NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6617 8.3044 120.3285 55.1389 33.5516 174.2141 2 K 4.4256 8.3940 122.9785 53.4364 35.2475 175.0530 3 A 3.9703 9.5114 126.1316 55.6749 18.5149 179.7870 4 K 3.9171 8.0649 116.0881 59.6951 32.0138 179.2513 5 E 3.9908 8.3873 119.0025 59.4133 29.2069 179.3704 6 L 4.0154 7.8054 117.3124 57.9025 41.8214 179.3027 7 R 4.0581 7.8729 117.0796 59.2125 30.0318 178.4459 8 E 4.0610 7.7397 117.9342 58.0970 29.9765 177.6345 9 K 4.1968 6.9648 117.0439 56.2836 32.7818 177.1390 10 S 4.4735 8.7808 116.3585 57.3237 64.5180 175.3928 11 V 3.5836 8.2482 122.6720 66.0678 31.1044 177.5936 12 E 4.0058 8.0907 116.8374 59.4163 29.6079 178.7495 13 E 4.0349 8.0429 119.0671 59.2068 29.4859 179.1462 14 L 4.0375 8.2643 119.2142 57.4449 41.5680 179.3782 15 N 4.3248 7.8330 116.8554 56.6168 38.5439 177.4750 16 T 3.9388 8.4982 114.6929 64.8848 67.0446 176.2429 17 E 3.9576 8.3851 120.9381 59.2907 29.5812 178.8598 18 L 3.9532 8.0778 120.7201 58.0406 41.9592 178.8430 19 L 3.9643 8.3709 120.7680 57.9925 42.0595 178.3642 20 N 4.3077 8.7770 117.8652 56.8094 38.8665 176.8977 21 L 4.1987 9.0797 121.0355 57.0649 41.4057 179.3619 22 L 3.9927 7.6265 120.1568 58.1953 42.2191 178.5018 23 R 4.0150 8.6749 118.4701 59.3065 29.9797 177.6800 24 E 4.1281 8.6809 119.4891 58.9287 30.8832 177.4704 25 Q 4.6527 8.6147 119.4411 54.6481 26.8765 174.7049 26 F 4.7329 8.0677 123.1089 59.6687 47.7595 174.4679 27 N 4.6247 8.1116 115.7616 56.4853 39.7077 176.1539 28 L 3.4705 9.1585 109.7250 58.7219 40.9099 181.6648 29 R 3.5250 7.9260 118.7454 58.0538 26.7479 175.7975 30 M 4.7676 7.5081 113.7984 55.4637 37.5530 177.1255 31 Q 4.0320 8.3662 118.7280 59.0567 28.9921 178.6584 32 A 3.3679 8.0290 118.3799 54.7570 18.4007 178.0766 33 A 4.1557 7.5285 116.6338 53.1371 19.4510 177.4207 34 S 4.2874 9.0462 112.2602 58.9522 59.5889 167.2788 35 G 4.2410 7.4102 109.8851 43.9072 0.0000 170.4510 36 Q 4.3655 8.3722 114.3909 57.4328 31.7001 177.6468 37 L 4.0995 8.0593 115.0115 56.9960 40.3920 176.9236 38 Q 4.0103 7.8238 119.0736 56.4201 28.5660 175.3723 39 Q 4.4894 8.4597 124.2399 54.4577 30.2796 176.0711 40 S 4.0035 8.5021 118.4284 60.7634 63.1719 175.3327 41 H 3.9764 8.1934 120.4680 59.3655 29.5428 176.9466 42 L 4.2413 7.9043 120.4668 57.6264 40.0919 178.5203 43 L 3.9921 7.3747 120.6702 58.1410 41.8380 179.1829 44 K 4.1388 7.6039 118.3236 58.7573 32.1202 178.9499 45 Q 4.0509 7.8242 118.2573 58.9096 28.7109 178.5145 46 V 4.0590 8.6725 121.4163 65.4878 31.5578 178.2180 47 R 4.2153 7.4098 113.8849 58.8115 28.9886 179.1952 48 R 3.9629 7.5744 117.6655 59.0886 30.0968 178.3147 49 D 4.7411 8.2550 118.8672 57.7387 40.7063 179.3806 50 V 3.7087 8.0806 112.2029 63.7536 31.4073 178.3796 51 A 4.0860 7.3863 119.9223 54.4795 19.0796 179.3497 52 R 3.8816 8.8398 118.0019 59.6589 30.2388 179.7151 53 V 3.6718 7.9601 118.6350 64.7016 30.7924 178.2532 54 K 4.0315 7.6238 120.1953 59.1375 31.9842 179.0742 55 T 3.8018 8.1169 110.7235 64.8550 68.9247 176.8839 56 L 4.3874 7.8491 123.5576 56.7322 41.3516 179.3098 57 L 3.9919 7.7380 118.3602 57.8801 41.5989 178.6701 58 N 4.5193 7.5539 115.5660 56.2006 39.1491 176.6785 59 E 4.0995 8.1001 119.9636 58.7780 29.2407 177.1997 60 K 4.2937 7.8804 122.6030 56.5844 32.3778 176.5589 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 4.66 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 2 K 8.39 4.43 0.00 1.75 1.62 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.45 7.81 3 A 9.51 3.97 1.33 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 0.00 0.00 0.00 4 K 8.06 3.92 0.00 1.81 1.88 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.54 7.81 5 E 8.39 3.99 0.00 2.12 1.99 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 2.33 2.35 0.00 6 L 7.81 4.02 0.00 1.75 1.73 0.92 0.96 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 7 R 7.87 4.06 0.00 1.80 2.00 0.00 3.17 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.97 0.00 8 E 7.74 4.06 0.00 1.97 2.15 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 2.32 2.35 0.00 9 K 6.96 4.20 0.00 1.92 1.73 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.65 7.81 10 S 8.78 4.47 0.00 3.94 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.25 3.58 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 1.03 0.00 0.00 0.93 0.00 0.00 12 E 8.09 4.01 0.00 2.23 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 0.00 2.36 2.39 0.00 13 E 8.04 4.03 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 14 L 8.26 4.04 0.00 1.83 1.71 0.92 1.01 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 15 N 7.83 4.32 0.00 2.89 2.85 0.00 0.00 6.54 7.13 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 16 T 8.50 3.94 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 1.29 0.00 0.00 17 E 8.39 3.96 0.00 2.24 1.98 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 2.48 2.46 0.00 18 L 8.08 3.95 0.00 1.84 1.84 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.37 3.96 0.00 1.85 1.84 0.92 0.40 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 20 N 8.78 4.31 0.00 2.87 2.94 0.00 0.00 7.26 5.12 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 21 L 9.08 4.20 0.00 1.75 1.71 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.63 3.99 0.00 1.90 1.84 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.67 4.02 0.00 1.70 2.09 0.00 3.27 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 24 E 8.68 4.13 0.00 2.35 2.10 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 2.33 2.43 0.00 25 Q 8.61 4.65 0.00 2.37 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.30 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 26 F 8.07 4.73 0.00 3.00 3.13 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 27 N 8.11 4.62 0.00 2.87 2.98 0.00 0.00 7.13 7.73 0.00 0.00 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 9.16 3.47 0.00 1.63 1.49 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.93 3.52 0.00 1.66 1.94 0.00 3.03 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 30 M 7.51 4.77 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.55 0.00 31 Q 8.37 4.03 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.64 2.36 0.00 32 A 8.03 3.37 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 33 A 7.53 4.16 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.05 4.29 0.00 3.84 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 0.00 35 G 7.41 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 0.00 0.00 0.00 0.00 36 Q 8.37 4.37 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 37 L 8.06 4.10 0.00 1.73 1.81 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.82 4.01 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.70 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 39 Q 8.46 4.49 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 40 S 8.50 4.00 0.00 3.90 3.84 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 0.00 0.00 0.00 41 H 8.19 3.98 0.00 3.42 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.90 4.24 0.00 1.91 1.95 0.93 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.37 3.99 0.00 1.86 1.78 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.60 4.14 0.00 1.63 1.77 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 45 Q 7.82 4.05 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.55 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 46 V 8.67 4.06 2.14 0.00 0.00 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 0.00 0.00 1.01 0.00 0.00 47 R 7.41 4.22 0.00 2.13 2.18 0.00 3.09 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 48 R 7.57 3.96 0.00 2.24 2.01 0.00 3.18 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 49 D 8.25 4.74 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.08 3.71 2.09 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 0.95 0.00 0.00 1.05 0.00 0.00 51 A 7.39 4.09 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 52 R 8.84 3.88 0.00 1.86 2.01 0.00 3.14 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 53 V 7.96 3.67 2.09 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 0.88 0.00 0.00 0.97 0.00 0.00 54 K 7.62 4.03 0.00 2.22 1.98 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.49 7.81 55 T 8.12 3.80 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 1.29 0.00 0.00 56 L 7.85 4.39 0.00 1.78 1.76 1.08 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.74 3.99 0.00 1.82 1.75 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.55 4.52 0.00 2.52 2.97 0.00 0.00 7.26 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.10 4.10 0.00 2.25 1.99 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 2.33 2.57 0.00 60 K 7.88 4.29 0.00 1.90 1.72 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.74 1.59 7.81