NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0334 8.3016 107.8190 46.0819 0.0000 176.3512 2 E 4.2719 9.0248 122.4282 55.4748 31.5735 173.1523 3 W 5.6289 8.3374 122.5658 55.3009 33.7822 173.6019 4 E 4.8113 9.3795 119.7149 55.7399 33.0905 173.7934 5 I 4.8503 8.3483 121.7536 60.2031 38.0591 175.4426 6 I 4.4545 8.3487 121.2255 59.1003 39.9172 175.2184 7 D 4.6870 8.5826 123.5626 54.2425 42.2461 176.1052 8 I 4.1312 8.0031 117.6853 60.4484 37.4631 175.5954 9 G 3.9768 7.5665 108.4779 44.2330 0.0000 170.9949 10 P 4.4548 0.0000 0.0000 65.1736 31.5029 178.0354 11 F 4.5218 8.2830 120.6984 61.9721 39.0989 177.0835 12 T 3.7595 7.9163 114.5531 66.4971 68.2383 176.5854 13 Q 4.2143 8.3079 120.2482 58.7402 28.6316 178.2975 14 N 4.3451 8.1774 117.8018 56.3566 38.6022 177.3759 15 L 4.2421 8.0960 120.0374 57.5700 41.8043 179.5658 16 G 3.8480 7.8385 105.4918 47.9174 0.0000 175.4346 17 K 3.1509 7.5029 121.6332 58.8381 31.9994 178.6064 18 F 4.1567 8.3588 120.1775 61.6326 39.2450 176.7594 19 A 3.6442 8.1260 119.8840 55.5159 18.1308 179.8924 20 V 3.5648 7.6951 115.9302 66.2188 31.1165 177.9850 21 D 4.4104 8.1517 118.6866 57.3822 40.3890 178.5957 22 E 3.9443 7.9919 118.6358 58.7545 29.6027 178.7491 23 E 4.0336 8.1182 119.5756 59.5231 29.5837 178.4847 24 N 4.3641 8.5455 116.8285 56.2684 38.2687 177.5551 25 K 3.8959 7.4776 118.4312 59.6714 32.2794 179.1879 26 I 3.9213 8.0211 119.0628 61.9592 37.2201 177.3546 27 G 3.9369 7.4325 106.1095 45.5988 0.0000 174.8954 28 Q 3.6570 7.5694 120.5303 59.0741 28.8511 178.0581 29 Y 4.5145 7.9261 111.7501 57.3943 39.0173 177.5636 30 G 3.8191 8.1183 108.9089 46.6937 0.0000 173.9918 31 R 4.8975 8.4298 123.9420 54.5754 32.4016 175.3327 32 L 4.7592 8.7699 121.1869 53.2379 45.6718 175.9849 33 T 4.3360 8.3636 117.1110 60.5164 68.1452 174.4131 34 F 4.4497 8.6726 130.7410 58.6177 39.5192 172.5132 35 N 4.6995 6.3131 119.0080 52.9024 44.2796 174.6250 36 K 4.2872 6.8513 118.3691 55.4654 36.1432 175.5750 37 V 4.3397 8.1506 119.5507 61.0285 33.0739 175.1593 38 I 4.6430 7.8398 118.8345 58.4882 40.3750 175.4695 39 R 4.0928 8.3362 120.5378 55.7378 30.5353 174.9075 40 P 4.5991 0.0000 0.0000 62.4866 32.8635 174.7747 41 C 4.8927 7.9359 119.6132 57.9465 34.4582 172.1237 42 M 5.4507 8.5893 123.2595 53.6138 34.7639 174.2585 43 K 4.5643 9.3059 125.5484 54.8639 35.4521 174.8163 44 K 4.3654 8.2795 125.3602 54.5116 34.3456 174.8511 45 T 4.6153 8.2911 123.1513 62.0231 70.7345 173.7640 46 I 4.4879 8.3889 126.3163 60.3570 38.8170 175.1868 47 Y 4.5237 8.4597 119.5038 58.7698 40.6180 176.1722 48 E 4.7727 7.6789 115.9090 55.8495 31.6278 173.9079 49 N 4.8367 7.9382 120.0706 51.6978 41.3077 175.3900 50 E 4.2834 8.4892 117.6144 57.0500 30.2071 176.1173 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 8.30 4.03 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 0.00 0.00 0.00 2 E 9.02 4.27 0.00 1.99 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 3 W 8.34 5.63 0.00 3.07 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 4 E 9.38 4.81 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 5 I 8.35 4.85 1.90 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 1.44 0.63 0.98 0.00 0.00 6 I 8.35 4.45 1.80 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.82 0.90 0.00 0.00 7 D 8.58 4.69 0.00 2.66 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.00 4.13 1.89 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 1.36 0.74 0.92 0.00 0.00 9 G 7.57 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 2.29 2.25 0.00 3.86 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 11 F 8.28 4.52 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.92 3.76 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 1.18 0.00 0.00 13 Q 8.31 4.21 0.00 2.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.70 2.64 0.00 14 N 8.18 4.35 0.00 3.28 2.95 0.00 0.00 6.92 6.75 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 15 L 8.10 4.24 0.00 1.88 1.79 0.66 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.84 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 0.00 0.00 0.00 17 K 7.50 3.15 0.00 1.78 1.65 0.00 1.52 0.00 0.00 1.35 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.95 7.81 18 F 8.36 4.16 0.00 3.02 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 19 A 8.13 3.64 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 3.56 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 1.13 0.00 0.00 1.13 0.00 0.00 21 D 8.15 4.41 0.00 2.87 2.68 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 22 E 7.99 3.94 0.00 1.59 1.72 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 2.12 1.47 0.00 23 E 8.12 4.03 0.00 2.15 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 0.00 2.38 2.49 0.00 24 N 8.55 4.36 0.00 2.98 2.88 0.00 0.00 7.12 7.36 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 25 K 7.48 3.90 0.00 1.88 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.62 7.81 26 I 8.02 3.92 1.94 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 1.45 0.76 0.95 0.00 0.00 27 G 7.43 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.57 3.66 0.00 2.21 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 7.25 0.00 0.00 0.00 0.00 0.00 2.21 2.08 0.00 29 Y 7.93 4.51 0.00 3.02 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 30 G 8.12 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.43 4.90 0.00 1.76 1.83 0.00 3.26 0.00 0.00 3.43 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 32 L 8.77 4.76 0.00 1.62 1.51 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.36 4.34 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 1.25 0.00 0.00 34 F 8.67 4.45 0.00 2.99 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 6.31 4.70 0.00 2.41 2.42 0.00 0.00 6.69 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 36 K 6.85 4.29 0.00 1.67 1.51 0.00 1.50 0.00 0.00 1.59 0.00 0.00 2.71 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 1.34 7.81 37 V 8.15 4.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.08 0.00 0.00 38 I 7.84 4.64 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.11 0.87 0.00 0.00 39 R 8.34 4.09 0.00 1.82 1.91 0.00 3.20 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 40 P 0.00 4.60 0.00 2.19 2.04 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 41 C 7.94 4.89 0.00 2.94 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 42 M 8.59 5.45 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.12 2.82 0.00 43 K 9.31 4.56 0.00 1.78 1.83 0.00 1.16 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.36 7.81 44 K 8.28 4.37 0.00 0.79 0.78 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.79 0.48 7.81 45 T 8.29 4.62 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 1.46 0.00 0.00 46 I 8.39 4.49 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.48 0.96 0.00 0.00 47 Y 8.46 4.52 0.00 2.78 2.94 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 0.00 0.00 0.00 0.00 48 E 7.68 4.77 0.00 1.97 1.85 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 2.22 2.42 0.00 49 N 7.94 4.84 0.00 2.74 2.78 0.00 0.00 7.02 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.49 4.28 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00