NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7640 8.3544 109.7353 46.3507 0.0000 170.7711 2 S 3.3951 8.2037 118.7763 57.9993 60.1150 168.9064 3 T 4.7172 8.3422 120.2858 59.7975 70.8332 171.8092 4 S 4.0775 8.1063 116.5428 59.6461 63.1098 174.1591 5 A 4.3953 7.5133 128.9390 51.7270 21.6108 176.1652 6 M 4.7033 8.6975 122.5666 55.5347 33.5778 175.4176 7 W 5.3363 8.8294 115.7800 55.0227 32.4237 173.9635 8 A 4.8747 8.6447 122.2949 50.1292 19.8904 176.3030 9 C 4.8136 8.4830 123.4451 59.5641 32.8333 173.0828 10 Q 4.8047 8.6709 119.2751 55.9787 29.2938 176.0071 11 H 4.7525 8.3066 115.9129 57.7727 32.1458 173.8962 12 C 4.2771 8.2704 112.8205 58.7718 30.3183 173.1802 13 T 3.4351 8.0555 108.3552 63.0467 65.9971 170.4679 14 F 5.0449 7.7883 121.7577 57.4674 43.5809 173.2943 15 M 4.2906 6.1234 121.0123 54.8255 33.0598 174.5868 16 N 4.7376 8.0908 121.6176 51.4354 42.5608 174.0112 17 Q 4.4856 8.2919 123.2394 55.1230 29.3903 175.7169 18 P 4.6767 0.0000 0.0000 64.3561 31.6301 177.0696 19 G 4.0194 8.0870 106.6084 45.8546 0.0000 173.9900 20 T 4.5041 7.6776 112.7700 59.8825 68.2096 176.0218 21 G 3.9452 8.1456 112.7810 49.8316 0.0000 174.0441 22 H 5.2613 8.2386 115.6219 55.1050 27.1760 178.0224 23 C 5.1299 8.7078 124.0731 60.5808 33.7609 171.6986 24 E 4.7350 8.8167 122.9523 56.5810 29.4452 176.3056 25 M 4.5982 7.8169 116.7191 57.0563 34.7809 176.7020 26 C 4.2142 8.1656 112.2829 61.1073 30.4128 175.4070 27 S 4.5725 8.5387 112.5153 58.2415 60.0475 167.5602 28 L 4.8714 7.8196 116.4845 51.3958 45.1271 174.2611 29 P 4.5753 0.0000 0.0000 62.1384 32.0615 177.2186 30 R 3.3422 7.7987 118.6177 58.1424 30.0902 176.6958 31 T 4.1142 7.1415 118.4346 64.4374 69.6746 173.3470 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 G 8.35 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.20 3.40 0.00 4.08 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 3 T 8.34 4.72 4.25 0.00 0.00 0.00 0.00 0.00 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 4 S 8.11 4.08 0.00 3.93 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 4.40 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 6 M 8.70 4.70 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 7 W 8.83 5.34 0.00 3.40 3.07 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 0.00 0.00 0.00 0.00 8 A 8.64 4.87 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 9 C 8.48 4.81 0.00 2.93 2.92 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 10 Q 8.67 4.80 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 11 H 8.31 4.75 0.00 3.11 3.30 0.00 5.72 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.27 4.28 0.00 3.16 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 13 T 8.06 3.44 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 1.23 0.00 0.00 14 F 7.79 5.04 0.00 3.01 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 15 M 6.12 4.29 0.00 1.22 1.45 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.11 0.00 16 N 8.09 4.74 0.00 1.44 1.42 0.00 0.00 7.10 8.27 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 17 Q 8.29 4.49 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 18 P 0.00 4.68 0.00 2.24 2.42 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 19 G 8.09 4.02 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 0.00 0.00 0.00 20 T 7.68 4.50 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 21 G 8.15 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.24 5.26 0.00 3.26 2.81 0.00 5.91 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.71 5.13 0.00 3.33 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 24 E 8.82 4.74 0.00 2.04 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 2.26 2.28 0.00 25 M 7.82 4.60 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 26 C 8.17 4.21 0.00 3.08 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 27 S 8.54 4.57 0.00 3.96 4.32 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 4.87 0.00 1.73 1.54 0.81 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.58 0.00 2.08 1.99 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.88 0.00 30 R 7.80 3.34 0.00 1.22 1.43 0.00 2.21 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 0.50 0.50 0.00 31 T 7.14 4.11 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00