NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1794 8.2549 117.2635 54.7404 31.0075 174.8747 2 P 4.0014 0.0000 0.0000 60.6590 31.9179 176.3525 3 D 4.3467 8.3701 121.3920 56.2231 40.2709 178.0986 4 F 4.4671 7.6976 114.0063 58.9749 38.1478 177.4701 5 C 4.6224 7.3544 117.9017 58.8737 40.0887 174.1458 6 L 4.4074 7.6392 117.9030 54.6054 41.9424 176.5276 7 E 4.3673 7.7100 119.0125 54.6254 30.2704 174.9415 8 P 4.4420 0.0000 0.0000 61.6192 32.0502 174.4100 9 P 3.6029 0.0000 0.0000 62.8564 31.2900 175.2096 10 Y 4.6290 7.8565 121.8784 56.0555 39.8740 175.3569 11 T 4.1757 8.2734 125.5984 64.9145 68.8406 176.1553 12 G 3.7364 6.7782 104.9034 44.0928 0.0000 171.3136 13 P 4.3184 0.0000 0.0000 64.8998 32.1256 177.8806 14 C 4.4933 7.8822 116.4135 56.9553 40.6831 173.4861 15 K 4.4290 8.2072 119.5278 56.2482 32.3672 176.6022 16 A 4.3237 7.8201 121.3138 51.3061 20.9561 177.5367 17 R 4.5830 8.3625 119.0865 54.3746 31.1393 173.2352 18 I 4.4557 8.3545 125.3596 58.9262 40.0592 174.6859 19 I 4.2577 8.3221 128.6494 61.0662 37.8717 175.4674 20 R 4.6985 8.2549 124.9749 54.6010 34.9248 173.5894 21 Y 5.7772 9.4708 117.5697 56.7398 40.9278 175.4008 22 F 5.7398 9.4450 116.4783 55.6029 42.3519 172.6890 23 Y 4.3414 9.9187 122.7236 57.0030 40.0499 174.1240 24 N 4.6738 8.1438 126.7528 51.4386 38.2087 174.7635 25 A 3.8308 8.3576 128.3840 54.7923 18.7470 178.7739 26 K 3.9099 8.1679 115.1269 58.8199 32.2724 177.0496 27 A 4.3236 7.9352 119.7353 51.4746 20.0435 177.7525 28 G 3.8641 9.3378 103.9568 44.9062 0.0000 172.4657 29 L 4.5999 6.7586 118.7647 54.6346 44.3651 174.5222 30 C 4.9850 8.5328 116.3448 56.0487 42.7535 173.4491 31 Q 4.9190 8.2824 122.1734 54.3842 32.6345 174.1113 32 T 5.3572 8.5897 109.3276 60.8353 71.4496 173.3934 33 F 4.9768 8.8085 116.8183 55.9363 42.2065 172.9004 34 V 4.2945 8.3510 119.3434 61.7999 32.3452 174.1006 35 Y 4.7160 8.7885 130.2946 56.1710 40.1069 176.5268 36 G 3.8338 8.2892 113.6774 46.4650 0.0000 175.0261 37 G 3.8508 6.4414 106.8696 45.2522 0.0000 172.2432 38 C 4.8917 7.0380 112.0486 54.8589 44.5774 173.1851 39 R 3.7884 8.7893 116.3536 57.1943 27.1941 176.9128 40 A 4.3115 8.2238 118.7271 52.3968 19.1919 178.1902 41 K 4.3905 8.2414 120.5242 54.8007 34.1653 177.1566 42 R 3.5832 8.0996 117.8960 59.1111 30.4025 177.6352 43 N 4.8302 7.8272 117.7383 51.5391 37.4226 174.2733 44 N 5.1083 6.6375 116.5829 52.7394 41.7117 173.1118 45 F 5.0367 9.7590 124.7171 55.6707 42.4758 176.3700 46 K 4.5367 8.8818 121.7273 57.8869 32.5348 177.5266 47 S 4.6817 7.7733 112.9339 55.8785 66.9389 174.7631 48 A 3.3623 7.5977 124.8091 54.6669 18.0347 179.8529 49 E 3.7727 7.8512 115.7478 59.9664 29.6695 179.1638 50 D 4.2961 7.7365 120.6089 56.5635 40.7250 178.0499 51 C 2.4500 7.5516 118.9952 59.4017 44.1621 175.6902 52 M 3.7605 8.0284 120.4806 57.9930 31.2037 178.8588 53 R 3.7906 7.7401 118.5771 59.6602 30.3563 178.3863 54 T 4.1590 7.6969 114.3593 65.8294 68.7556 174.8988 55 C 4.4386 7.9226 115.1013 56.0159 41.5209 174.1710 56 G 3.7459 7.7696 114.4544 45.8496 0.0000 173.3505 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 R 8.25 4.18 0.00 1.69 1.85 0.00 2.93 0.00 0.00 2.98 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 2 P 0.00 4.00 0.00 1.08 1.54 0.00 3.27 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 3 D 8.37 4.35 0.00 2.82 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 4 F 7.70 4.47 0.00 3.25 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 C 7.35 4.62 0.00 2.92 3.12 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 0.00 0.00 0.00 6 L 7.64 4.41 0.00 1.79 1.75 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.71 4.37 0.00 2.18 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 2.55 2.44 0.00 8 P 0.00 4.44 0.00 2.11 2.04 0.00 3.79 0.00 0.00 3.73 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 9 P 0.00 3.60 0.00 0.50 0.49 0.00 3.40 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.68 0.00 10 Y 7.86 4.63 0.00 2.80 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 11 T 8.27 4.18 4.12 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 0.00 0.00 1.17 0.00 0.00 12 G 6.78 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.32 0.00 2.17 2.19 0.00 3.78 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 1.97 2.02 0.00 14 C 7.88 4.49 0.00 2.78 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 15 K 8.21 4.43 0.00 1.66 1.74 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.34 7.81 16 A 7.82 4.32 1.20 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 0.00 0.00 17 R 8.36 4.58 0.00 1.73 1.77 0.00 3.15 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 18 I 8.35 4.46 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 0.97 0.00 0.00 19 I 8.32 4.26 1.76 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 1.27 0.67 0.70 0.00 0.00 20 R 8.25 4.70 0.00 1.03 1.96 0.00 3.43 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 21 Y 9.47 5.78 0.00 3.22 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 22 F 9.44 5.74 0.00 3.29 3.05 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 23 Y 9.92 4.34 0.00 3.08 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 24 N 8.14 4.67 0.00 2.19 2.42 0.00 0.00 6.63 8.03 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 25 A 8.36 3.83 1.40 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 0.00 0.00 26 K 8.17 3.91 0.00 1.72 2.09 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.45 7.81 27 A 7.94 4.32 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.34 3.86 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 0.00 0.00 0.00 29 L 6.76 4.60 0.00 1.62 1.68 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.53 4.99 0.00 2.81 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.28 4.92 0.00 1.78 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.01 0.00 32 T 8.59 5.36 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 33 F 8.81 4.98 0.00 2.96 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 34 V 8.35 4.29 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 0.69 0.00 0.00 0.89 0.00 0.00 35 Y 8.79 4.72 0.00 2.54 2.73 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 0.00 0.00 0.00 0.00 36 G 8.29 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.44 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 38 C 7.04 4.89 0.00 3.06 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 39 R 8.79 3.79 0.00 2.18 2.22 0.00 3.26 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 40 A 8.22 4.31 0.91 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 0.00 0.00 41 K 8.24 4.39 0.00 1.74 1.69 0.00 1.52 0.00 0.00 1.49 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.07 7.81 42 R 8.10 3.58 0.00 1.21 0.66 0.00 2.32 0.00 0.00 2.84 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.29 0.00 43 N 7.83 4.83 0.00 3.18 2.89 0.00 0.00 6.68 7.79 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 44 N 6.64 5.11 0.00 2.65 2.54 0.00 0.00 7.08 7.02 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 45 F 9.76 5.04 0.00 3.26 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 46 K 8.88 4.54 0.00 1.85 1.95 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.47 7.81 47 S 7.77 4.68 0.00 4.10 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 48 A 7.60 3.36 0.83 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 0.00 0.00 0.00 0.00 0.00 49 E 7.85 3.77 0.00 2.11 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 0.00 2.29 2.31 0.00 50 D 7.74 4.30 0.00 2.82 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 51 C 7.55 2.45 0.00 2.58 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 52 M 8.03 3.76 0.00 1.97 2.04 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 2.55 2.69 0.00 53 R 7.74 3.79 0.00 1.82 2.05 0.00 3.25 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 54 T 7.70 4.16 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 55 C 7.92 4.44 0.00 2.65 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 0.00 0.00 0.00 0.00 56 G 7.77 3.75 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 0.00 0.00 0.00