NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4075 8.3344 116.7943 58.5728 64.5523 172.9516 2 E 4.4981 8.1770 119.5032 54.2086 31.9321 174.0330 3 D 4.7527 7.8292 124.2487 51.9938 40.8318 174.0074 4 C 5.0968 7.5974 114.9994 54.6070 45.6270 173.5413 5 I 4.3011 8.3813 122.5094 60.2543 38.0198 175.0635 6 P 4.8426 0.0000 0.0000 62.0050 33.1007 174.9891 7 K 3.8729 8.3912 121.2844 57.0138 32.3766 176.8378 8 W 3.8348 8.8922 128.1543 57.4744 26.0622 173.5407 9 K 4.4891 8.3114 118.0151 54.6594 34.1757 176.3287 10 G 4.3384 8.8857 107.2705 46.0893 0.0000 172.7400 11 C 5.1596 9.4835 122.6204 54.7672 41.9117 176.5962 12 V 3.6277 7.9574 113.7021 65.3509 31.6383 177.8132 13 N 5.1097 7.7230 114.4967 53.3420 40.9712 175.5970 14 R 4.7286 7.5988 116.2868 55.2972 31.0726 174.5537 15 H 4.3252 8.5918 118.4272 58.7541 29.8417 177.8659 16 G 4.0765 7.8195 106.9047 45.6049 0.0000 173.4093 17 D 4.8764 7.6787 113.9569 53.7748 44.6653 177.4448 18 C 4.9454 8.2752 116.5279 56.5703 37.8820 174.2493 19 C 4.3744 8.8589 120.4067 56.7492 41.4880 173.1160 20 E 4.0671 8.5977 121.1499 58.2887 29.5150 177.0101 21 G 3.9521 9.3028 113.8722 44.9842 0.0000 171.9523 22 L 5.3543 7.3927 118.4836 52.8883 44.7786 175.8274 23 E 4.7554 9.2492 117.9230 55.1318 33.1658 173.7455 24 C 4.8552 9.0098 124.6414 56.4829 40.1050 172.2570 25 W 5.2476 9.1124 135.0000 55.3543 33.6604 174.3234 26 K 4.3988 7.6801 125.8167 55.9786 33.4055 176.1693 27 R 4.7185 8.0588 119.1825 54.5718 33.6001 175.3786 28 R 4.2625 8.4929 119.0710 57.4658 30.8405 177.4577 29 R 4.3480 7.9073 115.2807 56.7441 31.0732 175.9761 30 S 4.6015 7.4734 110.1385 55.5923 66.1747 173.4399 31 F 4.4719 7.7280 115.7960 56.3163 38.5687 174.8310 32 E 4.3924 8.7830 121.0693 57.3783 30.4754 176.5637 33 V 4.9737 8.6641 115.4908 59.8656 37.0669 174.0088 34 C 4.8428 9.0897 120.9037 57.5384 36.8006 173.1591 35 V 4.8961 8.9150 118.6322 59.2503 33.4885 174.1608 36 P 4.6130 0.0000 0.0000 62.5273 31.8900 176.2991 37 K 4.5240 8.9120 124.0418 56.1722 32.4952 177.2469 38 T 4.2539 8.3705 114.6073 59.8824 70.0739 172.4479 39 P 4.4189 0.0000 0.0000 62.5919 32.1440 175.6919 40 K 4.4243 8.3611 117.9325 55.2362 32.8722 176.9162 41 T 4.1883 8.4000 119.8812 63.5748 68.7440 174.5380 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 S 8.33 4.41 0.00 3.87 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.18 4.50 0.00 1.95 1.79 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 2.18 2.45 0.00 3 D 7.83 4.75 0.00 2.69 2.61 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 0.00 0.00 0.00 0.00 4 C 7.60 5.10 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.38 4.30 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.80 0.96 0.00 0.00 6 P 0.00 4.84 0.00 2.04 2.08 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 7 K 8.39 3.87 0.00 1.35 1.22 0.00 0.90 0.00 0.00 1.10 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.74 7.81 8 W 8.89 3.83 0.00 3.63 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 9 K 8.31 4.49 0.00 1.71 1.84 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.51 7.81 10 G 8.89 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 0.00 0.00 0.00 0.00 11 C 9.48 5.16 0.00 3.10 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 12 V 7.96 3.63 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 0.83 0.00 0.00 0.90 0.00 0.00 13 N 7.72 5.11 0.00 2.75 2.75 0.00 0.00 6.74 7.54 0.00 0.00 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 7.60 4.73 0.00 1.77 1.97 0.00 3.22 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 15 H 8.59 4.33 0.00 3.11 3.40 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 16 G 7.82 4.08 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 0.00 0.00 0.00 17 D 7.68 4.88 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.28 4.95 0.00 2.88 3.03 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 19 C 8.86 4.37 0.00 2.86 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 20 E 8.60 4.07 0.00 1.92 1.87 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 2.28 2.32 0.00 21 G 9.30 3.95 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 0.00 0.00 0.00 22 L 7.39 5.35 0.00 1.65 1.57 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 23 E 9.25 4.76 0.00 2.03 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 0.00 2.30 2.39 0.00 24 C 9.01 4.86 0.00 3.14 3.03 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 25 W 9.11 5.25 0.00 3.51 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.68 4.40 0.00 1.71 1.70 0.00 1.31 0.00 0.00 1.36 0.00 0.00 2.72 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.50 1.01 7.81 27 R 8.06 4.72 0.00 1.89 1.87 0.00 3.39 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 28 R 8.49 4.26 0.00 1.73 1.94 0.00 3.25 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 29 R 7.91 4.35 0.00 1.79 1.91 0.00 3.34 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 30 S 7.47 4.60 0.00 3.33 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.73 4.47 0.00 3.14 3.14 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 0.00 0.00 0.00 0.00 32 E 8.78 4.39 0.00 2.13 1.92 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 2.40 2.40 0.00 33 V 8.66 4.97 2.34 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 1.01 0.00 0.00 1.03 0.00 0.00 34 C 9.09 4.84 0.00 3.08 3.11 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 0.00 0.00 0.00 0.00 35 V 8.92 4.90 2.24 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 1.02 0.00 0.00 1.07 0.00 0.00 36 P 0.00 4.61 0.00 2.01 1.89 0.00 4.02 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.86 0.00 37 K 8.91 4.52 0.00 1.73 1.79 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.20 7.81 38 T 8.37 4.25 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 1.16 0.00 0.00 39 P 0.00 4.42 0.00 2.19 2.10 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 40 K 8.36 4.42 0.00 1.74 1.78 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.37 7.81 41 T 8.40 4.19 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 1.21 0.00 0.00