NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3613 8.3044 120.3488 55.4752 32.8439 175.3581 2 K 4.1618 8.1440 129.5669 52.7586 30.9628 171.4969 3 V 3.6752 8.1795 125.0779 64.0687 32.1903 177.5326 4 K 3.8386 8.1075 119.9128 59.6328 31.9362 178.3549 5 Q 3.9914 7.8860 117.8147 58.9869 28.5749 178.8170 6 L 3.9390 7.8637 120.5069 57.9900 42.2518 178.5688 7 A 3.9800 8.3096 121.1038 55.2913 18.3318 179.2972 8 D 4.2945 8.5400 117.5682 57.4894 40.8340 178.9591 9 A 3.9991 8.0243 121.2684 55.1823 18.3189 179.8883 10 V 3.5311 8.0890 116.9958 66.0870 31.5623 178.0915 11 E 4.0062 8.4011 118.4893 59.4842 29.2908 179.1949 12 E 4.0004 8.3585 118.6384 59.2285 29.4430 179.1759 13 L 3.9310 8.2341 120.3622 57.9849 42.1047 178.7477 14 A 3.8401 8.3242 121.1543 55.2543 18.3162 179.4840 15 S 4.2421 8.3373 111.3324 61.6455 62.4080 176.2622 16 A 4.0830 8.2115 123.4279 55.3578 18.0458 179.3934 17 N 4.3485 8.3826 115.0733 56.3804 38.6001 177.3485 18 Y 4.1964 8.1702 118.5995 61.2913 37.9340 178.0624 19 H 4.3193 8.4461 119.2966 59.0726 29.9042 177.0800 20 L 3.8693 8.3902 122.4119 58.0634 41.8884 178.6932 21 A 3.9842 8.3535 121.1035 55.2988 18.3219 179.1304 22 N 4.2476 8.3569 115.2422 56.7272 38.9795 176.9756 23 A 3.9815 8.1191 122.2268 55.1810 18.3967 179.8105 24 V 3.5029 8.1885 116.9407 66.0219 31.6056 178.1082 25 A 3.9971 8.2543 120.7047 55.2090 18.1927 179.8456 26 R 3.8910 8.1616 116.6341 59.2450 30.0527 179.0244 27 L 3.9313 8.2043 120.0836 57.9959 42.1006 178.7594 28 A 3.9652 8.3094 121.1057 55.1121 18.0863 179.5407 29 K 3.8740 7.9294 116.6267 59.5789 32.3676 178.5796 30 A 4.1245 7.9043 119.9678 55.1756 18.3783 179.4850 31 V 3.7696 7.9116 116.0902 65.8265 31.7105 176.7363 32 G 3.8701 8.0072 108.8538 44.9672 0.0000 173.1644 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 4.36 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 8.14 4.16 0.00 1.90 1.68 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 3 V 8.18 3.68 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 0.87 0.00 0.00 0.93 0.00 0.00 4 K 8.11 3.84 0.00 1.89 1.86 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.61 7.81 5 Q 7.89 3.99 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 6 L 7.86 3.94 0.00 1.75 1.78 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.31 3.98 1.32 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 0.00 0.00 8 D 8.54 4.29 0.00 2.88 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 9 A 8.02 4.00 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 10 V 8.09 3.53 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 1.10 0.00 0.00 0.95 0.00 0.00 11 E 8.40 4.01 0.00 2.22 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 2.51 2.51 0.00 12 E 8.36 4.00 0.00 2.17 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 2.57 2.47 0.00 13 L 8.23 3.93 0.00 1.74 1.81 0.97 0.95 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 14 A 8.32 3.84 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 15 S 8.34 4.24 0.00 3.99 4.10 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 16 A 8.21 4.08 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 17 N 8.38 4.35 0.00 2.67 2.75 0.00 0.00 7.03 7.24 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 18 Y 8.17 4.20 0.00 3.17 2.92 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 0.00 0.00 0.00 19 H 8.45 4.32 0.00 3.37 3.57 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.39 3.87 0.00 1.83 1.80 0.89 1.06 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 21 A 8.35 3.98 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.36 4.25 0.00 2.92 3.02 0.00 0.00 7.13 7.35 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 23 A 8.12 3.98 1.32 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 0.00 0.00 24 V 8.19 3.50 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 1.09 0.00 0.00 0.96 0.00 0.00 25 A 8.25 4.00 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 26 R 8.16 3.89 0.00 2.07 1.99 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 27 L 8.20 3.93 0.00 1.75 1.83 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.31 3.97 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 29 K 7.93 3.87 0.00 1.78 2.03 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 30 A 7.90 4.12 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 31 V 7.91 3.77 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 0.98 0.00 0.00 32 G 8.01 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00