NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6167 8.3249 122.8258 58.0677 40.2046 173.9798 2 V 4.3774 7.3824 120.2503 59.7638 35.2967 174.3054 3 N 4.6609 8.7762 118.2015 51.9140 40.4521 174.9924 4 Q 4.2367 7.8732 116.2125 55.4045 29.9774 175.6835 5 H 4.4505 8.4145 117.5118 55.5440 29.7421 177.2908 6 L 4.4644 8.3024 125.7208 54.0411 39.6411 175.5867 7 C 4.8129 7.6761 118.3930 56.1370 44.2344 175.0097 8 G 3.6462 8.4516 108.7506 47.3956 0.0000 176.5836 9 S 4.0123 8.5596 115.3188 61.4414 63.5080 175.8491 10 H 4.1701 8.3260 119.5644 59.0297 29.5714 176.7893 11 L 3.8718 7.8876 122.1372 58.0297 41.7509 179.2178 12 V 3.4498 7.1739 116.5749 66.1129 31.5540 177.8203 13 E 4.1488 8.0701 117.7636 59.3820 29.1846 179.2052 14 A 3.9516 8.2777 121.1604 55.1731 18.4552 179.6197 15 L 3.8377 7.6996 117.2519 58.2185 41.7702 179.4919 16 Y 4.3026 7.6090 116.6820 60.9617 37.5741 178.4724 17 L 4.0499 7.9672 119.0869 57.7813 41.8406 179.5436 18 V 3.7270 7.8154 117.0519 66.2557 31.5634 177.2813 19 C 4.4413 8.4271 116.2109 59.6067 39.9690 176.0821 20 G 4.5548 8.0102 105.4698 46.3109 0.0000 172.8946 21 E 4.8351 8.0325 116.5967 54.5496 33.1718 176.1386 22 R 4.0723 8.3612 118.2943 55.9079 31.1210 177.8862 23 G 3.5579 7.9717 107.9231 48.1183 0.0000 174.3526 24 F 4.3173 7.6975 115.0223 55.9228 38.6580 175.5720 25 F 4.1937 8.7030 123.8194 58.2016 39.6472 174.4085 26 Y 3.4448 8.3403 120.6053 57.8581 36.0167 168.5293 27 T 4.7297 7.5699 115.8760 61.3212 73.0848 172.6232 28 P 4.6596 0.0000 0.0000 62.1319 32.4756 176.7861 29 K 4.1718 8.6306 118.0865 59.8834 31.9726 179.5859 30 T 3.5165 7.3940 108.8495 62.0929 68.0070 172.6098 31 R 4.2046 8.2975 119.3564 56.2280 31.1050 176.8853 32 R 3.8827 8.6495 122.2723 57.7883 27.6886 176.9158 33 Y 4.0494 8.1949 116.7312 60.7174 38.9402 176.3758 34 P 4.5045 0.0000 0.0000 59.3361 29.4388 174.0091 35 G 3.8340 7.4577 116.7063 45.6119 0.0000 170.1510 36 D 4.5226 8.1020 127.9706 53.5822 40.8485 175.2620 37 V 4.3161 7.5519 121.1017 60.6477 34.8534 174.0802 38 K 4.2353 8.4263 120.2912 56.9863 32.6914 177.5638 39 R 4.0387 8.4697 122.1839 59.2259 30.5478 176.5354 40 G 3.5135 8.1966 110.2451 46.0971 0.0000 175.7616 41 I 3.6640 7.5354 121.3829 64.1826 37.2525 178.1022 42 V 3.6212 7.5744 118.6996 65.8745 31.4938 177.4560 43 E 3.9015 8.1103 118.6530 59.2703 29.1747 178.3522 44 Q 3.9907 7.9926 119.6675 59.4144 28.9334 177.4292 45 C 4.3152 7.7876 115.6190 59.0478 40.3906 174.9642 46 C 4.3904 7.7966 118.4640 59.9745 39.8426 175.1239 47 T 4.0658 7.8285 109.7599 63.7589 69.3387 173.7549 48 S 4.8981 7.4059 116.9903 56.7069 64.6983 172.3857 49 I 4.4764 7.5974 119.6891 59.9776 39.1529 174.5439 50 C 4.9673 8.9562 122.8546 55.7511 35.6100 173.8585 51 S 4.5612 8.5430 118.1808 57.3438 64.1564 174.7843 52 L 3.9847 8.5130 122.4039 58.5208 41.4803 178.4826 53 Y 4.1094 8.0761 119.1072 60.7900 38.6884 178.0217 54 Q 3.8135 8.1905 118.5729 58.7564 28.9002 178.6136 55 L 4.2050 7.9383 119.5526 57.9831 41.5116 179.2072 56 E 3.8349 7.6907 117.0657 59.3232 29.6481 178.7003 57 N 4.1492 7.4683 116.7934 56.8418 38.7632 176.6436 58 Y 4.2173 7.2665 116.8499 60.6774 38.0105 176.7913 59 C 4.1126 7.5736 116.6037 56.7110 43.9626 172.9964 60 N 4.4019 7.6680 122.1751 54.3236 38.0851 174.6833 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 F 8.32 4.62 0.00 3.03 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 2 V 7.38 4.38 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 0.83 0.00 0.00 0.81 0.00 0.00 3 N 8.78 4.66 0.00 2.60 2.68 0.00 0.00 6.84 7.48 0.00 0.00 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 Q 7.87 4.24 0.00 1.75 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.16 0.00 5 H 8.41 4.45 0.00 3.16 3.24 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.30 4.46 0.00 1.66 1.64 1.01 0.86 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 7 C 7.68 4.81 0.00 2.95 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 8 G 8.45 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.56 4.01 0.00 3.92 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 10 H 8.33 4.17 0.00 3.25 3.50 0.00 5.87 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 11 L 7.89 3.87 0.00 1.77 1.74 0.76 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.17 3.45 2.28 0.00 0.00 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 0.91 0.00 0.00 13 E 8.07 4.15 0.00 2.15 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 2.51 2.52 0.00 14 A 8.28 3.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.70 3.84 0.00 1.55 1.50 0.54 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.61 4.30 0.00 3.19 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.97 4.05 0.00 1.80 1.76 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.82 3.73 2.11 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 0.88 0.00 0.00 0.96 0.00 0.00 19 C 8.43 4.44 0.00 3.25 3.06 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 20 G 8.01 4.55 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 21 E 8.03 4.84 0.00 2.03 1.91 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 2.29 2.56 0.00 22 R 8.36 4.07 0.00 1.68 1.79 0.00 3.18 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 23 G 7.97 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.70 4.32 0.00 3.07 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 25 F 8.70 4.19 0.00 3.19 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.34 3.44 0.00 3.55 3.06 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 27 T 7.57 4.73 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 28 P 0.00 4.66 0.00 2.28 2.16 0.00 3.88 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 29 K 8.63 4.17 0.00 1.76 1.87 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.37 7.81 30 T 7.39 3.52 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 1.11 0.00 0.00 31 R 8.30 4.20 0.00 1.93 1.91 0.00 3.46 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 32 R 8.65 3.88 0.00 1.99 2.01 0.00 3.23 0.00 0.00 3.33 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 33 Y 8.19 4.05 0.00 2.89 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 34 P 0.00 4.50 0.00 2.21 2.15 0.00 3.98 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 35 G 7.46 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 36 D 8.10 4.52 0.00 2.61 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 4.32 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 0.80 0.00 0.00 1.00 0.00 0.00 38 K 8.43 4.24 0.00 1.73 1.71 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 39 R 8.47 4.04 0.00 1.80 2.02 0.00 3.30 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 40 G 8.20 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.54 3.66 1.65 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 1.53 0.56 -0.06 0.00 0.00 42 V 7.57 3.62 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 0.93 0.00 0.00 0.79 0.00 0.00 43 E 8.11 3.90 0.00 2.06 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 0.00 2.37 2.36 0.00 44 Q 7.99 3.99 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 45 C 7.79 4.32 0.00 3.19 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 46 C 7.80 4.39 0.00 3.10 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 47 T 7.83 4.07 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 1.21 0.00 0.00 48 S 7.41 4.90 0.00 4.04 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 49 I 7.60 4.48 1.85 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 0.99 0.66 0.85 0.00 0.00 50 C 8.96 4.97 0.00 3.02 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 51 S 8.54 4.56 0.00 4.05 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 52 L 8.51 3.98 0.00 1.74 1.75 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.08 4.11 0.00 3.13 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 54 Q 8.19 3.81 0.00 2.48 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 55 L 7.94 4.21 0.00 1.90 1.73 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.69 3.83 0.00 1.84 1.80 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 2.25 2.40 0.00 57 N 7.47 4.15 0.00 2.19 2.31 0.00 0.00 6.99 8.61 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 58 Y 7.27 4.22 0.00 3.20 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 59 C 7.57 4.11 0.00 2.91 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.67 4.40 0.00 2.85 2.61 0.00 0.00 6.61 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00