NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.9001 8.3644 120.4510 53.7243 41.0911 174.1487 2 K 4.4701 8.5566 119.4656 53.9713 35.4085 173.3942 3 L 4.3745 8.4166 127.3702 54.5997 43.4601 175.8910 4 I 4.3917 8.2166 117.9057 59.5022 38.5670 175.0813 5 G 3.6770 6.8626 109.3337 46.3411 0.0000 171.0054 6 S 4.9962 7.6038 114.0552 57.3456 64.3180 174.3297 7 C 5.5484 8.3475 119.0013 57.1554 44.5996 175.3727 8 V 3.5818 7.9514 119.8845 63.3119 31.5382 174.9378 9 W 2.5400 8.0267 129.2189 54.9092 27.6164 173.6195 10 G 5.0274 7.4615 120.9632 46.7283 0.0000 170.7303 11 A 4.3017 7.4579 122.2047 51.6235 19.2827 176.6641 12 V 4.0642 7.9073 117.3505 61.5933 31.8538 176.7627 13 N 4.6254 7.5857 113.0535 55.2161 41.1296 172.9154 14 Y 4.6056 8.2267 118.6480 57.1097 39.8197 175.2536 15 T 4.0717 6.5830 116.8963 59.7285 68.5765 173.9509 16 S 4.2137 8.5501 123.3164 60.9457 63.3478 174.3994 17 D 4.8104 7.5167 120.0136 51.9521 40.2703 176.0637 18 C 4.0504 8.1592 123.7424 59.7661 42.1751 174.3309 19 N 4.3427 8.1264 117.8056 56.5326 38.7015 176.6775 20 G 3.7939 8.5320 108.9347 47.1277 0.0000 175.1447 21 E 3.8380 8.2866 120.8771 59.0338 29.9327 177.6776 22 C 4.2909 8.2761 116.7551 60.2120 36.9773 176.3699 23 K 4.0186 8.6411 120.0527 59.6046 31.4514 179.3297 24 R 4.1477 7.8183 117.5706 58.7562 29.8699 177.6459 25 R 4.1860 7.4566 116.0769 55.3777 30.2255 177.2848 26 G 3.9524 8.2077 107.4624 45.6853 0.0000 174.5284 27 Y 4.7843 7.2155 116.9977 57.2538 39.6382 174.2882 28 K 4.5297 8.3200 117.0455 57.8898 34.9885 176.0326 29 G 4.1007 7.7005 103.6778 46.0429 0.0000 172.6113 30 G 4.5049 8.4072 106.4275 45.8513 0.0000 171.7675 31 H 4.7045 8.6342 116.4488 54.5977 32.3727 172.1864 32 C 5.1020 8.6537 119.3161 55.2845 44.3446 172.9724 33 G 4.8744 7.9673 110.2459 45.4974 0.0000 171.8276 34 S 4.4544 7.6969 115.3656 58.0092 66.1051 173.6270 35 F 4.5414 9.0919 124.1477 59.2843 40.3188 176.1972 36 A 3.2524 8.2443 127.5587 52.5359 16.0358 175.6817 37 N 4.1858 7.6745 116.3611 55.5699 35.9072 174.1177 38 V 4.6502 8.2793 113.1822 60.9930 34.8778 175.6033 39 N 4.9272 8.2447 115.9328 51.2938 43.2197 173.8987 40 C 4.9797 8.3522 121.8257 54.7437 42.8772 172.5522 41 W 5.0373 9.0288 126.7605 55.4062 31.4200 174.8900 42 C 5.1448 9.5553 123.7288 54.6444 46.2597 173.0358 43 E 5.0599 8.7579 120.4607 55.5355 28.5453 176.8062 44 T 3.8420 7.7166 114.1070 62.0377 68.6590 174.0153 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 8.36 4.90 0.00 2.90 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.56 4.47 0.00 1.63 1.48 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.47 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.47 7.81 3 L 8.42 4.37 0.00 1.41 1.44 -0.58 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.22 4.39 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 1.14 0.00 0.00 5 G 6.86 3.68 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 0.00 0.00 0.00 6 S 7.60 5.00 0.00 3.83 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.35 5.55 0.00 2.93 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 8 V 7.95 3.58 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.06 0.00 0.00 9 W 8.03 2.54 0.00 3.06 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.46 5.03 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 11 A 7.46 4.30 1.27 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 0.00 0.00 12 V 7.91 4.06 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 0.80 0.00 0.00 0.91 0.00 0.00 13 N 7.59 4.63 0.00 2.74 2.67 0.00 0.00 6.62 7.49 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 14 Y 8.23 4.61 0.00 2.81 2.56 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 0.00 15 T 6.58 4.07 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 1.03 0.00 0.00 16 S 8.55 4.21 0.00 3.93 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 17 D 7.52 4.81 0.00 2.67 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 18 C 8.16 4.05 0.00 2.93 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 19 N 8.13 4.34 0.00 2.97 2.80 0.00 0.00 7.04 8.42 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 20 G 8.53 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.29 3.84 0.00 1.89 2.04 0.00 0.00 0.00 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 2.29 0.00 22 C 8.28 4.29 0.00 3.22 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.64 4.02 0.00 1.94 1.84 0.00 1.91 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.60 7.81 24 R 7.82 4.15 0.00 1.96 2.05 0.00 3.19 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 25 R 7.46 4.19 0.00 0.67 1.23 0.00 3.09 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.32 0.00 26 G 8.21 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 27 Y 7.22 4.78 0.00 2.96 2.86 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 28 K 8.32 4.53 0.00 1.85 1.92 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.35 7.81 29 G 7.70 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.41 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.63 4.70 0.00 3.16 3.44 0.00 5.27 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 8.65 5.10 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.97 4.87 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 0.00 0.00 0.00 34 S 7.70 4.45 0.00 4.06 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 35 F 9.09 4.54 0.00 3.11 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 36 A 8.24 3.25 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.67 4.19 0.00 2.97 3.00 0.00 0.00 6.60 7.52 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 38 V 8.28 4.65 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.15 0.00 0.00 39 N 8.24 4.93 0.00 2.72 1.89 0.00 0.00 6.82 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.35 4.98 0.00 2.95 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 W 9.03 5.04 0.00 3.34 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 42 C 9.56 5.14 0.00 3.17 2.97 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 43 E 8.76 5.06 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 44 T 7.72 3.84 3.91 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 0.24 0.00 0.00