NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9857 8.2127 109.7426 45.3471 0.0000 173.7540 2 I 3.4291 7.9173 118.8028 62.2854 37.5890 173.2875 3 V 3.4789 8.3351 120.1718 66.0978 31.7431 177.2352 4 E 3.9940 8.0649 116.3246 59.5751 29.4012 178.9146 5 Q 4.2893 8.0960 117.0146 57.7282 28.9508 176.1876 6 C 5.1264 8.3319 114.4763 56.8905 41.3597 173.9341 7 C 4.6261 7.9838 115.6536 59.8595 28.1285 173.8324 8 T 4.3860 7.9209 114.9780 64.6694 70.4683 173.9248 9 S 4.7471 7.7452 113.6491 55.8817 64.2537 173.4531 10 I 3.8412 8.2397 128.4207 61.5635 37.3339 176.4104 11 C 4.7890 8.6179 123.5035 56.2423 35.8022 174.3656 12 S 4.5094 9.1607 119.8531 57.8627 64.8824 175.5506 13 L 4.0675 8.3881 121.2488 57.9975 41.0551 179.1115 14 Y 4.0779 7.9843 118.4808 60.7356 38.6024 177.5368 15 Q 3.9484 8.0802 118.7081 58.6814 28.6911 178.6105 16 L 4.2440 7.8234 119.9855 57.6309 41.8679 178.8452 17 E 3.9497 8.3831 119.0703 58.7575 29.2544 178.1577 18 N 4.2751 7.3886 114.2937 55.2255 38.7270 175.5632 19 Y 4.4478 7.8864 117.6943 57.2025 38.4104 175.3587 20 C 4.4188 7.0476 117.7592 59.0463 29.1097 173.4859 21 N 4.5232 8.5542 117.5493 53.8281 38.0996 175.3487 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 8.21 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.92 3.43 0.56 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.81 0.60 0.00 0.00 3 V 8.34 3.48 2.04 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 0.99 0.00 0.00 0.87 0.00 0.00 4 E 8.06 3.99 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 5 Q 8.10 4.29 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 6 C 8.33 5.13 0.00 2.93 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 C 7.98 4.63 0.00 3.08 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 8 T 7.92 4.39 4.24 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 1.21 0.00 0.00 9 S 7.75 4.75 0.00 3.81 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 10 I 8.24 3.84 1.88 0.00 0.00 0.87 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 0.66 0.92 0.00 0.00 11 C 8.62 4.79 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 12 S 9.16 4.51 0.00 4.11 4.08 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 0.00 0.00 0.00 0.00 13 L 8.39 4.07 0.00 1.78 1.80 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.98 4.08 0.00 2.95 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 15 Q 8.08 3.95 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 16 L 7.82 4.24 0.00 1.94 1.76 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.38 3.95 0.00 2.10 1.96 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 2.24 2.33 0.00 18 N 7.39 4.28 0.00 2.39 2.37 0.00 0.00 6.92 7.34 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 19 Y 7.89 4.45 0.00 3.09 2.95 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 20 C 7.05 4.42 0.00 3.07 2.86 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 21 N 8.55 4.52 0.00 2.71 2.74 0.00 0.00 6.79 7.56 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