NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4192 8.1585 120.3273 54.8491 33.5980 175.6126 2 A 3.7793 8.4157 120.3037 54.7109 17.9447 177.5439 3 M 3.8870 8.6583 118.6812 59.1001 32.3666 176.4211 4 A 4.0123 8.3441 120.9054 55.4761 18.4958 179.5770 5 M 4.0259 7.8632 116.5781 58.2010 32.2692 178.3667 6 R 3.9423 8.2953 119.4274 59.9310 30.1019 178.6637 7 S 4.1310 8.4656 114.8057 61.7719 62.8391 176.4037 8 T 3.8157 7.9703 115.3149 65.1864 66.9760 175.4650 9 F 3.8303 8.6841 122.4701 61.3557 39.3221 176.9705 10 A 3.9995 8.4820 118.7987 54.6341 18.2315 179.2789 11 A 4.0535 8.0519 119.8525 55.3751 17.5505 179.9892 12 R 3.8235 8.2421 116.0567 58.1870 29.7951 179.3078 13 V 3.6496 7.2399 112.8217 64.0352 31.6537 177.6761 14 G 3.8152 8.1285 102.3260 43.5519 0.0000 173.7131 15 A 4.0506 6.5687 128.2124 53.7624 18.0830 181.2620 16 K 4.5130 7.1902 113.2406 58.9591 33.0674 176.6728 17 P 4.0824 0.0000 0.0000 65.5622 31.3570 177.5305 18 A 4.6355 8.2959 118.0682 51.9794 19.0130 177.4090 19 V 4.4134 7.4495 108.8997 63.6339 36.7248 176.6860 20 R 4.2040 8.6051 117.5238 58.4063 30.2117 178.0471 21 G 3.5612 7.7455 104.9530 48.7857 0.0000 174.2161 22 A 4.4866 8.2368 124.6847 50.3417 16.2818 176.9705 23 R 4.2170 6.9209 124.0663 57.3511 31.8075 178.5547 24 P 4.6249 0.0000 0.0000 63.1169 32.1642 177.5477 25 A 4.4768 8.5553 124.6942 52.5642 19.0028 178.9043 26 S 4.6569 7.6612 113.5911 58.1751 62.4568 172.8364 27 R 4.7269 6.9461 131.9003 56.2594 31.9713 174.8410 28 M 4.8451 9.2317 116.3551 55.3123 35.9237 175.4097 29 S 4.5993 8.4177 106.8775 57.9016 67.7294 172.6172 30 C 4.8439 7.7569 115.5934 58.1832 31.2187 173.8421 31 M 4.1231 8.9971 120.0852 58.3864 31.9546 175.8615 32 A 4.1511 7.6011 123.7871 52.7195 19.6152 175.5843 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 4.42 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 2 A 8.42 3.78 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 3 M 8.66 3.89 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.65 0.00 4 A 8.34 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 M 7.86 4.03 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.66 0.00 6 R 8.30 3.94 0.00 1.92 2.19 0.00 3.32 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 7 S 8.47 4.13 0.00 4.07 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 8 T 7.97 3.82 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 1.36 0.00 0.00 9 F 8.68 3.83 0.00 3.29 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 10 A 8.48 4.00 1.43 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 0.00 0.00 0.00 11 A 8.05 4.05 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 12 R 8.24 3.82 0.00 1.56 1.85 0.00 3.27 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 13 V 7.24 3.65 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 0.54 0.00 0.00 0.90 0.00 0.00 14 G 8.13 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 15 A 6.57 4.05 1.43 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 0.00 0.00 0.00 16 K 7.19 4.51 0.00 1.83 1.78 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.60 7.81 17 P 0.00 4.08 0.00 2.14 2.11 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 18 A 8.30 4.64 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.45 4.41 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 0.83 0.00 0.00 1.00 0.00 0.00 20 R 8.61 4.20 0.00 1.86 1.96 0.00 3.21 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 1.61 1.60 0.00 21 G 7.75 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 22 A 8.24 4.49 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 23 R 6.92 4.22 0.00 1.86 1.86 0.00 3.28 0.00 0.00 3.27 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 24 P 0.00 4.62 0.00 2.26 2.07 0.00 3.73 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 2.06 1.95 0.00 25 A 8.56 4.48 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 26 S 7.66 4.66 0.00 3.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.95 4.73 0.00 1.72 1.08 0.00 3.39 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 28 M 9.23 4.85 0.00 1.97 1.69 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 29 S 8.42 4.60 0.00 3.86 3.70 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 30 C 7.76 4.84 0.00 3.03 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 31 M 9.00 4.12 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 32 A 7.60 4.15 1.22 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 0.00 0.00 0.00