NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4068 8.3044 120.3487 55.1149 33.4689 174.7175 2 V 3.5434 8.7529 126.5228 64.9572 31.6376 174.5902 3 I 4.4140 7.9028 120.9925 59.4263 40.9267 174.4133 4 A 4.6341 8.6970 128.4442 50.7362 20.8867 177.8115 5 T 3.8886 8.3974 115.8469 66.9684 68.1691 176.4836 6 D 4.3366 8.0845 118.1754 56.8372 41.3131 177.0618 7 D 4.5929 7.9519 117.5173 55.4647 41.4183 176.7281 8 L 4.6931 8.0946 119.8662 55.7435 43.8283 176.2538 9 E 5.3133 7.9326 113.7859 55.2977 32.9632 174.5609 10 T 4.7755 8.9852 109.8991 59.9996 72.9010 173.1198 11 T 4.2581 8.6438 118.6243 64.5052 69.3988 173.4165 12 C 4.3479 9.0962 127.6764 58.7111 31.8911 172.7962 13 P 4.3515 0.0000 0.0000 65.3006 31.3670 177.1301 14 N 4.4714 8.2135 117.3933 55.5371 39.3963 174.9124 15 C 4.6248 7.9150 109.8769 56.8683 30.4354 173.2847 16 N 4.1487 9.2573 117.0970 54.8553 37.4105 174.8979 17 G 4.0628 8.4908 104.4555 44.6650 0.0000 175.4949 18 S 4.1217 7.7930 113.5731 59.1651 63.4983 175.8344 19 G 3.9503 8.3426 108.0632 45.4944 0.0000 172.8347 20 R 4.9080 7.5582 117.2777 54.4778 33.8143 175.5916 21 E 4.6603 9.1195 119.5763 56.6088 29.6148 174.3757 22 E 3.9391 7.3113 117.6723 54.7951 30.5480 175.8338 23 P 4.6782 0.0000 0.0000 62.6202 31.9033 175.0652 24 E 4.6373 7.7313 118.8585 54.0083 31.7405 173.6662 25 P 4.6417 0.0000 0.0000 62.2678 32.4087 175.7567 26 C 4.2494 8.4197 120.2734 58.9332 31.8721 172.8781 27 P 4.4027 0.0000 0.0000 64.5991 31.3581 177.3613 28 K 4.1768 8.0313 118.8230 57.8557 32.6799 176.6654 29 C 4.6906 7.8239 110.4252 56.5704 30.5095 173.2068 30 L 3.6992 8.9313 121.0249 56.4181 40.4391 175.2626 31 G 4.5035 8.4412 104.0238 45.2759 0.0000 175.0594 32 K 4.0148 7.8549 119.0116 57.1958 32.4582 178.5093 33 G 4.0204 8.7377 106.0407 45.1487 0.0000 172.7255 34 V 5.1670 7.2729 111.0832 59.4731 35.8412 174.5530 35 I 4.7012 8.8169 115.8076 58.8894 41.0915 174.6197 36 L 4.7972 8.4054 122.8869 54.8114 42.7816 177.9415 37 T 4.3322 8.4699 113.4762 60.6345 71.8519 175.7691 38 A 3.9706 8.3248 121.4865 55.3127 18.3206 179.4713 39 Q 3.9868 8.0797 117.7527 59.2547 29.2104 178.4128 40 G 3.6425 8.0738 106.7650 47.9542 0.0000 175.4568 41 S 4.1266 8.2161 115.7747 61.2980 62.2420 176.3627 42 T 3.8871 8.0218 118.2973 66.6433 68.1613 176.6134 43 L 4.0853 7.8946 120.7211 57.7158 41.7051 179.2606 44 L 3.9581 8.1178 120.3114 58.6301 42.1917 178.3949 45 H 4.0908 8.4489 118.1053 59.2015 29.5297 177.0261 46 F 4.2688 8.0896 122.5312 61.3161 39.2391 177.1659 47 I 3.4138 8.0413 119.5742 64.4145 36.8767 178.5057 48 K 3.8291 8.0512 119.1698 59.4246 31.6097 179.3341 49 K 3.6762 7.5762 118.6325 59.3410 32.1411 177.9719 50 H 4.3451 7.4516 115.0945 57.2706 29.1996 176.7930 51 I 4.0527 7.9838 120.4031 60.8513 37.2284 177.9042 52 H 4.5220 7.7178 116.6736 56.1376 28.0610 174.1272 53 E 4.1956 10.7800 121.6371 56.1708 29.3840 175.2148 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 8.30 4.41 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.69 0.00 2 V 8.75 3.54 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 3 I 7.90 4.41 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.91 0.00 0.00 4 A 8.70 4.63 1.26 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 0.00 0.00 5 T 8.40 3.89 4.24 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 1.21 0.00 0.00 6 D 8.08 4.34 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.95 4.59 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.09 4.69 0.00 1.71 1.69 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.93 5.31 0.00 2.01 1.87 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 2.32 2.31 0.00 10 T 8.99 4.78 4.24 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 1.21 0.00 0.00 11 T 8.64 4.26 4.24 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 1.21 0.00 0.00 12 C 9.10 4.35 0.00 2.98 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 13 P 0.00 4.35 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 14 N 8.21 4.47 0.00 2.69 2.88 0.00 0.00 6.81 7.65 0.00 0.00 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 C 7.92 4.62 0.00 3.22 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 16 N 9.26 4.15 0.00 2.86 2.89 0.00 0.00 7.41 7.71 0.00 0.00 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 G 8.49 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.79 4.12 0.00 4.03 4.01 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 19 G 8.34 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 0.00 0.00 0.00 20 R 7.56 4.91 0.00 1.79 1.81 0.00 3.27 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 21 E 9.12 4.66 0.00 1.87 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 22 E 7.31 3.94 0.00 2.01 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 2.32 2.30 0.00 23 P 0.00 4.68 0.00 2.17 2.13 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 24 E 7.73 4.64 0.00 2.03 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 2.24 2.36 0.00 25 P 0.00 4.64 0.00 2.18 2.05 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 26 C 8.42 4.25 0.00 2.98 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 27 P 0.00 4.40 0.00 2.08 2.09 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 28 K 8.03 4.18 0.00 1.71 1.82 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.42 7.81 29 C 7.82 4.69 0.00 3.26 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 30 L 8.93 3.70 0.00 1.75 1.73 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.44 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.85 4.01 0.00 1.92 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.38 7.81 33 G 8.74 4.02 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 0.00 0.00 0.00 34 V 7.27 5.17 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 0.78 0.00 0.00 0.99 0.00 0.00 35 I 8.82 4.70 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.28 0.91 0.00 0.00 36 L 8.41 4.80 0.00 1.57 1.64 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.47 4.33 4.24 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 1.25 0.00 0.00 38 A 8.32 3.97 1.33 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 0.00 0.00 0.00 39 Q 8.08 3.99 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 40 G 8.07 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.22 4.13 0.00 3.96 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 42 T 8.02 3.89 4.40 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 1.19 0.00 0.00 43 L 7.89 4.09 0.00 1.76 1.79 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.12 3.96 0.00 1.86 1.71 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.45 4.09 0.00 3.35 3.38 0.00 5.64 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 46 F 8.09 4.27 0.00 3.19 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.04 3.41 1.87 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 1.86 0.88 0.87 0.00 0.00 48 K 8.05 3.83 0.00 1.81 1.78 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.43 7.81 49 K 7.58 3.68 0.00 1.70 1.80 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.12 1.31 7.81 50 H 7.45 4.35 0.00 2.69 3.14 0.00 5.69 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.98 4.05 1.88 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 1.46 0.90 0.92 0.00 0.00 52 H 7.72 4.52 0.00 3.19 3.36 0.00 5.93 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 10.78 4.20 0.00 1.92 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 0.00 2.25 2.23 0.00