NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3532 8.1127 119.0730 56.5418 32.1272 177.3526 2 M 3.9373 7.9377 118.2302 57.3149 32.1019 176.2088 3 K 3.9732 8.8956 120.7399 59.6658 32.7400 178.1082 4 Q 4.0033 7.9259 117.7803 58.8819 28.5827 178.7331 5 I 3.7073 7.5239 120.3208 64.5070 37.2349 178.2328 6 E 3.9565 8.6721 119.7043 59.6976 29.3055 179.2870 7 D 4.3694 8.7803 119.1395 57.2105 40.8374 178.7962 8 K 3.9991 8.2503 120.2376 59.2459 32.1109 178.7455 9 L 3.9946 8.2201 119.7683 57.8668 41.4646 179.1856 10 E 3.8962 8.2355 119.0537 59.2935 29.5726 178.5021 11 E 3.9366 8.3116 119.3761 59.2827 29.6718 178.8356 12 I 3.7333 8.2782 120.3830 64.2968 37.1650 178.4436 13 L 4.0216 8.1849 119.9938 58.0213 41.4912 179.8040 14 S 4.2753 8.4494 115.3692 61.4669 62.6877 176.9068 15 K 4.1191 8.3296 121.4728 59.0716 31.7373 179.3800 16 L 4.0133 8.6164 119.8116 57.9094 41.4820 178.9115 17 Y 4.1321 8.2129 119.3678 61.0686 38.7476 177.3215 18 H 3.8498 8.3872 119.1390 59.5370 29.8454 177.2174 19 I 3.6669 7.8771 121.4382 64.3038 36.9335 178.6110 20 S 4.2131 8.3125 116.3165 61.4130 62.5830 176.3246 21 N 4.1860 8.1567 119.5872 56.2605 38.2586 177.2537 22 E 3.8562 8.1149 119.8931 59.4972 29.6174 179.4485 23 L 4.0765 8.2904 118.7939 57.1602 41.5698 179.3638 24 A 3.9847 8.1217 121.3803 54.8940 18.2611 179.6009 25 R 3.7936 8.0945 117.3413 59.6092 30.1715 178.9345 26 I 3.6953 7.5699 119.5051 64.2277 37.2353 178.3637 27 K 3.9463 8.1409 120.5419 59.1734 31.7787 178.5312 28 K 3.8346 8.0685 119.2262 59.6486 32.2106 178.1383 29 L 4.1259 7.7425 117.6662 58.0659 41.6851 179.3807 30 L 4.2240 8.2345 117.9232 57.5476 41.6244 178.0680 31 G 3.8633 7.7676 108.8980 44.9798 0.0000 173.2053 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 R 8.11 4.35 0.00 1.75 2.00 0.00 3.22 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 2 M 7.94 3.94 0.00 2.20 2.09 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 2.80 2.71 0.00 3 K 8.90 3.97 0.00 1.86 1.80 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.54 7.81 4 Q 7.93 4.00 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 5 I 7.52 3.71 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 0.84 0.91 0.00 0.00 6 E 8.67 3.96 0.00 2.07 2.00 0.00 0.00 0.00 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 2.51 0.00 7 D 8.78 4.37 0.00 2.86 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 8 K 8.25 4.00 0.00 2.00 1.95 0.00 1.54 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.52 7.81 9 L 8.22 3.99 0.00 1.85 1.72 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.24 3.90 0.00 2.04 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 0.00 2.30 2.31 0.00 11 E 8.31 3.94 0.00 2.09 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 2.32 2.36 0.00 12 I 8.28 3.73 2.05 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 1.53 0.67 0.93 0.00 0.00 13 L 8.18 4.02 0.00 1.84 1.71 0.92 0.93 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 14 S 8.45 4.28 0.00 4.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.33 4.12 0.00 2.08 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.61 7.81 16 L 8.62 4.01 0.00 1.68 1.76 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.21 4.13 0.00 3.00 3.23 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 18 H 8.39 3.85 0.00 3.28 3.52 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.88 3.67 2.00 0.00 0.00 0.88 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 0.54 0.89 0.00 0.00 20 S 8.31 4.21 0.00 4.05 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 21 N 8.16 4.19 0.00 2.57 2.66 0.00 0.00 6.97 8.52 0.00 0.00 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 E 8.11 3.86 0.00 1.99 1.91 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 2.11 2.17 0.00 23 L 8.29 4.08 0.00 1.80 1.69 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.12 3.98 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 25 R 8.09 3.79 0.00 1.96 2.10 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 26 I 7.57 3.70 2.00 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 1.39 0.51 0.90 0.00 0.00 27 K 8.14 3.95 0.00 1.82 1.94 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 28 K 8.07 3.83 0.00 1.85 2.09 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.48 7.81 29 L 7.74 4.13 0.00 1.81 1.72 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.23 4.22 0.00 1.69 1.73 0.94 0.92 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 31 G 7.77 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00