.8123 72.8983 172.4613 23 A 5.0317 9.0205 121.6896 50.4843 23.1921 174.6606 24 E 5.0299 9.2757 122.2498 54.5001 31.9317 174.7672 25 V 4.7580 8.9340 127.3633 61.0396 34.5619 174.0737 26 V 4.8391 8.8837 128.0911 61.1138 34.0012 173.9890 27 L 5.1845 9.0996 127.9872 52.9200 44.8860 174.9761 28 E 4.8815 9.2309 125.3697 55.2028 31.1228 175.6473 29 I 4.7194 8.6251 121.5166 58.6654 40.9636 174.6771 30 A 4.0724 8.4589 124.4956 54.2519 18.3806 176.8719 31 G 4.0736 8.3493 110.3359 44.9510 0.0000 174.0312 32 G 3.9929 8.2977 106.3936 45.3309 0.0000 173.8960 33 N 4.2412 8.2092 116.9046 53.7287 39.6721 173.8430 34 K 5.0876 8.5845 120.9483 54.8596 34.7962 175.6381 35 I 4.5735 8.8522 124.5166 59.8170 40.2136 174.5215 36 T 5.0708 8.5819 123.0037 61.8016 70.8923 173.6458 37 S 4.7281 9.2587 120.3636 56.4551 66.1148 172.5723 38 I 5.0673 8.4965 126.9365 59.6972 39.1090 174.5136 39 I 4.7876 8.3909 120.3960 58.3265 41.4406 175.1429 40 S 4.6797 8.4266 116.1124 57.7845 63.8899 175.0499 41 L 3.9481 8.6734 124.3384 58.4914 41.6518 179.2048 42 D 4.3972 8.1136 118.4518 57.5741 40.7185 178.8649 43 S 4.1354 7.9499 115.2816 61.3026 62.7929 176.6937 44 V 3.5966 7.5637 121.2228 66.0938 31.0829 178.0631 45 E 3.9578 8.1005 117.9661 59.5672 29.1551 179.2356 46 E 3.9936 8.2910 117.6643 59.1143 29.6602 178.6950 47 L 4.3293 8.3526 116.8542 54.0386 42.3103 176.7866 48 G 3.8989 7.6734 107.1047 46.2249 0.0000 174.5157 49 V 3.7245 7.8193 119.5855 62.3082 32.3323 175.0032 50 K 4.5682 8.2280 124.3604 55.0321 35.3051 174.6024 51 E 4.0970 8.5937 120.7282 58.1677 29.6722 177.1829 52 G 3.9536 8.9559 115.1817 44.9390 0.0000 173.6208 53 A 4.1543 7.8790 122.0136 52.1235 19.7587 176.5119 54 E 4.9105 8.6589 120.6443 55.3397 30.6789 175.3982 55 L 4.9659 8.8570 123.8699 53.3301 46.9892 175.3425 56 T 5.0970 8.3466 115.1109 61.9047 71.5127 173.9530 57 A 4.4933 9.0177 128.4998 51.1885 20.4356 176.3077 58 V 5.2812 8.2331 120.7215 60.0170 34.6368 174.9251 59 V 4.4777 8.2075 126.0766 60.7514 34.5542 174.7878 60 K 4.1402 8.7412 129.1592 56.0585 33.1370 177.6576 61 S 4.1151 8.7894 120.5640 61.6156 62.9825 176.0942 62 T 4.0900 7.8601 108.8029 63.1874 68.6295 174.2590 63 D 4.5506 8.0545 121.5194 54.2673 41.3391 176.3669 64 V 4.0104 7.4200 120.3469 61.4196 31.2839 175.1820 65 M 4.3402 8.3558 127.1348 55.0041 33.0266 175.1519 66 I 4.5096 8.1314 123.7407 59.4586 39.7629 175.0347 67 L 4.8025 8.1884 123.4241 52.0643 45.3405 176.3650 68 A 4.1639 8.5637 121.3188 52.8697 18.2280 177.6128 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 4.41 0.00 3.85 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 3 I 7.97 4.50 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 1.47 0.97 0.91 0.00 0.00 4 S 8.88 4.36 0.00 3.99 4.02 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 0.00 0.00 0.00 5 A 8.03 3.94 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 6 R 8.71 3.93 0.00 1.81 2.01 0.00 3.35 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 7 N 8.03 4.85 0.00 2.83 2.76 0.00 0.00 6.90 7.33 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 8 Q 8.50 4.77 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.53 0.00 9 L 8.98 4.67 0.00 1.53 1.56 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.75 4.58 0.00 1.64 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 11 G 9.11 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 0.00 0.00 0.00 0.00 12 K 8.54 5.13 0.00 1.83 1.63 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.48 7.81 13 V 8.92 4.19 2.28 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 1.01 0.00 0.00 0.99 0.00 0.00 14 V 9.15 4.39 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 0.72 0.00 0.00 1.00 0.00 0.00 15 G 7.77 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 16 L 8.29 5.15 0.00 1.59 1.51 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.22 4.54 0.00 1.81 1.60 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.38 7.81 18 K 8.86 4.61 0.00 1.67 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.43 7.81 19 G 8.53 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 20 V 8.42 3.87 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 0.80 0.00 0.00 0.93 0.00 0.00 21 V 7.79 4.38 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 1.06 0.00 0.00 0.93 0.00 0.00 22 T 7.75 5.39 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 23 A 9.02 5.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 9.28 5.03 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 25 V 8.93 4.76 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 0.93 0.00 0.00 0.93 0.00 0.00 26 V 8.88 4.84 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 0.73 0.00 0.00 0.93 0.00 0.00 27 L 9.10 5.18 0.00 1.56 1.52 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.23 4.88 0.00 2.01 1.82 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 2.25 2.39 0.00 29 I 8.63 4.72 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 1.35 0.50 0.95 0.00 0.00 30 A 8.46 4.07 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 31 G 8.35 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.30 3.99 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 0.00 0.00 0.00 33 N 8.21 4.24 0.00 2.65 2.80 0.00 0.00 7.04 7.68 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 34 K 8.58 5.09 0.00 1.62 1.71 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.44 7.81 35 I 8.85 4.57 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 1.23 0.94 0.91 0.00 0.00 36 T 8.58 5.07 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 37 S 9.26 4.73 0.00 3.81 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.50 5.07 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 1.40 0.79 0.91 0.00 0.00 39 I 8.39 4.79 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 1.28 1.26 0.91 0.00 0.00 40 S 8.43 4.68 0.00 4.02 4.03 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 41 L 8.67 3.95 0.00 1.76 1.71 0.92 1.66 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 42 D 8.11 4.40 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.95 4.14 0.00 4.06 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 44 V 7.56 3.60 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 0.98 0.00 0.00 45 E 8.10 3.96 0.00 2.23 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 2.33 2.54 0.00 46 E 8.29 3.99 0.00 1.91 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 2.34 2.61 0.00 47 L 8.35 4.33 0.00 1.64 1.71 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.67 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 0.00 0.00 0.00 49 V 7.82 3.72 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 0.81 0.00 0.00 0.93 0.00 0.00 50 K 8.23 4.57 0.00 1.92 1.84 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.42 7.81 51 E 8.59 4.10 0.00 1.94 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 2.30 2.33 0.00 52 G 8.96 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 0.00 0.00 0.00 53 A 7.88 4.15 1.31 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 54 E 8.66 4.91 0.00 1.86 1.91 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 2.25 2.33 0.00 55 L 8.86 4.97 0.00 1.54 1.52 0.92 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.35 5.10 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 1.24 0.00 0.00 57 A 9.02 4.49 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 58 V 8.23 5.28 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 1.16 0.00 0.00 0.93 0.00 0.00 59 V 8.21 4.48 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 0.84 0.00 0.00 0.93 0.00 0.00 60 K 8.74 4.14 0.00 1.83 1.80 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.43 7.81 61 S 8.79 4.12 0.00 4.04 4.11 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 62 T 7.86 4.09 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 63 D 8.05 4.55 0.00 2.84 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 64 V 7.42 4.01 2.17 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 0.73 0.00 0.00 0.98 0.00 0.00 65 M 8.36 4.34 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 66 I 8.13 4.51 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 1.41 1.07 0.91 0.00 0.00 67 L 8.19 4.80 0.00 1.58 1.54 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.56 4.16 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