NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6167 8.4449 120.3851 56.2495 30.4199 172.8906 1 E 4.6463 8.7590 117.4419 52.7262 32.5047 173.8177 2 Q 4.2494 8.7247 123.6944 56.9349 30.6714 175.5852 3 T 4.5000 9.0994 115.3867 62.9598 71.6848 173.4623 4 H 5.3679 8.0739 116.9469 53.8362 34.1186 172.1188 5 R 5.1406 8.7908 117.9986 54.8184 33.4824 174.2626 6 A 4.6959 8.9506 128.8834 52.0964 19.0691 177.6587 7 I 4.3215 8.7762 114.4393 60.5731 39.4884 175.4860 8 F 5.2303 7.7221 119.6233 55.3427 42.7316 174.3981 9 R 4.5629 8.7544 121.2213 56.0676 31.0486 175.2492 10 F 5.0740 9.3156 128.2172 56.4796 42.4105 173.3999 11 V 4.3461 7.7820 126.0482 60.1978 32.8023 173.5935 12 P 4.4603 0.0000 0.0000 62.9526 31.6485 176.5314 13 R 4.4931 10.0749 119.1592 55.6567 32.5911 175.3731 14 H 5.0629 7.9742 114.0213 53.3716 32.5604 173.9337 15 E 3.9884 9.0887 121.5749 59.7871 29.5154 178.4034 16 D 4.6110 8.0236 115.7667 54.3438 40.2466 175.7434 17 E 4.9771 7.9397 119.8909 56.3553 30.5109 175.7233 18 L 4.7630 9.0504 125.6615 53.3764 43.5340 175.8457 19 E 4.4529 8.8993 127.4824 56.3638 30.7823 175.7039 20 L 4.8639 9.0476 125.1889 53.1651 45.4714 175.5750 21 E 4.9897 8.8114 121.9704 54.2873 32.6127 175.7242 22 V 3.6349 8.2248 121.3267 64.3342 32.1676 175.5284 23 D 4.5346 8.9869 124.9430 55.2285 38.8205 173.5326 24 D 4.7276 7.5703 119.2831 53.1980 42.2164 174.1761 25 P 4.7631 0.0000 0.0000 62.7827 32.8246 175.1723 26 L 5.2157 8.9212 122.5205 52.9371 46.1716 175.4380 27 L 4.8702 8.7884 124.8758 53.0604 43.2861 174.4205 28 V 4.1470 8.9258 125.9798 62.8380 31.3274 175.3631 29 E 4.4248 9.0380 127.8390 57.6127 30.7275 176.3744 30 L 4.2761 7.4941 119.7759 54.1129 45.6745 173.9713 31 Q 4.8326 8.4846 125.1495 53.2122 28.7046 174.9865 32 A 4.2860 8.5265 126.0492 51.9026 19.6247 178.1800 33 E 4.0097 8.8537 116.5396 57.6996 30.1899 177.1325 34 D 4.5990 7.9148 118.2849 53.3546 39.8773 176.0433 35 Y 3.7620 7.4367 114.5222 58.7748 35.6964 168.3515 36 W 4.9012 8.0699 118.6107 55.0975 32.8103 174.1056 37 Y 5.0566 8.3169 119.7558 56.3615 40.5328 174.5830 38 E 5.0506 8.9951 123.4011 55.0182 31.6988 175.1289 39 A 5.3412 9.3643 125.7690 50.8888 23.9888 173.4619 40 Y 5.1121 8.7533 119.8920 55.9374 41.4148 174.1519 41 N 4.6461 9.0970 126.8671 53.0200 39.2393 175.4318 42 M 3.8768 8.4750 127.1872 57.5601 31.9809 178.1958 43 R 4.0538 8.5532 119.5998 58.3753 30.4499 176.9858 44 T 4.2790 7.9366 104.5491 60.4296 69.7191 174.1347 45 G 3.9803 7.9949 110.2622 46.3469 0.0000 173.4713 46 A 4.8188 7.4134 120.0903 49.9730 22.0489 176.5042 47 R 5.1399 9.3501 119.6269 53.9566 32.6525 176.5524 48 G 4.0903 6.9521 105.9884 45.8665 0.0000 171.4885 49 V 5.7804 8.2888 112.2740 59.1701 35.3792 175.1047 50 F 4.9780 8.1279 114.8511 55.0866 41.1439 171.4819 51 P 3.2804 0.0000 0.0000 62.3807 31.4661 176.9713 52 A 2.5800 8.1046 128.3516 55.3560 18.1574 178.7780 53 Y 4.3184 7.5292 109.5079 59.7674 38.1686 176.1414 54 Y 4.3330 8.5019 117.7511 58.6925 38.5003 174.5770 55 A 5.3655 7.8112 121.2764 49.9893 22.7887 175.4826 56 I 4.8424 8.5151 112.4665 58.6168 41.0351 175.0804 57 E 4.2083 8.9091 122.1169 56.2413 30.3523 177.5817 58 V 4.2465 7.3650 115.3138 58.5424 30.6230 176.5317 59 T 3.9425 7.3923 112.8751 62.4083 67.9073 173.9502 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 0 H 8.44 4.62 0.00 3.13 3.04 0.00 5.64 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 E 8.76 4.65 0.00 2.16 1.86 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 2.23 2.34 0.00 2 Q 8.72 4.25 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.60 2.35 0.00 3 T 9.10 4.50 4.33 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 0.00 0.00 0.00 1.28 0.00 0.00 4 H 8.07 5.37 0.00 3.20 3.44 0.00 5.76 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.79 5.14 0.00 1.84 1.69 0.00 3.21 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 6 A 8.95 4.70 1.23 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 0.00 0.00 7 I 8.78 4.32 1.35 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.36 0.77 0.00 0.00 8 F 7.72 5.23 0.00 2.28 2.52 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 0.00 0.00 0.00 0.00 9 R 8.75 4.56 0.00 1.91 1.94 0.00 3.22 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 10 F 9.32 5.07 0.00 3.19 2.90 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 11 V 7.78 4.35 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.88 0.00 0.00 12 P 0.00 4.46 0.00 1.92 2.00 0.00 3.54 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 2.02 2.08 0.00 13 R 10.07 4.49 0.00 1.48 1.60 0.00 3.10 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 14 H 7.97 5.06 0.00 3.23 3.15 0.00 5.84 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.09 3.99 0.00 1.96 2.05 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 2.34 2.28 0.00 16 D 8.02 4.61 0.00 2.81 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 17 E 7.94 4.98 0.00 2.22 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 2.72 2.45 0.00 18 L 9.05 4.76 0.00 1.72 2.01 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.90 4.45 0.00 2.02 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 2.29 2.36 0.00 20 L 9.05 4.86 0.00 1.73 1.49 0.28 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.81 4.99 0.00 2.30 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 22 V 8.22 3.63 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.04 0.00 0.00 23 D 8.99 4.53 0.00 2.83 2.78 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 24 D 7.57 4.73 0.00 2.80 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.76 0.00 2.13 2.18 0.00 3.60 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 26 L 8.92 5.22 0.00 1.68 1.64 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.79 4.87 0.00 1.91 1.80 1.04 0.80 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 28 V 8.93 4.15 1.89 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 0.40 0.00 0.00 0.78 0.00 0.00 29 E 9.04 4.42 0.00 1.90 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 2.30 2.50 0.00 30 L 7.49 4.28 0.00 1.69 1.42 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.48 4.83 0.00 1.81 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 1.16 1.84 0.00 32 A 8.53 4.29 1.45 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 0.00 0.00 0.00 33 E 8.85 4.01 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 2.22 2.23 0.00 34 D 7.91 4.60 0.00 2.91 2.80 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 0.00 0.00 0.00 35 Y 7.44 3.76 0.00 3.32 2.98 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 36 W 8.07 4.90 0.00 3.17 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 37 Y 8.32 5.06 0.00 1.43 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.00 5.05 0.00 1.90 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 2.39 2.39 0.00 39 A 9.36 5.34 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.75 5.11 0.00 3.12 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 9.10 4.65 0.00 2.67 2.49 0.00 0.00 6.78 8.31 0.00 0.00 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 8.48 3.88 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.77 0.00 43 R 8.55 4.05 0.00 1.71 2.05 0.00 3.22 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 44 T 7.94 4.28 4.21 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 1.18 0.00 0.00 45 G 7.99 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 46 A 7.41 4.82 1.23 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 0.00 0.00 47 R 9.35 5.14 0.00 1.92 1.97 0.00 3.43 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.90 0.00 48 G 6.95 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.29 5.78 2.32 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 0.89 0.00 0.00 0.97 0.00 0.00 50 F 8.13 4.98 0.00 2.40 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 51 P 0.00 3.28 0.00 1.44 1.39 0.00 2.20 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.60 0.00 52 A 8.10 2.58 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.53 4.32 0.00 3.09 3.10 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 54 Y 8.50 4.33 0.00 3.27 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 55 A 7.81 5.37 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 56 I 8.52 4.84 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.88 0.85 0.00 0.00 57 E 8.91 4.21 0.00 1.88 1.83 0.00 0.00 0.00 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 2.32 0.00 58 V 7.37 4.25 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 0.77 0.00 0.00 0.95 0.00 0.00 59 T 7.39 3.94 4.23 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 1.20 0.00 0.00