NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3405 8.3044 120.3502 55.1417 33.1921 178.1690 2 K 3.9797 9.0504 117.7272 54.9834 32.4489 174.4019 3 R 4.1793 8.6138 125.5496 56.6168 32.1615 176.6821 4 T 4.3223 7.8842 115.3649 59.1443 65.6310 175.2905 5 F 5.0285 7.4606 118.1832 58.1495 42.0659 171.5675 6 Q 4.2134 8.3465 123.7659 52.3539 28.2540 173.4793 7 P 3.9396 0.0000 0.0000 63.2342 31.6435 176.9440 8 S 4.2888 8.3886 115.9655 56.1372 63.3648 174.3952 9 V 3.6605 8.5983 129.9240 65.4861 30.7148 177.2442 10 L 4.0611 7.9592 120.5925 56.9129 42.1385 178.3711 11 K 3.8342 8.2042 117.6240 59.8425 32.3506 178.7054 12 R 3.9817 8.0799 118.3699 59.9534 29.9254 177.8461 13 N 4.3681 7.9958 115.9606 56.3457 38.4941 176.8755 14 R 4.2934 7.8257 113.4705 57.1039 29.9016 177.3288 15 S 4.5997 7.7407 115.5253 59.6623 64.6661 174.1712 16 H 4.9410 8.8701 118.3194 55.2595 29.9143 173.6285 17 G 4.6210 7.8999 106.8985 43.4205 0.0000 175.1130 18 F 4.0103 8.7548 120.5819 61.5561 39.1097 177.3342 19 R 3.5837 8.2797 116.0772 59.2864 29.9615 178.4995 20 A 4.1162 7.8903 119.3352 55.0852 18.6190 179.5284 21 R 3.9637 8.0978 116.8955 59.2992 30.4639 179.3031 22 M 4.4961 8.3075 118.8125 55.4393 31.2141 176.9531 23 A 4.6267 7.7596 120.0343 51.0239 21.4621 177.0250 24 T 4.7281 7.3766 105.0453 59.0200 73.3658 174.0260 25 K 3.8051 8.5535 121.2580 60.2527 31.9711 178.3569 26 N 4.6109 8.0046 116.1175 55.1363 38.8069 177.4256 27 G 3.8819 8.0147 109.7545 47.4402 0.0000 176.2143 28 R 3.9004 8.1622 121.0834 57.7169 30.0424 178.1818 29 Q 4.1829 8.0753 118.6957 57.2617 29.0194 177.3876 30 V 3.7570 7.7198 119.3053 66.2371 31.8965 177.4402 31 L 4.0097 7.9245 117.9057 57.9387 41.3092 179.5060 32 A 4.0033 7.8376 120.2952 55.1642 18.3657 179.8482 33 R 3.8435 7.4365 116.0941 59.5140 30.1946 179.6329 34 R 3.9432 8.3999 118.1673 59.2837 30.0301 179.2311 35 R 3.9196 8.8956 118.8437 59.2048 29.8346 178.6781 36 A 3.9749 8.3847 119.8602 55.2712 18.5737 179.4543 37 K 3.9642 8.0975 116.2053 56.8167 33.4899 176.3111 38 G 3.8242 7.9294 106.7308 46.9220 0.0000 173.5519 39 R 4.1455 7.9153 117.5929 55.7234 31.4310 176.1817 40 A 4.0028 8.4749 125.5610 54.7815 18.7338 178.2251 41 R 4.3916 7.6157 117.3360 54.4442 30.5051 176.3990 42 L 4.0257 8.4969 125.8613 57.2191 42.3590 177.7050 43 T 4.1107 8.0310 113.0166 62.0092 69.5868 174.0911 44 V 3.1714 8.2737 121.5670 63.3365 28.7246 173.4049 45 S 3.9369 7.6047 118.4912 59.5256 63.2040 175.4308 46 K 4.0123 7.9817 125.8105 56.3444 31.8232 174.8066 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 8.30 4.34 0.00 2.00 1.30 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 9.05 3.98 0.00 1.84 1.71 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.53 7.81 3 R 8.61 4.18 0.00 1.88 1.94 0.00 3.44 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 4 T 7.88 4.32 4.27 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 1.24 0.00 0.00 5 F 7.46 5.03 0.00 2.74 2.91 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 0.00 0.00 0.00 6 Q 8.35 4.21 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 7 P 0.00 3.94 0.00 1.98 1.58 0.00 3.43 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 8 S 8.39 4.29 0.00 3.81 3.75 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 9 V 8.60 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 0.86 0.00 0.00 0.95 0.00 0.00 10 L 7.96 4.06 0.00 1.74 1.63 0.93 0.55 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 11 K 8.20 3.83 0.00 1.91 1.91 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.50 7.81 12 R 8.08 3.98 0.00 2.01 2.22 0.00 3.19 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 13 N 8.00 4.37 0.00 3.00 2.90 0.00 0.00 6.90 7.91 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 14 R 7.83 4.29 0.00 1.98 2.05 0.00 3.04 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 15 S 7.74 4.60 0.00 4.10 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 16 H 8.87 4.94 0.00 3.01 3.26 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.90 4.62 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 0.00 0.00 0.00 18 F 8.75 4.01 0.00 3.09 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 19 R 8.28 3.58 0.00 1.89 2.03 0.00 3.34 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.90 0.00 20 A 7.89 4.12 1.37 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 21 R 8.10 3.96 0.00 1.98 1.74 0.00 3.34 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 22 M 8.31 4.50 0.00 1.75 1.83 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.57 0.00 23 A 7.76 4.63 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 24 T 7.38 4.73 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 25 K 8.55 3.81 0.00 1.87 1.80 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.59 7.81 26 N 8.00 4.61 0.00 2.69 2.85 0.00 0.00 6.86 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 27 G 8.01 3.88 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 28 R 8.16 3.90 0.00 1.81 1.92 0.00 3.06 0.00 0.00 3.03 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 29 Q 8.08 4.18 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 30 V 7.72 3.76 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 1.04 0.00 0.00 0.95 0.00 0.00 31 L 7.92 4.01 0.00 1.70 1.76 0.42 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.84 4.00 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 33 R 7.44 3.84 0.00 2.24 1.99 0.00 3.12 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 34 R 8.40 3.94 0.00 1.98 1.99 0.00 3.15 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 35 R 8.90 3.92 0.00 2.06 2.00 0.00 3.19 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 36 A 8.38 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.10 3.96 0.00 1.85 2.01 0.00 1.95 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.47 7.81 38 G 7.93 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 0.00 0.00 0.00 39 R 7.92 4.15 0.00 1.97 1.85 0.00 3.32 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 40 A 8.47 4.00 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 41 R 7.62 4.39 0.00 1.82 1.92 0.00 3.23 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 42 L 8.50 4.03 0.00 1.66 1.81 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.03 4.11 4.33 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 1.26 0.00 0.00 44 V 8.27 3.17 2.14 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 0.85 0.00 0.00 1.00 0.00 0.00 45 S 7.60 3.94 0.00 4.01 3.81 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 0.00 0.00 0.00 46 K 7.98 4.01 0.00 1.65 1.64 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.30 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.41 7.81