NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 C 4.6401 8.4393 120.6366 56.6283 44.5361 171.3437 6 R 4.6610 7.3056 116.0962 53.7813 33.1554 174.5943 7 C 4.6358 9.2837 116.7566 57.0873 41.6361 175.4252 8 Q 4.1586 9.0826 120.8992 56.4596 28.9576 175.4183 9 C 5.0673 8.4650 115.7659 55.2610 43.5276 173.6891 10 I 4.1910 8.5387 124.5353 62.5619 37.8149 176.2380 11 K 4.7031 7.5296 116.3405 55.1575 35.4578 175.5557 12 T 4.4914 8.2599 110.7782 60.9164 70.1174 173.6577 13 Y 4.3465 9.1910 126.4748 57.4930 39.3109 175.1312 14 S 4.8480 7.9667 118.9396 57.5525 64.2511 174.0633 15 K 4.0554 6.7490 118.5839 55.8020 32.4609 175.0273 16 P 4.3876 0.0000 0.0000 62.8856 31.8497 175.7428 17 F 4.9015 7.9011 115.1442 56.0839 40.7866 173.3642 18 H 4.6597 8.9575 119.2129 53.7299 29.0835 174.4170 19 P 4.6638 0.0000 0.0000 65.7152 30.9557 178.4411 20 K 4.0278 8.0783 116.6726 59.1565 32.4722 177.1501 21 F 4.8586 8.1584 117.5481 57.5284 39.2371 175.2520 22 I 4.3377 8.1941 124.2431 61.0408 37.1474 175.7181 23 K 4.8472 8.7908 124.1707 56.9478 34.5222 175.9217 24 E 4.9051 7.7325 121.0507 54.6248 33.3053 173.2362 25 L 5.0680 8.6151 126.8333 53.1869 45.3865 175.3132 26 R 4.6431 9.0168 125.4048 54.4970 33.4977 173.8862 27 V 4.7050 8.5110 125.2056 61.3381 34.1920 174.4728 28 I 4.4054 8.3835 129.8999 59.2992 38.8797 175.3171 29 E 4.4688 8.7787 128.6848 55.6751 30.3681 176.5962 30 S 4.4083 8.8059 119.2185 58.5674 63.5158 174.8976 31 G 4.0431 8.5035 107.8790 45.9318 0.0000 172.5629 32 P 4.3165 0.0000 0.0000 65.1941 31.6141 177.9050 33 C 4.6748 8.0321 114.1583 58.3921 39.0550 174.6297 34 C 4.7781 7.8722 118.3890 55.0982 46.3967 174.4724 35 A 3.9372 8.8380 130.4255 54.3969 18.3356 176.7232 36 N 5.1459 7.6728 111.2734 51.4986 41.4915 175.2164 37 T 4.2735 8.4432 117.9330 63.7988 69.6009 173.7308 38 E 4.7564 9.1248 124.6010 54.5487 33.1779 175.1104 39 I 4.9057 8.2784 123.3680 59.6986 40.5254 174.2759 40 I 4.8509 8.6801 128.4832 59.4448 40.0675 175.1821 41 V 4.6164 8.2966 120.2176 59.2781 34.7644 174.5206 42 K 4.7304 8.6831 126.2447 54.8374 33.8888 175.6111 43 L 4.7758 8.7183 127.9406 53.6954 43.1076 177.8642 44 S 4.0704 9.2229 116.8767 61.7218 62.3064 175.5084 45 D 4.3574 7.8013 115.3545 54.0668 38.8928 176.4019 46 G 4.0118 8.2828 109.9623 45.5609 0.0000 174.6599 47 R 4.0009 8.3982 118.7285 56.7035 31.4443 175.8007 48 E 4.9532 8.4898 120.5053 54.6655 32.4215 175.1238 49 L 4.5633 8.2778 124.7455 52.8904 44.9692 174.9903 50 C 5.0753 8.6420 120.4102 55.9908 41.7627 172.5439 51 L 5.0775 8.5454 124.1121 52.5795 44.5925 176.1535 52 D 4.4256 8.4655 121.7295 53.3210 41.0388 175.3612 53 P 4.3131 0.0000 0.0000 64.7328 31.5072 177.6773 54 K 4.2141 8.4167 116.9068 57.5224 32.7444 177.5847 55 E 4.2525 7.8356 120.0480 55.8048 31.1040 177.4584 56 N 4.3839 8.8445 121.4100 56.1077 38.7920 177.6631 57 W 4.2929 8.3457 117.8268 59.4958 28.2036 178.4635 58 V 2.8215 6.6133 118.4729 65.6779 31.0602 177.9337 59 Q 3.9482 7.8413 117.6595 58.7761 28.4494 178.8245 60 R 3.9885 7.8554 119.7669 59.1331 30.1659 178.6865 61 V 3.6764 7.8991 118.2426 65.9462 31.5794 178.2354 62 V 3.6599 7.9681 118.1221 65.9106 31.4239 177.6018 63 E 3.9687 8.0890 118.5863 59.3488 29.5670 178.9965 64 K 4.0254 8.1905 118.5546 59.3258 32.0649 179.1900 65 F 4.1301 8.3220 120.9875 61.0609 39.3591 176.8030 66 L 3.7536 8.0757 119.9702 58.2749 41.6693 179.2258 67 K 3.9463 7.6836 116.8018 59.2576 32.2502 179.1300 68 R 3.9238 7.8482 118.7274 59.3911 30.0598 178.4831 69 A 3.8086 7.8712 120.9387 54.9839 18.0668 179.0503 70 E 4.1014 7.8716 115.2448 58.1880 29.6353 177.9278 71 N 4.7454 7.6606 115.5682 53.3324 38.8862 175.1613 72 S 4.2228 7.7515 122.6843 58.7167 63.9683 173.7117 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 5 C 8.44 4.64 0.00 2.94 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 6 R 7.31 4.66 0.00 1.97 1.85 0.00 3.08 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.71 0.00 7 C 9.28 4.64 0.00 2.98 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.08 4.16 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 9 C 8.47 5.07 0.00 2.99 2.94 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 I 8.54 4.19 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 1.47 0.80 0.92 0.00 0.00 11 K 7.53 4.70 0.00 1.81 1.74 0.00 1.52 0.00 0.00 1.81 0.00 0.00 3.26 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.50 7.81 12 T 8.26 4.49 4.31 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 1.25 0.00 0.00 13 Y 9.19 4.35 0.00 2.83 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 14 S 7.97 4.85 0.00 3.85 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.75 4.06 0.00 0.91 1.61 0.00 1.34 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.27 7.81 16 P 0.00 4.39 0.00 2.00 1.86 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 17 F 7.90 4.90 0.00 3.22 3.18 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 0.00 0.00 0.00 0.00 18 H 8.96 4.66 0.00 3.38 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.66 0.00 2.30 2.41 0.00 3.61 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.91 0.00 20 K 8.08 4.03 0.00 1.73 1.87 0.00 1.31 0.00 0.00 1.31 0.00 0.00 2.50 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.70 0.64 7.81 21 F 8.16 4.86 0.00 3.40 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 22 I 8.19 4.34 1.82 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.78 0.02 0.00 0.00 23 K 8.79 4.85 0.00 1.80 2.00 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.42 7.81 24 E 7.73 4.91 0.00 2.04 1.72 0.00 0.00 0.00 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 2.36 0.00 25 L 8.62 5.07 0.00 1.37 1.67 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 26 R 9.02 4.64 0.00 1.84 1.74 0.00 3.07 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 27 V 8.51 4.71 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 0.87 0.00 0.00 0.93 0.00 0.00 28 I 8.38 4.41 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 1.10 0.52 0.90 0.00 0.00 29 E 8.78 4.47 0.00 1.97 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 2.28 2.30 0.00 30 S 8.81 4.41 0.00 3.93 3.82 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 31 G 8.50 4.04 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 0.00 0.00 0.00 32 P 0.00 4.32 0.00 2.05 2.13 0.00 3.67 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 2.02 2.11 0.00 33 C 8.03 4.67 0.00 2.95 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 34 C 7.87 4.78 0.00 2.92 2.87 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 35 A 8.84 3.94 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 36 N 7.67 5.15 0.00 2.57 2.71 0.00 0.00 6.94 7.54 0.00 0.00 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 T 8.44 4.27 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 1.25 0.00 0.00 38 E 9.12 4.76 0.00 1.86 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 2.19 2.39 0.00 39 I 8.28 4.91 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.82 0.84 0.00 0.00 40 I 8.68 4.85 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.79 0.83 0.00 0.00 41 V 8.30 4.62 1.83 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 0.53 0.00 0.00 0.71 0.00 0.00 42 K 8.68 4.73 0.00 1.72 1.59 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.32 7.81 43 L 8.72 4.78 0.00 1.67 1.53 0.74 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.22 4.07 0.00 3.93 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 45 D 7.80 4.36 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.28 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 0.00 0.00 0.00 47 R 8.40 4.00 0.00 1.77 1.67 0.00 2.90 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 48 E 8.49 4.95 0.00 1.71 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 49 L 8.28 4.56 0.00 1.22 1.10 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.64 5.08 0.00 3.02 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 51 L 8.55 5.08 0.00 1.35 1.34 0.88 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.47 4.43 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.04 2.05 0.00 3.69 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 2.17 2.06 0.00 54 K 8.42 4.21 0.00 1.87 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.39 7.81 55 E 7.84 4.25 0.00 1.80 1.82 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 2.48 2.63 0.00 56 N 8.84 4.38 0.00 2.86 2.93 0.00 0.00 6.90 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 8.35 4.29 0.00 3.61 3.31 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 58 V 6.61 2.82 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 -0.45 0.00 0.00 59 Q 7.84 3.95 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 60 R 7.86 3.99 0.00 2.15 1.99 0.00 3.13 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 61 V 7.90 3.68 2.23 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 1.09 0.00 0.00 1.11 0.00 0.00 62 V 7.97 3.66 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 0.98 0.00 0.00 0.89 0.00 0.00 63 E 8.09 3.97 0.00 2.34 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 0.00 2.32 2.41 0.00 64 K 8.19 4.03 0.00 2.00 1.90 0.00 1.87 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.53 7.81 65 F 8.32 4.13 0.00 3.23 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 66 L 8.08 3.75 0.00 2.05 1.82 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.68 3.95 0.00 1.77 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.58 7.81 68 R 7.85 3.92 0.00 1.85 2.03 0.00 3.09 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 69 A 7.87 3.81 0.83 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 70 E 7.87 4.10 0.00 2.13 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 2.30 2.34 0.00 71 N 7.66 4.75 0.00 2.86 2.81 0.00 0.00 6.72 6.84 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 72 S 7.75 4.22 0.00 3.79 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00