NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2989 8.3001 120.3265 52.8703 35.2084 178.6692 2 A 3.5067 6.9755 122.6481 53.5926 19.1806 175.0678 3 L 3.8237 7.2654 110.0863 54.1614 45.8861 179.0115 4 D 4.4713 9.2297 116.0356 56.5600 38.8382 177.2545 5 I 4.1527 7.0537 118.4214 59.6570 36.8281 174.3275 6 E 4.8744 6.4331 124.0219 56.4709 32.4590 178.0712 7 R 4.5229 7.6580 118.7716 55.6051 31.4358 174.7572 8 I 4.0161 7.1174 117.9483 61.6849 37.8176 178.1664 9 K 3.5587 7.6536 115.8726 57.5501 33.4240 181.5852 10 E 3.1864 7.4004 119.3554 57.4167 33.3096 177.5519 11 E 4.7837 8.5727 120.8953 59.0125 30.1635 179.0278 12 L 4.4162 9.5191 120.6853 50.7925 40.4678 176.0432 13 S 4.7357 7.7730 122.5605 58.9408 61.9200 171.9367 14 Q 4.4652 8.1446 118.2739 55.4443 30.1455 176.6888 15 A 3.8072 8.4854 121.6080 52.5076 17.3845 179.0877 16 T 4.0442 6.7598 110.6361 64.4786 67.9828 176.1019 17 V 3.6975 8.3143 113.4045 65.4725 32.0213 179.2470 18 L 3.2965 6.8253 115.2153 55.8013 42.1581 179.3445 19 E 3.5087 7.4111 118.1017 58.0530 30.2393 181.0655 20 L 3.2764 8.8602 111.0186 58.3664 42.5290 180.3665 21 K 4.0938 6.3718 120.6998 56.5404 33.0726 177.0402 22 Q 3.7635 6.8475 125.1518 58.3736 31.2324 178.1219 23 L 4.7023 7.3688 123.8369 51.2992 42.3495 177.6332 24 I 4.1224 7.6042 121.9724 61.1371 40.5083 177.3149 25 D 4.4290 9.1544 117.4039 57.2471 40.7708 178.0046 26 A 4.0318 7.6600 121.3504 55.7202 17.8801 179.5453 27 L 3.1833 8.0427 111.5449 56.1972 42.3681 176.8885 28 K 4.0239 7.1844 130.2692 56.9864 31.4907 175.7917 29 E 4.3551 8.8327 119.9702 56.0997 32.3792 175.4373 30 A 4.0830 8.9252 128.4428 52.8094 18.7570 176.4749 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 8.30 4.30 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 A 6.98 3.51 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.27 3.82 0.00 1.71 0.63 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.23 4.47 0.00 2.82 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.05 4.15 2.12 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.41 0.91 0.00 0.00 6 E 6.43 4.87 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 7 R 7.66 4.52 0.00 1.70 1.97 0.00 3.41 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 8 I 7.12 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 0.91 0.00 0.00 9 K 7.65 3.56 0.00 1.79 1.60 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.67 7.81 10 E 7.40 3.19 0.00 2.03 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 0.00 2.26 2.27 0.00 11 E 8.57 4.78 0.00 2.06 2.00 0.00 0.00 0.00 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 2.30 0.00 12 L 9.52 4.42 0.00 1.65 1.61 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.77 4.74 0.00 3.93 4.17 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 14 Q 8.14 4.47 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.74 0.00 0.00 0.00 0.00 0.00 2.61 2.32 0.00 15 A 8.49 3.81 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 16 T 6.76 4.04 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 1.27 0.00 0.00 17 V 8.31 3.70 2.08 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 0.67 0.00 0.00 0.93 0.00 0.00 18 L 6.83 3.30 0.00 1.77 1.53 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.41 3.51 0.00 2.11 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 2.46 2.54 0.00 20 L 8.86 3.28 0.00 1.82 1.43 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 21 K 6.37 4.09 0.00 2.11 1.61 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.60 7.81 22 Q 6.85 3.76 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 23 L 7.37 4.70 0.00 1.64 1.58 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.60 4.12 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 0.97 0.00 0.00 25 D 9.15 4.43 0.00 2.68 2.82 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 26 A 7.66 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 3.18 0.00 1.78 1.57 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.18 4.02 0.00 2.07 1.81 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.43 7.81 29 E 8.83 4.36 0.00 2.23 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 2.11 2.21 0.00 30 A 8.93 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00