NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9621 8.3393 109.7356 45.6447 0.0000 173.2286 2 S 4.5092 7.8782 120.4843 54.7774 67.5783 173.1752 3 I 3.6715 8.4514 123.1407 64.5925 37.2715 179.7337 4 I 3.6968 7.6811 118.8843 64.2284 37.8248 177.5791 5 N 4.3935 8.0949 116.9918 56.3524 38.2865 177.3555 6 E 3.9704 8.6190 120.4556 59.4681 29.3913 179.5975 7 T 3.8575 8.0685 115.7884 66.4305 68.4480 176.6207 8 A 3.9868 8.0197 122.6627 55.3870 18.3898 179.3390 9 D 4.3276 8.3570 117.6410 57.4712 40.7657 178.6505 10 D 4.3666 8.2750 118.5619 57.4571 41.3188 178.3088 11 I 3.7014 8.0113 120.5188 64.4441 37.1646 178.6135 12 V 3.5897 8.1060 119.2846 66.0465 31.3463 177.3696 13 Y 4.0378 8.4205 119.5658 60.8845 38.5928 178.2194 14 R 3.7517 8.3151 119.1266 59.3563 30.1749 179.1646 15 L 4.0480 7.9946 118.5458 57.7711 41.4955 179.6514 16 T 3.8750 7.8748 116.0913 66.3172 68.3053 176.8584 17 V 3.4180 7.4200 120.2526 65.8933 31.5443 178.1805 18 I 3.6667 7.3945 119.2702 64.4858 36.9321 178.4223 19 I 3.7261 8.0669 120.9659 64.5415 36.8507 178.2371 20 D 4.4326 8.4218 119.9648 57.4544 40.6459 178.5812 21 D 4.3661 8.1951 119.2640 57.6342 40.8811 179.2062 22 R 3.9582 8.1208 118.4737 59.1172 29.9444 178.4901 23 Y 4.0946 8.2702 119.5483 60.9187 38.7936 178.0523 24 E 3.6008 8.5180 119.7362 59.3505 29.5179 179.6625 25 S 4.0437 7.9815 115.1650 61.5846 62.8288 176.7737 26 L 3.9461 7.9288 121.7057 57.4056 41.3345 179.3636 27 K 3.7098 7.9897 119.9977 59.6628 32.0000 178.6173 28 N 4.2874 8.1836 116.8398 56.0697 38.3128 177.2544 29 L 3.9074 7.9691 121.7595 58.1636 42.1323 179.0643 30 I 3.6742 7.9840 120.0784 64.6954 36.9596 178.5676 31 T 3.8239 7.9563 116.5169 66.4099 68.2831 176.4675 32 L 3.9087 8.1667 122.4888 58.3989 42.2098 179.3432 33 R 3.9359 8.3153 118.0796 59.0678 29.9588 178.9820 34 A 4.0145 8.3301 121.0139 55.1543 18.3899 179.3865 35 D 4.3182 8.3461 117.6370 57.5860 40.8028 179.2544 36 R 3.9382 8.1024 118.4943 59.2635 29.9822 179.1287 37 L 3.9875 8.0173 118.7335 57.7934 41.6089 179.4451 38 E 3.9557 8.2603 118.5222 59.6343 29.3935 179.3220 39 M 4.0640 8.0882 118.6558 58.5155 32.0067 178.9471 40 I 3.7570 8.0665 120.2257 64.3169 37.1704 178.6476 41 I 3.6966 8.0458 120.9057 64.3638 36.9399 178.0848 42 N 4.2971 8.5696 117.6332 56.4983 38.3936 176.9193 43 D 4.3678 8.4478 120.3604 57.7200 40.9218 178.7961 44 N 4.3165 8.2909 116.7027 56.3555 38.4735 177.7438 45 V 3.5715 8.1528 119.9919 66.0213 31.6414 178.0028 46 S 4.0955 8.2584 112.9790 61.6148 61.9544 176.3282 47 T 3.8614 7.7785 117.6081 66.5945 68.5352 176.3941 48 I 3.8534 8.0432 121.9881 64.5702 37.1976 178.5694 49 L 4.0154 8.3145 119.8018 57.5455 41.2128 178.9192 50 A 4.1910 7.9509 118.6683 53.4596 18.7177 178.4836 51 S 4.6691 8.9046 112.1037 57.5874 63.7849 174.4095 52 G 3.5721 7.1616 115.4011 45.8286 0.0000 172.3882 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 G 8.34 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 0.00 0.00 0.00 2 S 7.88 4.51 0.00 4.08 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 3 I 8.45 3.67 1.87 0.00 0.00 0.86 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 0.89 0.91 0.00 0.00 4 I 7.68 3.70 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.23 0.91 0.00 0.00 5 N 8.09 4.39 0.00 2.98 2.85 0.00 0.00 7.06 6.94 0.00 0.00 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 E 8.62 3.97 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 2.32 2.64 0.00 7 T 8.07 3.86 4.40 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 1.22 0.00 0.00 8 A 8.02 3.99 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 9 D 8.36 4.33 0.00 2.89 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 10 D 8.28 4.37 0.00 2.84 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.01 3.70 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.69 0.92 0.00 0.00 12 V 8.11 3.59 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 1.02 0.00 0.00 0.99 0.00 0.00 13 Y 8.42 4.04 0.00 3.15 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 14 R 8.32 3.75 0.00 1.99 1.96 0.00 3.21 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.94 0.00 15 L 7.99 4.05 0.00 1.79 1.69 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.87 3.88 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 1.19 0.00 0.00 17 V 7.42 3.42 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 0.94 0.00 0.00 0.37 0.00 0.00 18 I 7.39 3.67 1.99 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 1.69 1.00 0.90 0.00 0.00 19 I 8.07 3.73 1.96 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 1.51 0.71 0.89 0.00 0.00 20 D 8.42 4.43 0.00 2.91 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.20 4.37 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.12 3.96 0.00 1.87 1.99 0.00 3.29 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.79 0.00 23 Y 8.27 4.09 0.00 3.09 3.25 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 0.00 24 E 8.52 3.60 0.00 2.11 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 2.68 2.55 0.00 25 S 7.98 4.04 0.00 4.00 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 26 L 7.93 3.95 0.00 1.75 1.66 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.99 3.71 0.00 1.13 1.57 0.00 1.60 0.00 0.00 1.35 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.33 7.81 28 N 8.18 4.29 0.00 2.83 2.80 0.00 0.00 6.72 7.42 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 29 L 7.97 3.91 0.00 1.80 1.77 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.98 3.67 1.96 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 1.50 0.61 0.90 0.00 0.00 31 T 7.96 3.82 4.35 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 1.19 0.00 0.00 32 L 8.17 3.91 0.00 1.77 1.85 0.91 1.02 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 33 R 8.32 3.94 0.00 1.83 1.95 0.00 3.33 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 34 A 8.33 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.35 4.32 0.00 2.93 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 3.94 0.00 2.03 1.97 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 37 L 8.02 3.99 0.00 1.85 1.71 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.26 3.96 0.00 2.17 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 2.54 0.00 39 M 8.09 4.06 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.58 0.00 40 I 8.07 3.76 1.87 0.00 0.00 0.86 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 0.69 0.91 0.00 0.00 41 I 8.05 3.70 2.04 0.00 0.00 0.86 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 0.87 0.91 0.00 0.00 42 N 8.57 4.30 0.00 2.90 2.87 0.00 0.00 7.08 8.11 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 43 D 8.45 4.37 0.00 2.95 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.29 4.32 0.00 2.80 2.86 0.00 0.00 6.76 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 45 V 8.15 3.57 2.12 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 1.07 0.00 0.00 0.97 0.00 0.00 46 S 8.26 4.10 0.00 4.00 3.99 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 47 T 7.78 3.86 4.41 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 1.21 0.00 0.00 48 I 8.04 3.85 2.01 0.00 0.00 0.86 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 1.09 0.91 0.00 0.00 49 L 8.31 4.02 0.00 1.66 1.72 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.95 4.19 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 51 S 8.90 4.67 0.00 3.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.16 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00