NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2773 8.2649 123.5830 52.1552 19.6925 178.1612 2 T 4.0683 8.8706 116.7611 62.0130 70.2668 174.0333 3 C 5.5838 9.2389 123.9305 55.4615 45.4146 172.6730 4 Y 4.7258 9.0880 117.7338 56.4875 42.0125 173.8041 5 C 5.2736 8.8054 120.1289 55.6019 41.2438 173.3890 6 R 4.8158 9.0223 122.7147 54.8174 33.4148 177.0341 7 T 4.1362 8.9529 118.4518 65.6980 69.5234 175.3147 8 G 4.2116 7.6179 111.1014 44.2693 0.0000 173.2272 9 R 4.1368 8.3278 117.0843 55.9702 30.2677 177.1902 10 C 4.3764 8.4673 116.8091 56.6241 42.2133 173.6495 11 A 4.2303 8.8895 126.6762 51.7805 18.9449 178.7402 12 T 3.8286 8.5292 115.7830 67.1656 68.2556 175.8429 13 R 4.4288 7.8506 115.7799 55.8993 30.3456 175.7757 14 E 4.9712 7.9083 117.6772 54.6886 32.1373 175.3954 15 S 4.8261 8.6146 116.4512 56.1958 67.1325 173.4040 16 L 4.4306 8.6861 125.3819 56.0314 41.7819 176.5509 17 S 4.6341 10.4115 122.0802 57.2257 64.8224 176.3538 18 G 3.9968 6.9735 107.3766 46.0351 0.0000 170.9982 19 V 4.9694 7.9896 122.8701 61.1454 34.7625 176.1371 20 C 5.1237 9.2738 126.7249 54.6854 46.5922 171.9258 21 E 5.3672 8.8960 126.0732 54.5483 31.8442 175.0622 22 I 4.5350 8.7495 127.0239 61.0818 41.1087 175.7265 23 S 3.4716 9.9859 122.7978 59.7580 60.2324 172.9403 24 G 3.9635 8.3213 103.4167 45.7458 0.0000 173.0537 25 R 4.5844 7.9429 117.6420 53.9062 33.6594 174.0665 26 L 5.1669 7.9291 119.9869 53.4113 43.8590 175.2996 27 Y 4.9144 9.0078 119.5642 55.9468 42.9492 174.7645 28 R 4.3805 9.0908 120.6337 56.1918 31.7119 175.6287 29 L 4.8388 8.7400 126.1277 54.0995 43.7511 174.4248 30 C 5.5267 9.3323 124.8260 55.6234 42.6728 172.5235 31 C 5.6670 9.2085 121.4279 55.0710 43.9676 174.7848 32 R 4.3041 8.6805 119.5259 56.4786 29.4745 176.4823 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 A 8.26 4.28 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 2 T 8.87 4.07 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 3 C 9.24 5.58 0.00 2.70 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 4 Y 9.09 4.73 0.00 2.91 2.81 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 5 C 8.81 5.27 0.00 2.55 2.84 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 0.00 0.00 0.00 6 R 9.02 4.82 0.00 1.76 1.81 0.00 3.25 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 7 T 8.95 4.14 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 8 G 7.62 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.33 4.14 0.00 1.93 1.95 0.00 3.03 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 10 C 8.47 4.38 0.00 2.99 3.06 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 11 A 8.89 4.23 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 12 T 8.53 3.83 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 13 R 7.85 4.43 0.00 1.77 1.94 0.00 3.16 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 14 E 7.91 4.97 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 15 S 8.61 4.83 0.00 3.73 3.71 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 0.00 0.00 0.00 0.00 16 L 8.69 4.43 0.00 1.65 1.61 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17 S 10.41 4.63 0.00 3.74 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 6.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.97 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 0.84 0.00 0.00 0.94 0.00 0.00 20 C 9.27 5.12 0.00 3.05 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.90 5.37 0.00 2.00 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 2.21 2.45 0.00 22 I 8.75 4.54 2.03 0.00 0.00 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 1.31 0.70 0.93 0.00 0.00 23 S 9.99 3.47 0.00 4.00 3.90 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 24 G 8.32 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 0.00 0.00 0.00 25 R 7.94 4.58 0.00 1.96 1.36 0.00 3.10 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 26 L 7.93 5.17 0.00 1.37 1.48 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 9.01 4.91 0.00 3.00 3.04 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 28 R 9.09 4.38 0.00 1.89 1.89 0.00 3.14 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 29 L 8.74 4.84 0.00 1.80 1.70 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 C 9.33 5.53 0.00 3.10 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.21 5.67 0.00 2.86 2.96 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 32 R 8.68 4.30 0.00 1.75 1.87 0.00 3.22 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.73 0.00