NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3946 8.1627 120.3461 55.5141 34.2455 177.1092 2 E 3.9456 7.9235 118.4514 58.4166 29.6197 176.7369 3 T 3.8823 8.0344 116.1420 66.2068 69.0731 175.3298 4 L 3.8446 7.9145 121.5164 58.3650 41.9809 179.0124 5 K 3.7416 7.5779 118.0930 59.6320 32.0545 178.3578 6 I 3.5853 7.2576 119.9245 64.9783 37.0062 178.0956 7 T 3.8771 8.0691 116.0658 66.8717 68.3127 176.2958 8 V 3.6775 8.2724 120.0797 66.6339 31.2838 177.4203 9 Y 4.1782 8.3896 114.9899 61.5272 38.0906 178.5784 10 I 3.8765 8.2917 120.6672 64.5857 37.0732 178.2382 11 V 3.7998 8.3158 119.0427 66.6952 31.3608 178.4588 12 V 3.9394 8.3298 117.6334 65.9713 31.3219 178.2777 13 T 3.9035 8.1205 115.8697 67.2052 68.3677 175.4691 14 F 4.1520 8.6452 120.5908 62.2849 39.0629 176.6754 15 F 3.8166 8.2107 114.8004 60.9190 39.1284 178.2620 16 V 3.7321 8.1203 117.4097 65.6525 31.1712 178.2178 17 L 3.8347 8.4843 119.3220 57.8958 41.4300 179.0603 18 L 3.8603 7.9953 117.9041 58.0370 41.6170 179.4952 19 F 4.2238 8.2041 120.3128 61.1450 39.4394 177.6458 20 V 3.5119 7.8367 117.7913 66.0436 31.2830 177.7307 21 F 4.7614 7.9628 114.7595 59.2171 38.9784 177.2254 22 G 3.5540 7.6052 106.6881 47.4105 0.0000 176.2551 23 F 4.1556 7.4297 120.3036 59.3885 38.7204 177.7616 24 L 4.2037 7.9512 119.1900 57.4732 41.4137 180.2697 25 S 4.5908 7.8396 116.5723 57.5140 64.1467 174.7831 26 G 3.9376 9.6017 107.6448 46.8038 0.0000 174.5866 27 D 4.4603 8.2057 120.0726 56.8376 42.2410 176.2986 28 P 4.1934 0.0000 0.0000 65.6906 31.5829 176.9530 29 A 4.0367 7.4892 120.1154 55.3276 18.1094 178.1636 30 R 3.9938 7.8624 118.2921 57.4164 28.9742 175.9386 31 N 4.2015 8.3154 119.9111 51.6553 38.3254 172.5103 32 P 4.1281 0.0000 0.0000 65.3645 33.0110 178.7907 33 K 4.4209 7.2630 115.8249 56.2396 31.7207 179.8284 34 R 3.7759 8.2537 117.5741 55.7038 29.1313 175.7128 35 K 4.0964 8.4006 121.8315 57.3985 32.0215 175.3792 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 M 8.16 4.39 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 2 E 7.92 3.95 0.00 2.17 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 2.33 2.47 0.00 3 T 8.03 3.88 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 4 L 7.91 3.84 0.00 1.74 1.69 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.58 3.74 0.00 1.83 1.79 0.00 1.53 0.00 0.00 1.38 0.00 0.00 2.47 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.69 1.08 7.81 6 I 7.26 3.59 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.60 0.92 0.00 0.00 7 T 8.07 3.88 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 1.24 0.00 0.00 8 V 8.27 3.68 2.41 0.00 0.00 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 1.08 0.00 0.00 9 Y 8.39 4.18 0.00 3.14 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 10 I 8.29 3.88 2.06 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 1.70 1.12 0.93 0.00 0.00 11 V 8.32 3.80 2.40 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 1.33 0.00 0.00 1.07 0.00 0.00 12 V 8.33 3.94 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 0.96 0.00 0.00 1.04 0.00 0.00 13 T 8.12 3.90 4.47 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 1.27 0.00 0.00 14 F 8.65 4.15 0.00 2.87 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 15 F 8.21 3.82 0.00 3.17 3.07 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 0.00 0.00 0.00 16 V 8.12 3.73 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 1.04 0.00 0.00 0.96 0.00 0.00 17 L 8.48 3.83 0.00 1.92 1.87 1.07 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.00 3.86 0.00 1.56 1.62 -0.28 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.20 4.22 0.00 3.26 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 3.51 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.10 0.00 0.00 21 F 7.96 4.76 0.00 3.18 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 22 G 7.61 3.55 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 0.00 0.00 0.00 23 F 7.43 4.16 0.00 2.87 2.96 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 24 L 7.95 4.20 0.00 1.92 1.81 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.84 4.59 0.00 3.98 3.87 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 26 G 9.60 3.94 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 0.00 0.00 0.00 27 D 8.21 4.46 0.00 3.14 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 28 P 0.00 4.19 0.00 2.09 2.14 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 29 A 7.49 4.04 1.38 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 0.00 0.00 30 R 7.86 3.99 0.00 1.95 1.95 0.00 3.22 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 31 N 8.32 4.20 0.00 2.81 2.79 0.00 0.00 6.25 7.75 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 32 P 0.00 4.13 0.00 2.06 2.12 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 33 K 7.26 4.42 0.00 1.73 0.80 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.37 7.81 34 R 8.25 3.78 0.00 1.85 1.87 0.00 3.30 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 35 K 8.40 4.10 0.00 1.84 1.76 0.00 1.62 0.00 0.00 1.97 0.00 0.00 3.21 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.41 7.81