NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3122 8.3044 120.3498 54.6583 33.3476 174.5344 2 K 3.5584 8.7833 126.9870 56.8431 32.2418 174.6326 3 R 4.6108 8.1182 125.6394 54.5789 33.0302 176.2778 4 T 3.9057 8.3484 109.2668 64.2230 69.0028 174.3665 5 F 4.4870 8.1342 124.0179 57.1608 38.5479 174.4146 6 Q 4.2033 7.9355 128.0499 52.9793 29.6982 174.3327 7 P 3.6612 0.0000 0.0000 62.3962 32.4217 176.6761 8 S 4.3357 7.9470 108.7265 56.4857 65.2100 177.0344 9 V 3.6201 8.1251 130.6827 64.7924 31.3266 177.7417 10 L 3.9109 7.9345 120.8098 58.0107 41.9135 179.1360 11 K 4.0635 8.1085 118.0601 59.0398 31.8954 179.2562 12 R 3.9217 8.5617 119.6902 59.7619 30.0463 178.3672 13 N 4.4335 8.7737 116.4734 56.3872 38.3003 177.7391 14 R 3.9759 7.6641 118.4638 58.8921 30.1861 179.0332 15 S 4.2272 7.6808 113.9768 61.2577 63.1403 174.9371 16 H 4.8439 7.9177 114.2192 54.9071 30.4701 174.2669 17 G 3.9956 7.9893 109.6838 45.4163 0.0000 174.4309 18 F 4.0161 8.9963 120.1775 61.5352 39.1058 177.3642 19 R 3.7093 8.1965 115.4080 59.1406 29.9571 178.5596 20 A 4.0961 7.8206 119.3405 55.0188 18.8150 179.1454 21 R 3.9093 8.0483 117.3804 59.6782 30.0301 178.0216 22 M 3.9439 8.2282 115.8119 56.8539 32.1707 176.5833 23 A 4.4659 7.4985 118.7865 52.3921 20.3241 176.5528 24 T 4.4546 7.0706 110.5930 59.1474 70.5801 173.7369 25 K 3.8207 8.9387 128.8226 60.1358 32.0230 178.5752 26 N 4.4726 8.1040 115.8334 56.1226 38.8042 177.6138 27 G 3.6679 8.0293 106.4953 47.7785 0.0000 175.7458 28 R 3.9375 8.1283 120.3284 59.1373 30.0562 179.0047 29 Q 4.0351 7.7975 118.1496 58.5698 28.4763 178.8855 30 V 3.5552 7.6135 119.5359 66.0990 31.6172 178.1295 31 L 3.9809 7.8800 118.3995 57.6974 41.3447 179.3861 32 A 4.0277 7.9439 120.8485 55.0674 18.2151 179.9868 33 R 3.8932 8.0205 116.6720 59.4899 30.2502 179.4548 34 R 3.9664 7.7936 118.0246 59.0435 30.0517 179.2392 35 R 3.8996 8.1986 117.8377 59.1086 29.8517 178.7895 36 A 4.0019 7.8166 119.3174 55.1246 18.5959 179.2162 37 K 4.1605 8.4711 114.8606 56.4702 32.3086 176.6840 38 G 3.9170 7.9873 105.7362 46.8593 0.0000 174.2798 39 R 3.9325 8.4073 118.9640 56.3561 30.6430 176.0244 40 A 4.3379 8.5291 125.7009 53.4907 19.5879 177.8789 41 R 4.4835 7.4833 115.0342 53.3903 29.7396 174.9908 42 L 4.2423 8.3476 123.8964 57.6922 44.0467 177.4950 43 T 4.7908 7.7666 102.2842 61.2680 68.3211 176.4276 44 V 4.2516 8.8835 110.9878 62.1469 34.8523 170.9100 45 S 4.5087 8.1974 119.9884 57.8651 64.9884 174.6456 46 K 4.0663 8.7619 121.2030 57.4290 31.8548 177.3624 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 4.31 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 -0.26 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 8.78 3.56 0.00 1.83 1.75 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.52 7.81 3 R 8.12 4.61 0.00 1.86 1.89 0.00 3.45 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 4 T 8.35 3.91 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 1.24 0.00 0.00 5 F 8.13 4.49 0.00 2.98 3.09 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 6 Q 7.94 4.20 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 7 P 0.00 3.66 0.00 2.09 1.86 0.00 3.53 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 8 S 7.95 4.34 0.00 3.79 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 9 V 8.13 3.62 2.11 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 0.86 0.00 0.00 0.98 0.00 0.00 10 L 7.93 3.91 0.00 1.78 1.71 0.93 0.43 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 11 K 8.11 4.06 0.00 1.85 1.83 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.43 7.81 12 R 8.56 3.92 0.00 1.94 2.20 0.00 3.19 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 13 N 8.77 4.43 0.00 2.78 2.89 0.00 0.00 7.17 7.70 0.00 0.00 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 R 7.66 3.98 0.00 1.83 1.98 0.00 3.16 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 15 S 7.68 4.23 0.00 3.78 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.92 4.84 0.00 3.12 3.29 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.00 4.02 0.00 3.09 3.09 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 19 R 8.20 3.71 0.00 1.87 2.04 0.00 3.34 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 20 A 7.82 4.10 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 21 R 8.05 3.91 0.00 2.03 1.77 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 22 M 8.23 3.94 0.00 1.84 1.46 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.14 0.00 23 A 7.50 4.47 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 T 7.07 4.45 4.22 0.00 0.00 0.00 0.00 0.00 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 25 K 8.94 3.82 0.00 1.88 1.82 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.62 7.81 26 N 8.10 4.47 0.00 2.79 2.82 0.00 0.00 6.98 7.61 0.00 0.00 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 G 8.03 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 3.94 0.00 2.13 1.94 0.00 3.09 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 29 Q 7.80 4.04 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 30 V 7.61 3.56 2.25 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 1.02 0.00 0.00 0.95 0.00 0.00 31 L 7.88 3.98 0.00 1.85 1.70 0.55 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.94 4.03 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 33 R 8.02 3.89 0.00 2.01 1.98 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 34 R 7.79 3.97 0.00 1.82 1.98 0.00 3.13 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.97 0.00 35 R 8.20 3.90 0.00 2.05 2.00 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 36 A 7.82 4.00 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 37 K 8.47 4.16 0.00 1.72 1.84 0.00 1.94 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 38 G 7.99 3.92 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 0.00 0.00 0.00 39 R 8.41 3.93 0.00 1.82 1.87 0.00 3.30 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 40 A 8.53 4.34 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.48 4.48 0.00 1.79 1.88 0.00 3.26 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 42 L 8.35 4.24 0.00 1.66 1.86 0.96 1.02 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 43 T 7.77 4.79 4.34 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 1.31 0.00 0.00 44 V 8.88 4.25 2.13 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 0.78 0.00 0.00 0.97 0.00 0.00 45 S 8.20 4.51 0.00 3.96 3.83 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 46 K 8.76 4.07 0.00 1.73 1.73 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81