NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3711 8.3049 118.1935 54.4331 33.2366 174.9630 2 K 4.2686 7.4539 118.8867 54.2431 34.2668 174.0274 3 K 4.3861 8.5006 120.0161 56.1167 34.1269 176.4778 4 V 4.1198 8.5512 125.5619 63.0054 31.6744 175.8596 5 V 4.3349 8.5198 120.2039 62.0844 33.5611 175.6621 6 A 4.5512 7.2648 119.6486 50.7684 22.3766 175.3947 7 V 4.7461 8.2211 118.7396 59.7673 34.4054 175.0084 8 V 4.2553 8.8941 124.4883 60.8240 34.1498 173.8235 9 K 4.9422 8.7182 129.4101 54.9070 33.5082 174.8168 10 L 4.9345 8.9505 127.2081 52.9172 46.0017 175.4970 11 Q 5.1073 8.5282 118.4960 54.2955 31.6586 175.1848 12 L 4.8752 8.7517 122.7065 52.0114 46.4385 174.2215 13 P 4.8964 0.0000 0.0000 62.1018 32.5426 175.8875 14 A 4.0511 8.9260 128.0614 54.1185 18.5372 178.1664 15 G 3.9704 8.9858 111.0772 45.8126 0.0000 174.1105 16 K 4.5571 8.0402 117.2727 55.7437 33.0279 176.2544 17 A 4.1196 8.5466 122.5678 52.5214 18.6777 177.5770 18 T 4.7562 7.8661 109.6342 59.1073 71.8072 172.3994 19 P 4.3137 0.0000 0.0000 63.8797 31.5052 176.8340 20 A 4.1589 7.7049 122.0582 50.7369 19.0070 175.1521 21 P 4.4472 0.0000 0.0000 62.3785 31.9559 175.5820 22 P 4.3696 0.0000 0.0000 64.6965 32.3622 178.6590 23 V 3.4771 7.9340 119.1988 66.0420 31.3462 177.4353 24 G 3.7946 7.9799 106.8106 46.8509 0.0000 173.7650 25 P 4.2181 0.0000 0.0000 64.9613 31.2398 178.3040 26 A 3.8892 7.7051 119.7599 54.8769 18.6740 179.2514 27 L 4.1198 7.8985 117.4612 57.6037 41.8539 179.8119 28 G 3.6354 8.3845 106.3198 47.6338 0.0000 175.6280 29 Q 3.9972 7.8490 118.6422 58.4866 28.5107 177.3979 30 H 4.8201 7.8280 115.8218 54.8927 29.3561 175.3818 31 G 3.9027 8.1028 108.8938 45.3010 0.0000 174.1474 32 A 4.6038 7.6040 121.4426 51.2214 19.1392 178.0389 33 N 4.5455 8.9586 119.5436 53.3375 39.3534 175.9751 34 I 3.6736 8.2944 129.7060 64.9046 37.3356 178.3163 35 M 4.0933 8.1023 118.8760 58.3190 31.8082 178.5497 36 E 4.0704 8.9020 119.0688 59.3610 29.7043 179.1563 37 F 4.1061 8.3527 120.6946 61.1003 39.3086 177.1025 38 V 3.2795 7.9563 118.0771 66.1066 31.2744 178.1536 39 K 3.9151 8.2625 117.9404 59.3377 31.7913 179.3287 40 A 4.0441 8.1140 121.0653 55.0620 18.2531 179.4013 41 F 3.6296 7.8925 119.4614 61.4475 39.2632 177.1432 42 N 4.2209 8.3805 116.0170 56.0926 38.0508 177.3281 43 A 3.9229 7.9450 121.3553 55.0905 18.6047 179.3712 44 A 4.1251 8.1004 118.2756 54.4010 18.6991 178.1737 45 T 4.3323 7.3217 104.6764 60.6803 70.3895 175.8191 46 A 3.8897 8.2382 126.3380 55.4783 18.3977 178.5623 47 N 4.7885 7.9529 109.8480 54.2629 38.7047 175.5554 48 M 4.2711 8.2459 118.7585 55.0869 33.4621 177.3624 49 G 3.9717 7.1702 106.5950 47.0988 0.0000 173.8727 50 D 4.6660 8.7409 123.4211 54.1971 41.1997 175.8638 51 A 4.3778 7.3409 116.7113 51.4034 19.9917 177.1629 52 I 4.7680 8.2213 120.1871 59.7781 39.1385 175.4046 53 V 4.4484 8.9881 127.6431 60.2997 33.8808 173.0379 54 P 5.1331 0.0000 0.0000 62.7336 32.5506 175.8207 55 V 5.2102 9.0572 123.3061 60.2352 35.4096 173.7534 56 E 5.1404 9.5132 123.4253 54.6667 32.6360 174.7427 57 I 5.0483 8.8502 125.9018 59.8943 39.9203 174.6015 58 T 4.8205 8.9852 124.3211 61.8952 70.7308 173.6342 59 I 4.8662 8.4368 127.1464 59.7345 40.2365 174.6856 60 Y 5.1121 8.6761 123.3179 55.9235 40.5520 176.8930 61 A 4.0008 9.0904 124.2048 55.0854 18.5029 178.3930 62 D 4.6257 8.1681 113.2421 53.4137 39.7904 177.4227 63 R 4.1147 8.5775 118.9697 56.5712 28.5865 176.3648 64 S 4.7808 8.2653 113.9494 58.1329 63.9017 172.6483 65 F 5.8223 7.9186 114.8027 55.8169 40.9133 173.3987 66 T 5.1839 9.3495 109.4541 60.2758 72.3734 172.4770 67 F 5.6920 8.4801 115.7531 55.7436 41.4516 173.6260 68 V 4.5894 9.1098 119.5367 61.4797 34.4258 174.5651 69 T 5.3171 8.8135 117.2980 60.1576 71.4243 173.5898 70 K 4.7240 8.6039 121.5911 55.0024 35.1023 176.0217 71 T 4.3995 8.6716 123.2827 62.4267 69.5075 173.8528 72 P 4.6910 0.0000 0.0000 62.1882 31.9019 170.5515 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 4.37 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 K 7.45 4.27 0.00 1.44 1.77 0.00 1.18 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.29 7.81 3 K 8.50 4.39 0.00 1.77 1.78 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.47 7.81 4 V 8.55 4.12 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 0.67 0.00 0.00 0.95 0.00 0.00 5 V 8.52 4.33 2.05 0.00 0.00 0.00 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 0.97 0.00 0.00 6 A 7.26 4.55 0.83 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 7 V 8.22 4.75 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 0.70 0.00 0.00 0.90 0.00 0.00 8 V 8.89 4.26 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 0.78 0.00 0.00 0.85 0.00 0.00 9 K 8.72 4.94 0.00 1.76 1.66 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.44 7.81 10 L 8.95 4.93 0.00 1.49 1.41 0.67 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.53 5.11 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 12 L 8.75 4.88 0.00 1.16 1.24 0.23 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.90 0.00 2.12 2.01 0.00 3.63 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 2.13 2.11 0.00 14 A 8.93 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.99 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.04 4.56 0.00 1.79 1.80 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.58 7.81 17 A 8.55 4.12 1.15 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 0.00 0.00 18 T 7.87 4.76 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 1.26 0.00 0.00 19 P 0.00 4.31 0.00 2.19 2.12 0.00 3.59 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 2.11 2.08 0.00 20 A 7.70 4.16 1.26 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 0.00 0.00 21 P 0.00 4.45 0.00 2.02 1.97 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 22 P 0.00 4.37 0.00 2.13 2.24 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 23 V 7.93 3.48 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 1.07 0.00 0.00 0.89 0.00 0.00 24 G 7.98 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 25 P 0.00 4.22 0.00 2.22 2.28 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 26 A 7.71 3.89 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 27 L 7.90 4.12 0.00 1.74 1.54 0.40 -0.05 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 28 G 8.38 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 0.00 0.00 0.00 29 Q 7.85 4.00 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.53 1.95 0.00 30 H 7.83 4.82 0.00 3.11 3.34 0.00 5.90 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.10 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 32 A 7.60 4.60 1.24 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 0.00 0.00 0.00 33 N 8.96 4.55 0.00 2.94 3.05 0.00 0.00 7.14 7.98 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 34 I 8.29 3.67 1.88 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 1.59 0.66 0.91 0.00 0.00 35 M 8.10 4.09 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.59 0.00 36 E 8.90 4.07 0.00 2.51 2.33 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 2.56 2.59 0.00 37 F 8.35 4.11 0.00 2.22 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 38 V 7.96 3.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.02 0.00 0.00 39 K 8.26 3.92 0.00 1.86 1.86 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.62 7.81 40 A 8.11 4.04 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.89 3.63 0.00 1.71 2.37 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 42 N 8.38 4.22 0.00 2.81 2.83 0.00 0.00 6.95 8.28 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 43 A 7.95 3.92 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 44 A 8.10 4.13 1.43 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 0.00 0.00 0.00 45 T 7.32 4.33 3.94 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 0.00 0.00 0.52 0.00 0.00 46 A 8.24 3.89 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 47 N 7.95 4.79 0.00 2.68 2.84 0.00 0.00 6.91 7.66 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 48 M 8.25 4.27 0.00 2.06 2.15 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 2.61 2.45 0.00 49 G 7.17 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.74 4.67 0.00 2.65 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 51 A 7.34 4.38 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 52 I 8.22 4.77 1.90 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 1.26 0.95 1.00 0.00 0.00 53 V 8.99 4.45 2.46 0.00 0.00 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 0.99 0.00 0.00 54 P 0.00 5.13 0.00 2.18 2.01 0.00 3.89 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 55 V 9.06 5.21 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.41 0.00 0.00 56 E 9.51 5.14 0.00 1.97 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 2.22 2.29 0.00 57 I 8.85 5.05 1.57 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.40 0.71 0.00 0.00 58 T 8.99 4.82 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 0.75 0.00 0.00 59 I 8.44 4.87 1.72 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.61 1.00 0.00 0.00 60 Y 8.68 5.11 0.00 3.11 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 61 A 9.09 4.00 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 62 D 8.17 4.63 0.00 2.83 2.81 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 0.00 0.00 0.00 63 R 8.58 4.11 0.00 2.14 2.44 0.00 3.16 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 64 S 8.27 4.78 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 65 F 7.92 5.82 0.00 3.17 3.08 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 66 T 9.35 5.18 4.36 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 1.33 0.00 0.00 67 F 8.48 5.69 0.00 3.39 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 68 V 9.11 4.59 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 1.12 0.00 0.00 0.97 0.00 0.00 69 T 8.81 5.32 4.38 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 1.57 0.00 0.00 70 K 8.60 4.72 0.00 1.69 1.76 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.44 7.81 71 T 8.67 4.40 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 1.22 0.00 0.00 72 P 0.00 4.69 0.00 2.03 1.73 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.54 0.00