NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4891 8.1627 118.3285 55.3504 33.6662 173.1966 2 Q 4.9045 8.3089 119.6931 52.5270 31.9958 172.5434 3 I 4.9827 9.3776 119.7260 59.3359 42.6568 173.0571 4 F 5.2115 9.1097 120.5116 55.6036 42.2244 174.7616 5 V 4.7824 9.2982 123.5127 61.0615 34.0845 174.0065 6 K 4.8413 9.0674 130.9281 54.8207 33.4601 176.1548 7 T 4.7628 8.2505 118.8532 60.5073 69.9145 175.6194 8 L 4.1837 8.2817 121.5261 58.0645 40.8119 178.4941 9 T 3.9484 7.7924 109.5382 64.0067 69.0752 174.2234 10 G 3.8293 7.5067 111.8899 45.7540 0.0000 174.9428 11 K 4.0765 8.1655 120.2521 56.5797 32.6412 175.4676 12 T 4.8180 8.4221 119.9418 62.0797 70.3099 173.8413 13 I 4.4492 9.1058 127.9436 60.2228 39.4664 174.7394 14 T 4.7289 8.3992 122.6375 61.7806 70.2631 173.7163 15 L 4.6484 8.5362 127.9473 53.0588 45.6032 174.7218 16 E 4.6984 8.7627 127.2289 55.5971 30.1332 175.1640 17 V 4.6531 8.9893 120.0044 59.7407 36.2671 174.4648 18 E 4.7904 8.3413 118.8219 54.0598 33.3131 175.9741 19 P 4.2654 0.0000 0.0000 65.2543 31.5925 178.2160 20 S 4.6022 7.8489 110.1818 58.2612 63.9484 174.0829 21 D 4.4304 7.8300 122.6472 54.6812 41.3018 176.3285 22 T 4.8732 8.1001 113.7082 60.5516 71.9548 176.1275 23 I 3.6752 7.7451 120.9083 64.5544 37.0471 178.4876 24 E 3.9344 8.2298 118.9268 59.6142 29.0608 178.9915 25 N 4.2967 7.7214 115.0322 56.2963 38.8796 177.4217 26 V 3.6893 7.6131 119.2869 66.1146 31.2786 178.3212 27 K 4.3911 8.9758 119.4917 58.7083 31.2520 179.0923 28 A 3.8309 7.9949 121.0938 54.7243 18.2746 179.7785 29 K 4.0216 8.1508 117.3185 59.4842 32.0973 179.5323 30 I 3.9381 7.6861 119.5293 63.8258 36.6319 177.9037 31 Q 4.1538 7.6631 120.5551 59.2064 28.5872 177.9818 32 D 4.3947 7.5487 118.3741 56.6524 40.8650 178.4677 33 K 4.1771 7.4201 116.7578 58.7235 32.5845 178.0163 34 E 4.4741 8.3270 116.5414 57.4407 31.3021 177.7129 35 G 4.1454 8.3739 105.6908 47.3993 0.0000 174.7645 36 I 4.2724 7.2884 120.1823 57.9510 37.9856 173.4901 37 P 4.1381 0.0000 0.0000 62.0082 31.7796 175.9094 38 P 4.2814 0.0000 0.0000 65.5861 31.4742 178.2936 39 D 4.3476 8.0826 116.4166 55.6763 39.8410 176.8287 40 Q 4.4346 8.2737 117.6917 55.7313 29.2253 174.6493 41 Q 4.7421 7.6346 118.4415 54.8335 31.1847 175.1834 42 R 4.7046 8.6708 120.9061 54.6302 33.8430 174.1489 43 L 5.1318 8.4847 124.2448 53.1951 44.2514 175.8496 44 I 5.0125 8.8980 123.5742 59.4941 41.4888 174.3926 45 F 5.1085 8.9340 126.1272 57.0542 42.4982 174.4992 46 A 3.6754 9.6516 129.0979 53.3761 15.9742 177.0112 47 G 4.0166 8.4659 105.9422 46.4441 0.0000 174.2946 48 K 4.5306 8.3624 121.9310 54.0065 34.4588 174.6377 49 Q 4.4836 8.6600 127.9573 56.0281 29.6360 175.3408 50 L 3.7550 8.2445 127.0654 54.4790 42.6864 176.1256 51 E 4.6803 9.4107 123.4713 54.2977 31.7217 175.4702 52 D 4.4071 8.8833 124.3927 56.4168 41.2443 177.1212 53 G 4.1177 8.6097 110.3850 45.1668 0.0000 173.5262 54 R 4.6769 7.8902 118.6735 54.2763 33.2960 175.7757 55 T 4.6858 8.1847 111.3320 60.7302 70.5131 175.8050 56 L 4.1915 8.4191 121.3386 57.5970 41.5225 179.8986 57 S 4.1923 7.9778 114.0749 61.2629 62.5169 176.4567 58 D 4.3291 7.4106 121.2075 57.4280 40.7272 177.6235 59 Y 4.3884 7.7954 112.8466 57.4307 38.2550 174.7937 60 N 4.1944 7.7046 116.0868 54.4994 37.9616 174.0037 61 I 3.5897 7.5443 117.7251 60.6259 36.9965 175.2286 62 Q 4.9562 8.1659 128.2288 54.0378 31.2558 174.6756 63 K 4.2414 8.5109 118.8354 59.0229 33.1537 177.0360 64 E 4.1529 9.0009 120.3755 56.8055 28.2343 174.9782 65 S 4.6098 7.6732 115.0540 58.9974 64.2962 173.2656 66 T 5.2631 8.8111 118.8719 61.9781 71.0452 173.2497 67 L 5.0052 9.2476 127.0710 53.4865 43.9065 175.8418 68 H 4.9350 8.9167 121.0061 55.4934 30.3424 174.2855 69 L 5.1216 8.3901 123.8531 53.3187 44.3590 175.8088 70 V 3.9944 8.9588 127.8744 62.2172 33.0532 175.0817 71 L 4.3305 8.5204 128.2500 53.3880 41.6969 176.9391 72 R 4.1697 8.2193 122.0543 56.6579 29.7844 176.8020 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 4.49 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 2 Q 8.31 4.90 0.00 2.12 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 1.93 2.23 0.00 3 I 9.38 4.98 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.55 0.89 0.00 0.00 4 F 9.11 5.21 0.00 2.96 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 5 V 9.30 4.78 2.10 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 1.00 0.00 0.00 0.93 0.00 0.00 6 K 9.07 4.84 0.00 1.78 1.51 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.34 7.81 7 T 8.25 4.76 4.25 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 1.22 0.00 0.00 8 L 8.28 4.18 0.00 1.77 1.86 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.79 3.95 4.25 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 1.22 0.00 0.00 10 G 7.51 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 11 K 8.17 4.08 0.00 1.84 1.76 0.00 1.64 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.47 7.81 12 T 8.42 4.82 4.34 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 1.41 0.00 0.00 13 I 9.11 4.45 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 0.90 0.00 0.00 14 T 8.40 4.73 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 15 L 8.54 4.65 0.00 1.63 1.37 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.76 4.70 0.00 1.94 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 2.22 2.35 0.00 17 V 8.99 4.65 2.04 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 0.69 0.00 0.00 0.91 0.00 0.00 18 E 8.34 4.79 0.00 2.03 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 19 P 0.00 4.27 0.00 2.16 2.09 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 20 S 7.85 4.60 0.00 3.97 3.96 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 21 D 7.83 4.43 0.00 2.96 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.10 4.87 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 23 I 7.75 3.68 2.04 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 1.75 1.18 0.92 0.00 0.00 24 E 8.23 3.93 0.00 2.05 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 2.41 2.62 0.00 25 N 7.72 4.30 0.00 2.88 2.87 0.00 0.00 7.02 9.02 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 26 V 7.61 3.69 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 0.99 0.00 0.00 0.95 0.00 0.00 27 K 8.98 4.39 0.00 1.86 1.84 0.00 1.71 0.00 0.00 1.97 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.31 7.81 28 A 7.99 3.83 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.15 4.02 0.00 1.97 1.84 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.76 7.81 30 I 7.69 3.94 1.86 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 1.51 0.56 0.91 0.00 0.00 31 Q 7.66 4.15 0.00 1.99 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 32 D 7.55 4.39 0.00 2.91 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 33 K 7.42 4.18 0.00 1.76 1.84 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.59 7.81 34 E 8.33 4.47 0.00 1.97 1.97 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 2.25 2.44 0.00 35 G 8.37 4.15 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 0.00 0.00 0.00 36 I 7.29 4.27 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 1.41 0.71 0.91 0.00 0.00 37 P 0.00 4.14 0.00 2.21 2.02 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 38 P 0.00 4.28 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 39 D 8.08 4.35 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 40 Q 8.27 4.43 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 41 Q 7.63 4.74 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 42 R 8.67 4.70 0.00 1.91 1.80 0.00 3.10 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.48 5.13 0.00 1.54 1.52 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.90 5.01 1.89 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 1.11 1.08 0.92 0.00 0.00 45 F 8.93 5.11 0.00 2.95 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.65 3.68 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.47 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 48 K 8.36 4.53 0.00 1.82 1.78 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.46 7.81 49 Q 8.66 4.48 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 L 8.24 3.76 0.00 1.42 1.19 0.71 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.41 4.68 0.00 2.01 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 0.00 2.30 2.39 0.00 52 D 8.88 4.41 0.00 2.68 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 53 G 8.61 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 54 R 7.89 4.68 0.00 2.18 1.96 0.00 3.10 0.00 0.00 3.02 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 55 T 8.18 4.69 4.25 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 1.26 0.00 0.00 56 L 8.42 4.19 0.00 1.93 1.71 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.98 4.19 0.00 4.03 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 0.00 58 D 7.41 4.33 0.00 2.62 2.33 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 59 Y 7.80 4.39 0.00 2.92 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 60 N 7.70 4.19 0.00 2.98 3.08 0.00 0.00 7.16 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.54 3.59 1.63 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.17 0.52 0.00 0.00 62 Q 8.17 4.96 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.10 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 63 K 8.51 4.24 0.00 1.88 1.83 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.50 7.81 64 E 9.00 4.15 0.00 2.28 2.33 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 2.43 2.38 0.00 65 S 7.67 4.61 0.00 3.97 3.92 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 66 T 8.81 5.26 4.34 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 1.30 0.00 0.00 67 L 9.25 5.01 0.00 1.58 1.74 0.85 0.83 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 68 H 8.92 4.94 0.00 3.18 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.39 5.12 0.00 1.62 1.54 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.96 3.99 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 0.89 0.00 0.00 0.94 0.00 0.00 71 L 8.52 4.33 0.00 1.55 1.64 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.22 4.17 0.00 1.86 1.89 0.00 3.36 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00