NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6702 8.2076 120.5455 54.6275 43.4368 177.2205 2 Y 4.0400 8.3649 117.7936 60.0519 37.6035 177.1724 3 L 3.2558 7.9940 121.9143 57.0186 42.0853 180.6195 4 R 4.0195 7.7541 117.0336 58.4453 29.5711 178.6971 5 E 3.9731 8.0887 119.0990 59.1293 29.5108 179.0427 6 L 4.0891 7.9335 119.0384 57.7458 41.7078 178.8434 7 L 3.8394 7.8068 120.1555 58.5315 41.7850 178.8665 8 K 3.8379 8.5622 119.3283 59.6539 31.9829 178.4007 9 L 3.9701 9.1902 120.9161 58.1054 41.9566 178.6490 10 E 4.1651 8.6865 118.6164 58.6738 29.3377 178.9828 11 L 4.0727 8.1404 119.5650 57.4829 41.7083 179.0016 12 Q 3.9581 7.9256 119.6366 59.1674 28.9917 178.2492 13 A 4.1173 7.8512 121.5600 54.8066 18.3910 179.1204 14 I 3.6595 7.8273 117.4479 64.4388 37.8458 178.0160 15 K 3.8989 7.7715 120.2419 59.5376 32.0961 178.9382 16 Q 3.8846 7.9479 117.9297 59.0593 28.5185 178.3881 17 Y 3.9198 8.0184 117.6526 61.5221 37.7486 177.9866 18 R 3.8611 8.6366 117.8706 59.9894 30.2113 177.8075 19 E 4.0283 9.3889 119.3195 59.7873 29.2130 179.3544 20 A 4.0986 8.4620 120.9186 54.9656 18.2324 179.2690 21 L 4.8337 8.3527 117.9193 56.0644 41.9084 178.2063 22 E 4.2364 7.6178 115.8498 56.5910 30.0553 175.7645 23 Y 4.3309 7.7428 115.5381 58.8100 40.3036 176.9096 24 V 3.9642 8.2861 121.0080 62.1314 33.1381 176.7107 25 K 4.4588 8.1683 121.2944 55.4465 32.9683 175.8211 26 L 3.9148 8.2204 119.6721 54.8634 42.3585 175.0477 27 P 4.2133 0.0000 0.0000 66.0488 31.3478 178.6003 28 V 3.5959 7.9861 116.9753 65.1010 30.9239 178.1154 29 L 4.0926 8.1035 119.3048 57.5866 41.5392 179.1683 30 A 4.0603 8.7142 121.1308 54.6962 18.2739 179.7882 31 K 3.9951 7.8982 116.9416 59.4826 31.9461 179.1972 32 I 3.3928 7.6114 120.1039 64.2505 36.8964 177.9593 33 L 4.0247 7.4040 119.4482 58.4052 41.4408 178.8382 34 E 3.9410 7.7269 116.7006 59.9489 29.3682 178.6517 35 D 4.1583 8.2153 117.8590 57.8771 41.0269 179.6221 36 E 3.5833 8.8276 119.7900 59.0366 29.1942 179.3390 37 E 3.8154 8.5768 119.3568 59.3086 29.8358 178.6064 38 K 3.4431 7.9158 119.6638 59.9324 31.9731 177.9829 39 H 3.7486 7.7401 115.8036 59.1131 28.8561 177.6285 40 I 3.6668 7.9247 121.5979 64.5240 36.8495 178.0964 41 E 4.2411 7.8583 121.1881 58.6302 29.5942 178.9338 42 W 4.4276 7.8484 118.5624 59.7505 29.0982 178.3326 43 L 4.1122 8.4862 119.5026 57.6359 40.4794 179.1880 44 E 4.0601 8.2787 118.3774 59.7554 29.2942 178.0987 45 T 3.7025 8.1706 112.7505 67.8585 68.5292 175.5519 46 I 3.8673 7.8894 123.6851 65.9204 38.0729 177.9609 47 L 4.3806 8.6010 118.0186 55.6493 43.9394 177.4889 48 G 4.2828 7.7946 108.3963 45.5183 0.0000 174.2717 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 D 8.21 4.67 0.00 2.82 2.82 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 2 Y 8.36 4.04 0.00 3.36 3.19 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 0.00 0.00 0.00 0.00 3 L 7.99 3.26 0.00 1.39 1.50 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.75 4.02 0.00 1.93 1.95 0.00 3.12 0.00 0.00 3.33 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 5 E 8.09 3.97 0.00 2.21 2.01 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 2.56 2.53 0.00 6 L 7.93 4.09 0.00 1.73 1.69 0.87 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.81 3.84 0.00 1.81 1.78 0.91 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.56 3.84 0.00 1.82 2.04 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 9 L 9.19 3.97 0.00 1.88 1.89 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.69 4.17 0.00 2.08 1.98 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 2.47 2.51 0.00 11 L 8.14 4.07 0.00 1.70 1.71 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.93 3.96 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 13 A 7.85 4.12 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.83 3.66 2.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.30 0.93 0.00 0.00 15 K 7.77 3.90 0.00 1.95 2.02 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 16 Q 7.95 3.88 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 17 Y 8.02 3.92 0.00 3.22 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 18 R 8.64 3.86 0.00 1.98 1.99 0.00 3.20 0.00 0.00 3.14 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 19 E 9.39 4.03 0.00 2.09 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 2.49 2.44 0.00 20 A 8.46 4.10 1.35 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 0.00 0.00 0.00 21 L 8.35 4.83 0.00 1.82 1.75 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.62 4.24 0.00 1.67 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 2.33 2.34 0.00 23 Y 7.74 4.33 0.00 2.99 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 24 V 8.29 3.96 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 0.81 0.00 0.00 1.00 0.00 0.00 25 K 8.17 4.46 0.00 1.69 1.77 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.39 7.81 26 L 8.22 3.91 0.00 1.78 1.61 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.21 0.00 2.19 2.12 0.00 3.68 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 28 V 7.99 3.60 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 0.90 0.00 0.00 0.94 0.00 0.00 29 L 8.10 4.09 0.00 1.84 1.92 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.71 4.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.90 4.00 0.00 1.77 1.83 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.51 7.81 32 I 7.61 3.39 1.60 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 1.35 0.92 -0.58 0.00 0.00 33 L 7.40 4.02 0.00 1.61 1.66 0.95 0.88 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 34 E 7.73 3.94 0.00 2.00 2.14 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 2.22 2.30 0.00 35 D 8.22 4.16 0.00 2.62 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.83 3.58 0.00 1.70 2.03 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 2.24 2.25 0.00 37 E 8.58 3.82 0.00 1.70 1.90 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 2.27 2.37 0.00 38 K 7.92 3.44 0.00 1.56 1.11 0.00 1.45 0.00 0.00 1.30 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.65 1.25 7.81 39 H 7.74 3.75 0.00 3.31 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.92 3.67 1.92 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 1.37 1.11 0.91 0.00 0.00 41 E 7.86 4.24 0.00 2.11 1.96 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 2.34 2.20 0.00 42 W 7.85 4.43 0.00 3.58 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.49 4.11 0.00 1.80 1.71 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.28 4.06 0.00 2.08 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 2.32 2.65 0.00 45 T 8.17 3.70 4.56 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 1.21 0.00 0.00 46 I 7.89 3.87 1.88 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 1.53 0.34 0.91 0.00 0.00 47 L 8.60 4.38 0.00 1.60 1.64 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.79 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00