NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3299 8.3044 120.3469 55.2463 33.6361 174.3817 2 L 4.3416 8.1960 127.0740 52.5492 45.1934 172.8432 3 L 5.2105 9.2735 129.3982 53.1990 45.4150 174.8080 4 L 4.8096 9.2932 126.1478 52.9052 44.9229 175.4544 5 R 4.9429 8.4203 121.8176 54.8027 32.6369 174.1985 6 I 4.4732 8.7439 127.9998 60.2887 39.3353 174.9131 7 T 5.2702 8.6105 122.9635 62.0447 70.7319 173.2281 8 M 4.7785 9.1662 123.1322 53.0822 35.4574 174.4356 9 L 4.4737 8.0605 119.4913 54.6711 42.2787 177.2268 10 E 4.0498 8.8277 123.3321 57.5849 30.2143 177.2859 11 G 4.0888 8.0161 108.2112 45.6740 0.0000 174.0242 12 R 4.4700 7.5293 117.6461 54.2888 31.9192 177.1212 13 S 4.3346 8.8891 115.9581 58.4404 65.0152 175.5016 14 T 3.8744 8.5062 120.2888 67.0152 68.1799 176.5938 15 E 3.9595 8.0587 118.7592 59.5566 29.8186 178.8897 16 Q 3.9670 8.7429 119.5622 58.5643 28.6276 179.0720 17 K 3.9485 8.1542 119.1761 59.5017 32.1210 179.3351 18 A 4.0363 8.0080 120.9439 54.9777 18.1855 179.5838 19 E 3.8981 8.3388 117.4173 59.5672 29.4835 179.3519 20 L 3.9759 8.0466 118.7799 57.9454 41.8204 179.5575 21 A 4.0406 7.8402 120.4750 54.7902 18.4307 179.7731 22 R 3.8086 8.0120 117.1558 59.5961 30.1470 178.6688 23 A 4.0646 8.4192 121.0367 55.0350 18.4533 179.6332 24 L 3.9651 8.3425 117.9964 58.0219 41.6530 179.9405 25 S 4.1619 8.0877 114.6900 61.2934 62.7618 176.5941 26 A 3.9945 7.9813 122.9701 55.1061 18.3152 179.5552 27 A 3.9973 8.4264 119.3946 55.0264 18.3671 179.7063 28 A 4.2258 8.0253 119.1361 54.8916 18.7779 179.2720 29 A 4.0421 8.1329 119.2329 55.6283 17.0393 179.8174 30 A 3.9458 8.1634 118.6014 55.1851 18.2449 179.8241 31 A 3.9617 7.7580 118.7937 55.3856 18.5750 178.7930 32 F 4.1788 8.4259 111.5093 57.7584 39.7491 174.5307 33 D 4.3760 7.6140 118.6077 55.1110 38.9825 173.8266 34 V 4.4899 7.9542 117.7468 59.8693 35.1961 172.9980 35 P 4.2704 0.0000 0.0000 62.9892 31.6508 176.6474 36 L 3.8706 8.8855 123.2739 58.3361 41.9753 178.7010 37 A 4.1323 7.9232 119.1756 54.0142 18.4470 177.2523 38 E 4.2237 7.9967 115.1948 56.3982 30.1560 175.8434 39 V 4.0898 7.6123 119.2797 63.1722 31.9529 175.3762 40 R 4.6383 8.4758 127.1773 54.8949 32.1691 175.4191 41 L 5.2530 8.3134 123.4341 53.4849 45.5733 175.2754 42 I 4.6430 8.7658 125.7531 59.5760 40.6421 174.2542 43 I 4.8575 8.4573 127.0951 59.7053 39.2961 175.0109 44 Q 4.6864 9.2173 125.1938 54.1839 32.0889 174.3928 45 E 5.2386 8.9014 122.4169 54.7518 32.6735 175.5146 46 V 4.6722 8.6685 121.4464 60.4473 35.4318 173.4192 47 P 4.8297 0.0000 0.0000 61.6747 31.9920 175.5014 48 P 4.4889 0.0000 0.0000 65.9517 31.2211 177.5774 49 T 4.1022 7.9178 112.2542 64.2518 67.5123 174.3132 50 H 4.9053 8.5306 117.5778 54.9856 29.0555 173.9978 51 W 4.6748 8.1549 129.9705 55.7304 32.6049 174.0745 52 T 5.1255 8.0830 115.1935 59.7049 71.2985 173.4370 53 V 4.2901 8.3749 122.1405 62.1715 34.0152 175.9260 54 G 3.6550 9.5950 115.3409 46.6933 0.0000 174.9339 55 G 3.9780 8.5130 107.5108 44.9994 0.0000 174.3094 56 I 4.5586 7.3632 113.6590 58.4116 40.1391 175.5260 57 S 4.7596 8.3634 116.8582 58.3474 63.7079 174.8399 58 M 4.0572 8.8662 122.7163 58.8172 32.1030 178.0872 59 A 3.9905 7.7192 120.5822 54.2389 18.5968 176.4763 60 E 4.3760 8.3516 115.7663 54.7910 28.9418 175.9434 61 L 4.8690 8.1355 123.7722 54.1609 42.2135 176.1396 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 M 8.30 4.33 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 2 L 8.20 4.34 0.00 1.71 1.36 0.84 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.27 5.21 0.00 1.60 1.43 0.90 0.97 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 4 L 9.29 4.81 0.00 1.54 1.49 0.90 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.42 4.94 0.00 1.76 1.78 0.00 3.23 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 6 I 8.74 4.47 1.89 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 1.24 0.60 0.93 0.00 0.00 7 T 8.61 5.27 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 1.41 0.00 0.00 8 M 9.17 4.78 0.00 1.94 1.99 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 2.45 2.50 0.00 9 L 8.06 4.47 0.00 1.33 1.52 0.64 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.83 4.05 0.00 1.91 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 2.34 2.29 0.00 11 G 8.02 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.53 4.47 0.00 1.78 1.95 0.00 3.45 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 13 S 8.89 4.33 0.00 4.12 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 14 T 8.51 3.87 4.23 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 1.21 0.00 0.00 15 E 8.06 3.96 0.00 2.15 2.20 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 2.35 2.33 0.00 16 Q 8.74 3.97 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 17 K 8.15 3.95 0.00 2.02 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.44 7.81 18 A 8.01 4.04 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 19 E 8.34 3.90 0.00 2.20 2.00 0.00 0.00 0.00 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 2.49 0.00 20 L 8.05 3.98 0.00 1.86 1.72 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.84 4.04 1.34 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 0.00 0.00 0.00 22 R 8.01 3.81 0.00 2.00 2.06 0.00 3.09 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 1.63 1.64 0.00 23 A 8.42 4.06 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 24 L 8.34 3.97 0.00 1.80 1.74 0.93 0.76 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 25 S 8.09 4.16 0.00 3.95 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 26 A 7.98 3.99 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 27 A 8.43 4.00 1.42 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 0.00 0.00 0.00 28 A 8.03 4.23 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 29 A 8.13 4.04 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.16 3.95 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 31 A 7.76 3.96 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 32 F 8.43 4.18 0.00 3.08 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 33 D 7.61 4.38 0.00 2.97 2.79 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 34 V 7.95 4.49 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 0.89 0.00 0.00 1.03 0.00 0.00 35 P 0.00 4.27 0.00 2.26 2.20 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 36 L 8.89 3.87 0.00 1.75 1.74 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.92 4.13 1.29 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 38 E 8.00 4.22 0.00 2.03 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 2.26 2.23 0.00 39 V 7.61 4.09 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 0.76 0.00 0.00 0.97 0.00 0.00 40 R 8.48 4.64 0.00 1.85 1.79 0.00 3.26 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 41 L 8.31 5.25 0.00 1.57 1.46 0.92 0.96 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 42 I 8.77 4.64 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 1.22 0.62 0.92 0.00 0.00 43 I 8.46 4.86 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 0.56 0.92 0.00 0.00 44 Q 9.22 4.69 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 45 E 8.90 5.24 0.00 1.84 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 46 V 8.67 4.67 2.41 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 1.33 0.00 0.00 1.06 0.00 0.00 47 P 0.00 4.83 0.00 2.15 2.11 0.00 3.76 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 48 P 0.00 4.49 0.00 2.22 2.24 0.00 3.75 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 49 T 7.92 4.10 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 1.23 0.00 0.00 50 H 8.53 4.91 0.00 3.29 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.15 4.67 0.00 3.52 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 52 T 8.08 5.13 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 1.24 0.00 0.00 53 V 8.37 4.29 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 1.17 0.00 0.00 54 G 9.59 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.51 3.98 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 0.00 0.00 0.00 56 I 7.36 4.56 1.89 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 1.39 1.11 0.92 0.00 0.00 57 S 8.36 4.76 0.00 4.10 4.08 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 0.00 0.00 0.00 0.00 58 M 8.87 4.06 0.00 2.03 2.54 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 3.08 0.00 59 A 7.72 3.99 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 60 E 8.35 4.38 0.00 2.05 1.95 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 2.28 2.28 0.00 61 L 8.14 4.87 0.00 1.59 1.52 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00