NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.7415 0.0000 0.0000 63.2501 33.3642 174.8987 2 H 5.0811 8.7952 117.1908 53.7452 31.0359 169.5189 3 V 4.5759 9.7310 121.4098 61.3295 35.4233 173.9994 4 I 4.4690 8.8492 128.3227 60.9019 38.0826 175.3616 5 C 3.8441 8.6494 127.0300 57.6045 30.8505 173.3580 6 E 3.1701 6.0209 119.5982 59.3052 28.7749 178.0700 7 P 4.1610 0.0000 0.0000 65.4536 31.6395 177.1489 8 C 4.1785 7.6959 118.2317 61.8524 31.6917 173.7766 9 I 4.4156 6.8411 120.5632 62.2314 36.7869 176.4744 10 G 3.9745 9.1236 113.3462 45.5639 0.0000 172.8048 11 V 4.0614 7.4432 115.3908 64.0878 33.9288 176.3971 12 K 3.8603 8.2485 116.9026 57.0850 30.1476 175.1577 13 D 4.2553 7.8882 118.6241 56.2255 41.8707 177.0466 14 Q 3.3450 7.9619 114.7607 56.3750 26.3887 175.2150 15 S 4.1104 8.0292 116.2694 61.4636 62.4564 176.2058 16 C 4.1560 7.8595 117.0437 61.1463 29.4374 175.9741 17 V 3.4649 7.3895 120.8797 65.6594 30.9126 177.6108 18 E 4.1483 7.6214 113.9427 58.1888 29.6759 177.6927 19 V 4.0232 7.0896 111.5642 61.3958 32.8467 175.4361 20 C 4.2279 7.5634 121.0325 58.0648 31.3017 172.3780 21 P 4.2691 0.0000 0.0000 65.1452 31.0032 177.3860 22 V 4.0987 7.6755 109.3069 60.1005 32.5729 175.0147 23 E 3.6453 7.5155 118.9676 57.8871 27.3321 174.5136 24 C 4.5328 7.5253 107.7651 57.9544 31.7364 173.8646 25 I 4.5725 7.1191 120.0911 60.4423 38.3591 174.5615 26 Y 4.7939 8.1311 124.3834 55.5493 42.1804 174.5116 27 D 3.3700 8.4315 121.4663 53.5354 41.5793 176.0247 28 G 4.1246 8.8968 114.8900 45.1229 0.0000 173.1931 29 G 3.9946 8.6600 113.8945 44.7279 0.0000 174.3977 30 D 4.5556 8.7463 123.0968 54.3080 41.1248 176.4930 31 Q 4.9008 7.4519 116.5290 55.5431 30.8492 172.9398 32 F 4.9578 8.7797 117.8152 57.0737 40.5544 174.5576 33 Y 5.1648 8.8878 117.8870 55.7765 41.9496 173.7667 34 I 4.7781 8.7591 121.3843 59.8312 39.1908 175.1112 35 H 4.5099 9.3115 128.1902 55.5447 30.0210 174.0770 36 P 4.3728 0.0000 0.0000 65.8648 31.3393 177.6953 37 E 4.2740 8.4280 115.1976 57.9459 29.8758 177.1207 38 E 4.4115 8.1498 116.9868 57.3870 31.0207 176.3773 39 C 4.0713 8.0997 119.1244 59.9517 31.7804 173.1333 40 I 4.2362 8.3670 118.7437 60.0285 37.7805 174.8840 41 D 4.4591 7.9529 119.9607 55.7891 38.1038 175.3959 42 C 4.0554 8.1963 114.7645 59.2719 30.4434 174.7535 43 G 3.8552 8.1136 107.6936 45.1968 0.0000 174.8888 44 A 4.0041 7.8560 122.3565 55.1747 18.6776 179.3796 45 C 4.2375 7.9233 110.8343 60.7793 29.5972 176.0603 46 V 3.5935 7.6176 121.5086 65.5804 30.9635 176.2584 47 P 4.3495 0.0000 0.0000 65.3866 31.3111 177.7700 48 A 4.1855 7.3766 118.8083 53.5809 18.6464 177.0241 49 C 4.2059 7.4057 117.9417 58.0636 31.6576 172.6119 50 P 4.3130 0.0000 0.0000 65.0783 31.0732 177.4106 51 V 4.2179 7.6753 110.3772 60.2335 31.8924 175.0188 52 N 4.0471 7.7712 115.1420 54.3629 36.6325 175.1596 53 A 4.2223 7.8274 119.3690 53.5897 20.2446 178.0864 54 I 4.9035 7.4868 116.2789 60.2245 38.7539 175.0552 55 Y 4.8397 8.8192 123.4361 55.3883 42.5024 173.5169 56 P 4.2714 0.0000 0.0000 62.0953 32.5760 177.0306 57 E 3.9701 9.0320 123.1035 59.6677 29.5858 179.3631 58 E 4.0952 8.2293 116.2032 58.6135 29.6458 177.1297 59 D 4.8213 7.9681 116.7384 53.5443 41.4655 176.5342 60 V 3.3984 7.5179 120.1317 62.0925 32.0514 174.1083 61 P 4.0436 0.0000 0.0000 62.7493 31.4872 176.5610 62 E 3.9456 8.8835 122.3779 59.9864 29.0950 179.3565 63 Q 4.1869 7.7977 115.8464 57.3616 28.9889 177.2821 64 W 5.3100 8.1121 119.4488 56.6000 29.6796 177.6652 65 K 3.9989 7.9105 121.5422 59.7090 31.5277 179.1635 66 S 4.1935 8.2285 113.7931 61.3845 62.7766 175.8176 67 Y 4.0418 8.4379 120.2617 60.1367 37.5494 178.1580 68 I 3.7749 7.8435 121.6050 64.5189 37.3192 177.9847 69 E 3.9639 8.1255 119.6092 58.8235 29.4103 178.4711 70 K 3.8124 7.9075 119.5871 59.6120 32.2881 178.5037 71 N 4.3635 8.3684 116.7144 56.3436 38.3955 177.6344 72 R 3.8931 7.8640 119.3050 59.2679 30.2018 179.3070 73 K 3.8893 8.4359 118.5883 59.4207 31.7910 179.4681 74 L 3.6428 7.7215 118.3285 57.3305 41.4860 178.8062 75 A 4.2088 7.3160 118.5116 52.5521 18.3723 178.1037 76 G 3.7437 7.6972 105.3198 45.7093 0.0000 173.9432 77 L 4.2211 7.8537 125.0429 54.5445 41.7352 176.5599 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 P 0.00 4.74 0.00 2.22 2.49 0.00 3.86 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 2 H 8.80 5.08 0.00 3.12 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 9.73 4.58 2.22 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 1.15 0.00 0.00 1.03 0.00 0.00 4 I 8.85 4.47 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.97 0.00 0.00 5 C 8.65 3.84 0.00 2.60 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 0.00 0.00 0.00 0.00 6 E 6.02 3.17 0.00 1.16 1.12 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 2.18 2.24 0.00 7 P 0.00 4.16 0.00 1.94 2.14 0.00 3.07 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 8 C 7.70 4.18 0.00 2.86 2.87 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 9 I 6.84 4.42 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.86 0.94 0.00 0.00 10 G 9.12 3.97 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 0.00 0.00 0.00 11 V 7.44 4.06 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 0.89 0.00 0.00 0.95 0.00 0.00 12 K 8.25 3.86 0.00 1.94 1.99 0.00 1.96 0.00 0.00 1.73 0.00 0.00 3.22 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.64 1.58 7.81 13 D 7.89 4.26 0.00 2.55 2.62 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 14 Q 7.96 3.35 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.67 0.00 0.00 0.00 0.00 0.00 1.16 2.03 0.00 15 S 8.03 4.11 0.00 3.93 3.84 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 0.00 0.00 0.00 16 C 7.86 4.16 0.00 3.05 3.09 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 17 V 7.39 3.46 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 0.96 0.00 0.00 0.61 0.00 0.00 18 E 7.62 4.15 0.00 2.16 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 2.41 2.28 0.00 19 V 7.09 4.02 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 0.62 0.00 0.00 0.95 0.00 0.00 20 C 7.56 4.23 0.00 2.95 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.19 2.15 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 22 V 7.68 4.10 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 0.75 0.00 0.00 0.91 0.00 0.00 23 E 7.52 3.65 0.00 1.97 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 2.20 2.17 0.00 24 C 7.53 4.53 0.00 3.10 3.15 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 0.00 0.00 0.00 25 I 7.12 4.57 1.72 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 0.50 0.93 0.00 0.00 26 Y 8.13 4.79 0.00 1.86 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.43 3.37 0.00 2.11 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 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 0.00 0.00 0.00 0.00 29 G 8.66 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 0.00 0.00 0.00 0.00 30 D 8.75 4.56 0.00 2.87 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 31 Q 7.45 4.90 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 32 F 8.78 4.96 0.00 2.90 3.03 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 33 Y 8.89 5.16 0.00 3.21 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 34 I 8.76 4.78 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.68 1.04 0.00 0.00 35 H 9.31 4.51 0.00 3.66 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.37 0.00 2.14 2.17 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 37 E 8.43 4.27 0.00 2.09 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 2.42 2.37 0.00 38 E 8.15 4.41 0.00 2.03 2.02 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 2.22 2.13 0.00 39 C 8.10 4.07 0.00 3.08 2.92 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 0.00 0.00 0.00 0.00 40 I 8.37 4.24 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.77 0.92 0.00 0.00 41 D 7.95 4.46 0.00 2.92 2.84 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 0.00 0.00 0.00 42 C 8.20 4.06 0.00 3.05 3.04 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 0.00 0.00 0.00 43 G 8.11 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 44 A 7.86 4.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.92 4.24 0.00 3.10 3.13 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 46 V 7.62 3.59 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 0.96 0.00 0.00 47 P 0.00 4.35 0.00 2.23 2.14 0.00 3.94 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 2.06 2.00 0.00 48 A 7.38 4.19 1.30 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 0.00 0.00 49 C 7.41 4.21 0.00 2.95 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 50 P 0.00 4.31 0.00 2.19 2.14 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.12 0.00 51 V 7.68 4.22 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 0.75 0.00 0.00 0.90 0.00 0.00 52 N 7.77 4.05 0.00 2.93 2.83 0.00 0.00 6.84 6.66 0.00 0.00 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 A 7.83 4.22 1.19 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 0.00 0.00 54 I 7.49 4.90 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.59 0.96 0.00 0.00 55 Y 8.82 4.84 0.00 3.00 2.83 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 56 P 0.00 4.27 0.00 2.32 1.87 0.00 3.75 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 2.21 1.94 0.00 57 E 9.03 3.97 0.00 2.16 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 2.35 2.36 0.00 58 E 8.23 4.10 0.00 2.00 2.02 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 2.33 2.42 0.00 59 D 7.97 4.82 0.00 2.78 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 60 V 7.52 3.40 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 0.87 0.00 0.00 1.13 0.00 0.00 61 P 0.00 4.04 0.00 1.62 1.45 0.00 3.36 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.40 0.00 62 E 8.88 3.95 0.00 1.99 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 0.00 2.35 2.46 0.00 63 Q 7.80 4.19 0.00 1.55 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.08 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 64 W 8.11 5.31 0.00 3.27 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 65 K 7.91 4.00 0.00 1.85 1.92 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.70 1.73 7.81 66 S 8.23 4.19 0.00 3.90 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 67 Y 8.44 4.04 0.00 3.32 3.23 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 68 I 7.84 3.77 2.01 0.00 0.00 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 1.49 1.08 1.00 0.00 0.00 69 E 8.13 3.96 0.00 2.06 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 2.34 2.38 0.00 70 K 7.91 3.81 0.00 1.71 1.90 0.00 1.45 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.39 7.81 71 N 8.37 4.36 0.00 3.14 3.00 0.00 0.00 7.09 7.22 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 72 R 7.86 3.89 0.00 2.06 1.95 0.00 3.15 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 73 K 8.44 3.89 0.00 1.78 1.75 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.69 7.81 74 L 7.72 3.64 0.00 0.88 0.34 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.32 4.21 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.70 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 77 L 7.85 4.22 0.00 1.70 1.57 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00