NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5348 8.1627 118.3414 54.9783 33.6187 173.6622 2 K 4.5938 8.4615 121.9980 55.7821 33.7147 170.6500 3 V 5.0532 9.8989 121.1574 59.7113 37.0511 173.8434 4 I 4.9768 8.4622 123.1619 59.6389 39.3640 175.2885 5 F 4.4351 9.5256 127.4406 57.5671 39.3514 176.2772 6 L 4.5568 9.1019 123.6068 55.5910 42.5469 176.7618 7 K 4.7974 7.8905 116.0709 54.4867 36.3940 175.7929 8 D 4.6486 8.8008 122.4283 54.7099 41.8218 176.2658 9 V 4.4422 9.5040 123.1510 60.6351 34.4403 174.8082 10 K 4.1256 8.8167 130.0953 57.9303 32.4443 176.6550 11 G 4.0641 9.2128 114.9507 45.0289 0.0000 173.6915 12 K 4.2935 7.4521 116.1871 57.1059 34.3493 176.0090 13 G 2.8819 7.4121 105.4022 44.8115 0.0000 172.0072 14 K 4.5879 7.4706 118.0045 53.4683 35.1200 176.1767 15 K 4.1782 8.7671 123.3407 58.6886 32.2871 176.1282 16 G 4.1592 9.2426 115.0291 45.4736 0.0000 173.7745 17 E 4.2821 8.3507 119.2849 56.3384 30.8773 176.1718 18 I 5.1853 8.2327 123.9108 59.7508 39.2921 174.8585 19 K 4.5972 8.9867 125.2672 55.9587 36.4602 174.0156 20 N 5.2467 8.6914 119.4347 53.3113 39.7736 174.1801 21 V 4.7543 8.6375 117.4492 59.1588 36.6350 175.0929 22 A 4.1354 8.5665 124.4872 52.5191 19.0234 178.6470 23 D 4.4742 8.9299 122.1047 57.5056 41.0025 179.6366 24 G 3.6020 8.0704 105.7331 47.6780 0.0000 175.0985 25 Y 4.0940 7.9921 121.1907 60.3426 38.9470 177.2108 26 A 3.3107 8.0121 121.6722 55.0681 18.7462 179.3601 27 N 4.2795 8.1394 115.0028 56.3774 38.5191 176.9266 28 N 4.4568 7.9524 114.6997 54.2273 39.3226 174.5232 29 F 4.7395 7.5438 120.0446 58.9087 42.2530 176.4144 30 L 3.3859 7.6939 119.4610 57.7827 41.6012 179.9049 31 F 4.4217 7.9384 117.8925 60.5177 38.6237 177.6450 32 K 3.9417 7.2534 117.2457 59.0747 32.0386 177.8216 33 Q 4.3976 7.7737 115.1688 54.7025 28.9509 175.8670 34 G 3.8664 7.6245 107.8405 46.6101 0.0000 174.9919 35 L 4.3958 8.1211 121.8458 55.8860 43.0007 176.3281 36 A 5.0253 7.6209 118.2249 50.6545 22.4700 174.9312 37 I 4.5454 8.3551 111.7522 58.5438 41.5387 174.5725 38 E 4.3497 8.2131 123.7584 55.7414 30.1035 176.6862 39 A 4.5836 8.2916 129.7154 51.9499 17.4236 177.6788 40 T 4.2849 7.6493 111.4542 60.6338 71.0410 174.1025 41 P 4.2052 0.0000 0.0000 66.0810 31.3020 178.7054 42 A 3.9921 7.9687 118.6869 55.3606 18.2244 179.3095 43 N 4.3315 7.9784 114.4949 56.2114 38.5250 177.7730 44 L 3.9956 8.0776 120.5541 57.5446 41.7171 179.6086 45 K 3.9111 8.0392 118.1858 59.5270 32.0653 179.2113 46 A 3.9917 7.9639 120.9146 55.0345 18.2853 179.4670 47 L 3.8798 8.2631 119.1739 58.3799 41.9884 178.9882 48 E 3.9669 8.2990 117.4515 59.3794 29.4407 178.8479 49 A 4.1276 7.8747 119.8603 55.2632 18.5442 179.2753 50 Q 4.1502 7.8665 114.8169 57.7853 29.0454 176.9559 51 K 4.2291 7.9719 123.8523 56.7745 32.2863 176.3696 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 4.53 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 2 K 8.46 4.59 0.00 1.99 1.76 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.59 7.81 3 V 9.90 5.05 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 0.82 0.00 0.00 0.63 0.00 0.00 4 I 8.46 4.98 1.88 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 1.26 0.72 0.96 0.00 0.00 5 F 9.53 4.44 0.00 3.18 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.10 4.56 0.00 1.57 1.73 0.90 0.77 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 7 K 7.89 4.80 0.00 1.65 1.70 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.48 7.81 8 D 8.80 4.65 0.00 2.58 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 9 V 9.50 4.44 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 1.29 0.00 0.00 10 K 8.82 4.13 0.00 1.79 1.74 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.45 7.81 11 G 9.21 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 12 K 7.45 4.29 0.00 2.04 2.06 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.40 7.81 13 G 7.41 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.47 4.59 0.00 1.73 1.62 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.20 7.81 15 K 8.77 4.18 0.00 1.76 1.80 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.53 7.81 16 G 9.24 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.35 4.28 0.00 2.06 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 2.32 2.36 0.00 18 I 8.23 5.19 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.66 1.01 0.00 0.00 19 K 8.99 4.60 0.00 1.88 1.96 0.00 1.50 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.67 1.63 7.81 20 N 8.69 5.25 0.00 2.78 2.78 0.00 0.00 6.72 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 21 V 8.64 4.75 2.24 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 0.98 0.00 0.00 1.00 0.00 0.00 22 A 8.57 4.14 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 23 D 8.93 4.47 0.00 2.72 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 24 G 8.07 3.60 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 0.00 0.00 0.00 25 Y 7.99 4.09 0.00 3.04 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 26 A 8.01 3.31 0.70 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 0.00 0.00 27 N 8.14 4.28 0.00 2.78 2.91 0.00 0.00 7.07 7.05 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 28 N 7.95 4.46 0.00 2.87 2.88 0.00 0.00 6.80 6.80 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 29 F 7.54 4.74 0.00 2.72 2.35 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 30 L 7.69 3.39 0.00 1.18 1.33 0.72 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.94 4.42 0.00 2.97 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 7.25 3.94 0.00 1.76 1.93 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.52 7.81 33 Q 7.77 4.40 0.00 1.63 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.32 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 34 G 7.62 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 0.00 0.00 0.00 35 L 8.12 4.40 0.00 1.29 1.65 0.23 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.62 5.03 0.76 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 0.00 0.00 0.00 0.00 0.00 37 I 8.36 4.55 1.72 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 1.08 1.04 0.83 0.00 0.00 38 E 8.21 4.35 0.00 1.64 1.78 0.00 0.00 0.00 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 2.31 0.00 39 A 8.29 4.58 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.65 4.28 4.22 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 0.00 0.00 0.00 1.18 0.00 0.00 41 P 0.00 4.21 0.00 2.17 2.16 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 42 A 7.97 3.99 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 43 N 7.98 4.33 0.00 2.94 2.83 0.00 0.00 7.03 6.07 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 44 L 8.08 4.00 0.00 1.82 1.72 0.93 0.80 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 45 K 8.04 3.91 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.68 7.81 46 A 7.96 3.99 1.34 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 0.00 0.00 47 L 8.26 3.88 0.00 1.84 1.84 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.30 3.97 0.00 2.09 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 2.35 2.34 0.00 49 A 7.87 4.13 1.35 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 0.00 0.00 50 Q 7.87 4.15 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 51 K 7.97 4.23 0.00 1.89 1.74 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.70 7.81