NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3385 8.1727 120.1311 57.1662 34.7629 173.3429 2 S 4.6852 8.2260 113.5825 56.9003 65.9629 173.0002 3 C 4.7761 10.0193 123.2327 55.7806 41.4723 171.8996 4 C 5.4661 8.3226 121.1100 54.2600 42.4259 173.3067 5 P 3.8664 0.0000 0.0000 65.6516 31.2650 175.5285 6 N 4.3623 7.5992 113.9998 51.1754 39.1244 174.8026 7 T 3.8535 8.1987 114.1282 67.0997 68.0818 176.7195 8 T 4.0634 8.4291 118.1446 66.4621 68.3932 176.7524 9 G 3.6799 8.2637 107.8739 47.8876 0.0000 175.6466 10 R 3.9522 7.7584 119.4877 58.8972 29.9590 178.2646 11 N 4.2421 8.2400 117.2408 56.6898 38.9969 176.7997 12 I 3.7373 7.6965 121.9670 64.0638 37.3120 177.4589 13 Y 3.8491 8.2617 120.2903 60.8501 38.5008 178.2058 14 N 4.4807 8.4288 117.2738 56.7880 38.1825 177.4615 15 T 3.9646 8.4577 117.4291 66.8107 68.3624 175.6844 16 C 4.2797 8.4604 120.4074 59.4822 42.0578 175.3971 17 R 3.9609 8.5804 119.8442 59.7706 29.6977 179.0514 18 F 4.2483 9.2027 115.2162 59.5160 39.0179 177.5037 19 G 4.2214 6.8343 106.8009 44.7890 0.0000 173.6702 20 G 4.2667 7.8078 111.1966 46.2999 0.0000 174.4716 21 G 4.3079 7.9803 111.0381 44.5754 0.0000 171.5137 22 S 4.3964 8.0866 116.9813 57.1733 64.1745 175.5352 23 R 4.2231 8.6786 113.3859 58.5985 30.7426 178.3583 24 Q 3.9663 7.8690 117.2294 58.9525 28.6787 178.8415 25 V 3.5394 7.6565 118.7084 66.1624 31.5656 178.5447 26 C 3.9218 7.5509 115.5619 59.7629 35.6434 175.9140 27 A 4.0787 8.2131 122.5948 55.3770 17.8383 179.4713 28 S 4.4095 8.2410 111.3609 60.2229 63.0625 175.8527 29 L 4.3170 7.3301 121.2662 56.1586 42.0297 177.9736 30 S 4.7315 8.2906 112.9432 57.4315 63.9760 175.2597 31 G 3.9256 8.4471 109.3998 46.0487 0.0000 172.9178 32 C 4.9709 8.1190 116.6052 56.1856 41.1403 172.4971 33 K 4.5461 8.6954 121.8839 55.0976 33.6320 175.3138 34 I 4.4225 8.4280 128.6942 60.6921 37.3815 174.9163 35 I 4.2336 7.7321 128.1785 59.2131 39.3494 175.3132 36 S 4.6703 8.3102 121.8161 57.8377 62.8675 173.2122 37 A 4.4082 7.3575 120.8255 52.2011 21.4607 177.4148 38 S 4.6436 8.7003 114.9789 59.0160 62.8813 173.7058 39 T 4.7003 7.2907 116.8428 62.2167 71.6268 173.5018 40 C 4.7644 8.0421 119.2757 55.1694 46.3700 172.6698 41 P 4.4140 0.0000 0.0000 62.5102 32.6855 175.1882 42 S 4.4383 8.3046 109.6079 59.5439 62.3999 174.4241 43 D 4.2242 7.4788 114.4185 54.3922 41.3259 175.9765 44 Y 3.5771 7.6929 113.8225 57.3810 36.6969 169.3578 45 P 4.5795 0.0000 0.0000 62.6956 30.7776 177.2934 46 K 4.1958 8.4187 121.7748 57.2466 32.1950 176.9363 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 K 8.17 4.34 0.00 1.81 2.01 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.54 1.42 7.81 2 S 8.23 4.69 0.00 3.68 3.51 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 0.00 0.00 0.00 0.00 3 C 10.02 4.78 0.00 2.79 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.32 5.47 0.00 2.96 3.04 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 0.00 0.00 0.00 5 P 0.00 3.87 0.00 2.02 1.77 0.00 3.90 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 6 N 7.60 4.36 0.00 2.89 2.91 0.00 0.00 6.22 7.19 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 7 T 8.20 3.85 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 1.20 0.00 0.00 8 T 8.43 4.06 4.31 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 1.21 0.00 0.00 9 G 8.26 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.76 3.95 0.00 1.97 2.16 0.00 3.13 0.00 0.00 3.03 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 11 N 8.24 4.24 0.00 2.89 2.80 0.00 0.00 7.04 7.46 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 12 I 7.70 3.74 2.05 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 1.52 0.99 0.95 0.00 0.00 13 Y 8.26 3.85 0.00 3.18 2.95 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 0.00 0.00 0.00 14 N 8.43 4.48 0.00 3.02 2.59 0.00 0.00 7.23 6.57 0.00 0.00 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 T 8.46 3.96 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 1.21 0.00 0.00 16 C 8.46 4.28 0.00 2.93 3.27 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 17 R 8.58 3.96 0.00 2.31 2.24 0.00 3.37 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.11 0.00 18 F 9.20 4.25 0.00 3.03 3.17 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 0.00 0.00 0.00 0.00 19 G 6.83 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 0.00 0.00 0.00 0.00 20 G 7.81 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 0.00 0.00 0.00 0.00 21 G 7.98 4.31 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 0.00 22 S 8.09 4.40 0.00 3.78 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.68 4.22 0.00 1.90 2.04 0.00 3.46 0.00 0.00 3.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 24 Q 7.87 3.97 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 25 V 7.66 3.54 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.91 0.00 0.00 26 C 7.55 3.92 0.00 2.87 1.18 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 0.00 0.00 0.00 0.00 27 A 8.21 4.08 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.24 4.41 0.00 4.02 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 29 L 7.33 4.32 0.00 1.61 1.65 0.91 1.08 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 30 S 8.29 4.73 0.00 4.05 4.13 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 31 G 8.45 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.12 4.97 0.00 3.06 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.70 4.55 0.00 1.88 1.60 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.42 7.81 34 I 8.43 4.42 1.91 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 0.96 0.00 0.00 35 I 7.73 4.23 1.85 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 1.32 0.70 1.00 0.00 0.00 36 S 8.31 4.67 0.00 3.86 3.81 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 37 A 7.36 4.41 1.20 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 0.00 0.00 0.00 0.00 0.00 38 S 8.70 4.64 0.00 3.86 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 39 T 7.29 4.70 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 1.20 0.00 0.00 40 C 8.04 4.76 0.00 2.85 2.85 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 0.00 0.00 0.00 41 P 0.00 4.41 0.00 2.15 2.04 0.00 3.74 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 42 S 8.30 4.44 0.00 3.83 3.85 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 0.00 0.00 0.00 43 D 7.48 4.22 0.00 2.33 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 0.00 0.00 0.00 0.00 44 Y 7.69 3.58 0.00 3.42 2.99 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 0.00 0.00 0.00 45 P 0.00 4.58 0.00 2.19 2.12 0.00 3.78 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 2.00 1.98 0.00 46 K 8.42 4.20 0.00 1.96 1.81 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.51 7.81