NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.6083 8.0244 114.2399 60.4255 38.6112 174.3639 4 K 4.1923 7.0375 121.6651 54.4951 34.5363 170.3116 5 V 4.2175 8.0730 123.0373 61.4131 34.6252 174.2495 6 R 4.4702 8.5124 127.6751 55.2346 32.1308 173.5543 7 E 4.8427 8.6091 124.6281 54.3478 32.4026 175.5629 8 N 4.3329 8.6091 120.1235 53.8023 39.8824 170.6158 9 E 3.4778 8.6349 131.2775 54.4534 30.0328 172.3634 10 P 3.9325 0.0000 0.0000 62.8286 31.7820 176.6745 11 F 4.7239 8.4249 112.8913 56.8132 41.0820 173.7051 12 D 4.3511 8.0980 117.4392 55.1847 38.6838 171.1638 13 V 4.3207 7.7766 117.5489 58.9588 33.0633 175.8829 14 A 3.8805 8.4732 128.3699 53.7305 18.2692 178.2110 15 L 4.2436 7.9693 110.3945 55.6324 39.7335 177.1010 16 R 4.1002 7.5114 120.3553 58.9351 30.0312 177.8380 17 R 4.1698 8.2081 117.5102 58.7747 29.8395 177.9208 18 F 4.0636 7.7629 118.6204 60.5774 39.7072 176.9413 19 K 4.2329 8.7108 119.0451 59.7312 31.8032 179.4822 20 R 4.3005 8.0180 117.9128 58.7450 29.9265 178.5960 21 S 4.2966 7.7865 112.9631 60.8560 62.8539 174.0251 22 C 4.7947 8.0809 115.8805 58.6497 34.3915 177.6761 23 E 4.5231 7.0277 128.5273 55.1912 29.9519 176.1502 24 K 3.5858 8.6369 124.8630 57.7470 30.8304 175.5140 25 A 4.2137 8.5454 121.4678 53.1035 18.8842 176.8976 26 G 4.3663 8.8331 111.3747 45.8854 0.0000 175.2051 27 V 4.0773 7.5411 116.5014 62.6945 32.9386 175.8662 28 L 4.3312 8.0092 120.5986 56.8375 42.7457 178.0393 29 A 3.7633 7.9560 118.6296 54.0334 18.2934 177.2878 30 E 4.2502 7.9530 114.8495 56.2746 30.3528 176.2574 31 V 4.0993 8.3483 117.9246 63.5066 33.0637 177.2904 32 R 3.9907 8.0418 117.7861 58.8407 30.1465 175.5859 33 R 4.7800 6.9659 114.3346 53.9429 32.9564 174.4240 34 R 4.1367 8.4158 115.4641 56.6624 30.8040 176.3337 35 E 3.7539 9.0417 119.8696 56.9623 28.4537 177.0729 36 F 4.5721 7.5619 131.4505 59.0688 44.1619 174.0123 37 Y 3.9457 7.3686 116.3057 57.7718 36.3820 170.6756 38 E 4.4034 8.4422 121.3212 58.1967 31.2516 177.4073 39 K 3.8770 7.9825 118.5012 59.0677 32.1263 177.2768 40 P 3.6884 0.0000 0.0000 66.0426 31.3354 178.4069 41 T 4.0096 7.1613 111.9606 64.5194 68.8085 174.3938 42 T 4.4219 7.7035 109.4081 61.2975 70.3709 175.6666 43 E 3.7504 6.6293 122.9490 58.7380 31.0503 178.6791 44 R 4.0071 7.7658 117.1000 58.7187 30.4342 177.8496 45 K 4.4061 7.6919 113.8466 56.8784 32.3481 178.1033 46 R 4.2091 8.1988 119.3880 57.5092 30.1610 178.0955 47 A 4.0302 7.5539 119.8508 54.4004 18.2488 179.5963 48 K 3.7791 7.9852 117.2687 59.8679 32.7276 178.9930 49 A 4.0402 8.0187 121.0250 54.1538 18.4090 178.4265 50 S 4.4829 7.7549 110.2047 59.5742 63.5632 175.6556 51 A 4.0396 8.4710 123.3882 54.4666 18.1063 179.5431 52 V 3.6999 7.7613 117.1814 64.4485 31.4308 176.1876 53 K 3.9799 7.9743 125.0033 57.0716 32.9512 174.1058 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 3 I 8.02 3.61 1.82 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 1.06 1.06 0.00 0.00 4 K 7.04 4.19 0.00 1.69 1.57 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.42 7.81 5 V 8.07 4.22 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 0.88 0.00 0.00 0.93 0.00 0.00 6 R 8.51 4.47 0.00 1.74 1.75 0.00 3.23 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 7 E 8.61 4.84 0.00 2.32 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 0.00 2.32 2.46 0.00 8 N 8.61 4.33 0.00 2.67 2.75 0.00 0.00 6.99 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 9 E 8.63 3.48 0.00 2.06 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 2.25 2.21 0.00 10 P 0.00 3.93 0.00 2.10 1.89 0.00 3.68 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.85 0.00 11 F 8.42 4.72 0.00 3.00 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 12 D 8.10 4.35 0.00 2.79 2.72 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 0.00 0.00 0.00 13 V 7.78 4.32 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 0.77 0.00 0.00 0.86 0.00 0.00 14 A 8.47 3.88 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 15 L 7.97 4.24 0.00 1.90 1.83 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.51 4.10 0.00 1.77 1.96 0.00 3.19 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 17 R 8.21 4.17 0.00 1.85 1.96 0.00 3.34 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 18 F 7.76 4.06 0.00 3.28 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 19 K 8.71 4.23 0.00 2.01 1.88 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.56 7.81 20 R 8.02 4.30 0.00 1.90 1.98 0.00 3.32 0.00 0.00 3.40 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 21 S 7.79 4.30 0.00 3.87 3.98 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 22 C 8.08 4.79 0.00 3.07 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 23 E 7.03 4.52 0.00 2.07 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 2.34 2.40 0.00 24 K 8.64 3.59 0.00 2.04 1.59 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.39 7.81 25 A 8.55 4.21 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.83 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 0.00 0.00 0.00 0.00 27 V 7.54 4.08 2.20 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 0.95 0.00 0.00 1.00 0.00 0.00 28 L 8.01 4.33 0.00 1.86 1.61 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.96 3.76 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 30 E 7.95 4.25 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.39 0.00 31 V 8.35 4.10 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 0.92 0.00 0.00 32 R 8.04 3.99 0.00 1.79 1.99 0.00 3.18 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 33 R 6.97 4.78 0.00 1.72 1.77 0.00 3.19 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 34 R 8.42 4.14 0.00 2.01 2.06 0.00 3.04 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 35 E 9.04 3.75 0.00 1.16 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 2.28 2.39 0.00 36 F 7.56 4.57 0.00 2.83 2.72 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 0.00 0.00 0.00 37 Y 7.37 3.95 0.00 3.21 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.44 4.40 0.00 2.15 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 2.33 2.46 0.00 39 K 7.98 3.88 0.00 1.88 1.84 0.00 2.10 0.00 0.00 2.04 0.00 0.00 3.21 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.59 1.65 7.81 40 P 0.00 3.69 0.00 2.09 1.81 0.00 3.66 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 41 T 7.16 4.01 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 42 T 7.70 4.42 4.20 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 1.21 0.00 0.00 43 E 6.63 3.75 0.00 1.80 2.05 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 0.00 2.29 2.33 0.00 44 R 7.77 4.01 0.00 1.88 1.81 0.00 2.44 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 45 K 7.69 4.41 0.00 1.73 1.80 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.40 7.81 46 R 8.20 4.21 0.00 1.94 1.94 0.00 3.10 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 47 A 7.55 4.03 1.36 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 0.00 0.00 0.00 48 K 7.99 3.78 0.00 1.98 2.06 0.00 1.51 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.49 7.81 49 A 8.02 4.04 1.36 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 0.00 0.00 0.00 50 S 7.75 4.48 0.00 3.87 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 51 A 8.47 4.04 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 52 V 7.76 3.70 2.17 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 0.79 0.00 0.00 0.92 0.00 0.00 53 K 7.97 3.98 0.00 1.66 1.63 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.27 7.81