NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4852 8.1927 115.4209 57.6707 64.5831 174.2120 2 L 3.8160 8.3899 122.3591 57.2365 41.7351 178.0801 3 F 3.8810 8.5340 120.7173 61.1480 39.8189 176.4303 4 G 3.8468 8.4479 105.1354 48.1807 0.0000 175.4334 5 A 4.1319 7.7972 121.9080 53.8620 18.8536 179.2745 6 I 3.6374 8.3430 118.5452 62.6498 36.6004 177.9730 7 A 3.9155 5.8000 127.2947 56.0275 18.8772 180.3255 8 G 3.8856 7.9026 102.3321 47.2121 0.0000 175.6613 9 F 4.4044 8.1629 123.0163 61.4683 39.4260 177.0996 10 I 3.1211 7.5171 118.8625 64.2875 36.7215 177.7056 11 E 4.1463 8.3197 116.9656 58.0054 29.2519 176.6000 12 N 4.8063 7.7833 114.3244 54.5618 41.2221 176.4693 13 G 3.5093 8.2023 103.2750 45.2712 0.0000 175.0769 14 W 4.3240 7.9299 131.8461 60.9090 30.5222 177.6844 15 E 3.6835 7.5324 116.4854 58.3523 28.9630 178.6740 16 G 3.9059 7.4323 103.2266 45.8197 0.0000 173.8751 17 M 5.1666 7.7240 118.6124 53.8308 33.6326 176.6740 18 I 3.6819 7.8257 122.8567 62.8584 37.4274 176.5992 19 D 4.5833 8.3869 116.7533 54.5449 38.7814 173.8312 20 G 3.7402 7.8320 112.8665 46.1785 0.0000 173.4921 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 S 8.19 4.49 0.00 4.10 4.11 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 2 L 8.39 3.82 0.00 1.85 1.76 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.53 3.88 0.00 3.15 3.05 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 0.00 0.00 0.00 4 G 8.45 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.80 4.13 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 6 I 8.34 3.64 1.63 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.16 0.64 0.00 0.00 7 A 5.80 3.92 1.20 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 0.00 0.00 0.00 8 G 7.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.16 4.40 0.00 3.18 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 3.12 1.77 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.37 0.36 0.00 0.00 11 E 8.32 4.15 0.00 1.87 2.02 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 2.33 2.44 0.00 12 N 7.78 4.81 0.00 2.71 2.77 0.00 0.00 7.02 8.45 0.00 0.00 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 G 8.20 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.93 4.32 0.00 3.13 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 15 E 7.53 3.68 0.00 1.90 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.14 0.00 16 G 7.43 3.91 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 0.00 0.00 0.00 17 M 7.72 5.17 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.82 0.00 18 I 7.83 3.68 1.71 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.11 0.79 0.00 0.00 19 D 8.39 4.58 0.00 2.92 2.71 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 20 G 7.83 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00