NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6227 8.4444 117.8606 54.5047 31.2067 172.8531 2 M 2.8170 7.7722 119.6028 53.8098 29.6872 173.2064 3 G 4.1679 8.0932 104.9418 45.3361 0.0000 168.5270 4 H 4.6279 8.5389 120.9253 55.0654 31.9089 173.2841 5 I 4.5094 7.1487 120.7778 59.6063 40.8170 176.2135 6 Q 4.7319 7.9253 119.8926 55.8467 29.1167 172.8691 7 I 4.6070 7.2756 111.4026 58.4441 41.2488 174.0475 8 P 4.3666 0.0000 0.0000 61.7886 31.3247 174.6349 9 P 4.4114 0.0000 0.0000 63.1683 32.3597 175.2972 10 G 4.0510 8.9102 109.8784 46.6819 0.0000 176.3683 11 L 4.0901 8.0354 119.7224 57.6169 41.5320 178.9748 12 T 3.8829 7.9563 115.6285 66.6930 68.4212 175.7081 13 E 4.0070 8.2306 119.4868 59.7596 29.0848 179.2766 14 L 4.0945 7.5260 117.8572 58.1907 41.7926 179.6834 15 L 4.1407 8.4023 118.9267 57.8468 41.5637 179.2572 16 Q 4.1120 9.0392 120.3220 59.2110 28.8703 178.7151 17 G 3.6236 8.1663 106.5119 48.1238 0.0000 174.5545 18 Y 4.0443 7.6091 121.9364 60.8680 38.2108 178.7595 19 T 3.8637 8.0968 116.1686 66.4805 68.2942 176.5858 20 V 3.7427 7.7185 119.9224 65.1553 31.4690 177.9122 21 E 3.9834 8.3527 119.1560 59.2520 29.5852 179.0120 22 V 3.1377 7.7094 118.3327 65.8322 31.2346 177.5688 23 L 4.0623 7.2959 117.7804 56.8565 42.0062 178.6547 24 R 4.0967 7.2558 117.7076 58.7477 30.4702 177.8845 25 Q 4.2333 8.0698 114.9467 55.0056 30.8829 175.3762 26 Q 3.2760 7.4934 118.0272 55.9935 26.2570 171.5533 27 P 4.3270 0.0000 0.0000 61.4541 32.7410 175.9793 28 P 4.2358 0.0000 0.0000 64.9486 31.5231 176.1455 29 D 4.8427 7.8601 119.8798 51.1424 40.5885 176.3220 30 L 4.3340 8.5017 126.3700 57.6462 42.3608 177.8988 31 V 3.7631 8.0079 117.7688 66.3945 31.2447 177.1115 32 D 4.3958 8.1220 116.5548 57.4082 41.1910 178.0135 33 F 4.2593 8.0428 119.4484 61.4559 39.4616 176.6661 34 A 4.3450 8.9019 122.1775 54.6030 18.0782 179.7882 35 V 3.6264 7.7295 115.8982 66.2240 31.5936 177.6764 36 E 4.1508 8.3216 118.4973 60.1251 29.3493 178.3713 37 Y 3.9149 7.7507 118.9465 60.9640 38.3273 178.2412 38 F 4.0482 7.6869 117.5399 61.1304 39.0417 177.8092 39 T 3.8681 8.5338 114.7888 66.9024 68.4192 176.1242 40 R 4.0281 8.2580 120.7071 58.7826 29.7006 178.0517 41 L 3.5934 7.7264 120.4813 58.1718 41.7156 179.1569 42 R 3.9745 7.5256 116.8318 58.7079 29.9966 177.9269 43 E 4.3850 7.8096 116.0399 58.3921 30.5672 176.9409 44 A 3.8657 8.7597 121.3107 50.0098 18.3347 181.2729 45 R 3.3919 8.9186 115.0105 53.6010 31.0902 177.1522 46 R 4.1419 8.6726 122.7461 57.2979 30.2644 176.2134 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 H 8.44 4.62 0.00 3.15 3.41 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 M 7.77 2.82 0.00 2.20 2.06 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 2.50 2.61 0.00 3 G 8.09 4.17 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 0.00 0.00 0.00 4 H 8.54 4.63 0.00 3.10 3.23 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.15 4.51 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 1.48 0.75 0.93 0.00 0.00 6 Q 7.93 4.73 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 7 I 7.28 4.61 1.87 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 1.48 0.62 0.91 0.00 0.00 8 P 0.00 4.37 0.00 2.19 2.12 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 9 P 0.00 4.41 0.00 2.21 2.10 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 10 G 8.91 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.09 0.00 1.75 1.74 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.96 3.88 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 1.24 0.00 0.00 13 E 8.23 4.01 0.00 2.08 2.07 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 2.44 2.52 0.00 14 L 7.53 4.09 0.00 2.16 1.86 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.40 4.14 0.00 1.90 1.80 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 9.04 4.11 0.00 2.43 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 17 G 8.17 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.61 4.04 0.00 2.99 3.14 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 0.00 0.00 0.00 19 T 8.10 3.86 4.49 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 0.00 0.00 0.00 1.21 0.00 0.00 20 V 7.72 3.74 2.20 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 0.97 0.00 0.00 0.96 0.00 0.00 21 E 8.35 3.98 0.00 1.98 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 2.29 2.21 0.00 22 V 7.71 3.14 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 0.84 0.00 0.00 0.24 0.00 0.00 23 L 7.30 4.06 0.00 1.71 1.65 0.88 0.93 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 24 R 7.26 4.10 0.00 2.02 1.90 0.00 3.34 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 25 Q 8.07 4.23 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.48 0.00 0.00 0.00 0.00 0.00 2.08 1.93 0.00 26 Q 7.49 3.28 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 27 P 0.00 4.33 0.00 1.88 1.54 0.00 3.39 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.55 0.00 28 P 0.00 4.24 0.00 2.18 2.18 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 29 D 7.86 4.84 0.00 2.87 2.85 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 30 L 8.50 4.33 0.00 1.82 1.79 0.84 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.01 3.76 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 0.99 0.00 0.00 1.00 0.00 0.00 32 D 8.12 4.40 0.00 2.90 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 33 F 8.04 4.26 0.00 3.32 3.40 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 34 A 8.90 4.35 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.73 3.63 2.33 0.00 0.00 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 1.08 0.00 0.00 36 E 8.32 4.15 0.00 2.26 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 2.43 2.43 0.00 37 Y 7.75 3.91 0.00 2.34 2.44 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 38 F 7.69 4.05 0.00 3.26 2.91 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 0.00 39 T 8.53 3.87 4.45 0.00 0.00 0.00 0.00 0.00 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 40 R 8.26 4.03 0.00 1.88 1.96 0.00 3.10 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 41 L 7.73 3.59 0.00 1.78 1.56 0.21 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.53 3.97 0.00 1.93 1.96 0.00 3.33 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 43 E 7.81 4.38 0.00 2.00 1.97 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 2.22 2.33 0.00 44 A 8.76 3.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.92 3.39 0.00 1.95 1.77 0.00 3.47 0.00 0.00 3.21 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 46 R 8.67 4.14 0.00 2.03 1.89 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00