NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4484 8.1585 120.3294 54.8381 34.4491 177.1277 2 A 3.9148 7.9752 121.9176 54.2784 18.4887 177.6334 3 I 3.6023 8.6447 117.9808 64.4211 37.9838 176.2616 4 L 4.0880 7.9311 119.2409 57.9423 41.4549 179.4665 5 T 4.1854 7.5657 114.5905 66.5598 68.5847 177.0839 6 L 4.1623 8.4342 121.3260 57.4708 40.9880 179.7688 7 G 3.5034 8.2285 105.9255 47.7489 0.0000 175.7550 8 W 4.2056 7.8306 121.0005 59.0585 28.9921 178.7571 9 V 3.7214 8.1801 118.5330 66.1589 30.8917 178.2673 10 S 4.1350 8.2609 113.9204 61.1412 62.7190 176.1404 11 L 3.9371 7.6135 122.9036 58.2513 42.0387 179.1549 12 L 4.2268 7.9642 118.2497 57.5322 41.4094 179.8995 13 V 3.6801 8.1962 118.8438 66.1269 31.5948 178.3873 14 V 3.7603 8.0817 112.3964 64.4297 31.5169 178.1263 15 F 4.3387 8.4234 120.2354 61.8971 39.1741 177.3447 16 T 3.7589 8.0002 114.6593 66.4964 68.2792 176.6245 17 W 4.2133 9.1026 130.6243 60.3866 30.7911 178.3004 18 S 4.1182 8.7948 115.7279 61.5536 62.2553 176.4356 19 I 3.4991 7.4958 121.8787 64.1815 36.8779 177.9584 20 A 3.8256 8.0641 121.8086 55.9044 18.1099 179.7489 21 M 4.0747 7.9481 117.0290 58.1419 31.8124 179.3566 22 V 3.4707 7.4746 118.2535 65.9342 31.7886 177.9251 23 V 3.9834 7.7266 119.4003 65.2527 31.3756 177.6596 24 W 4.4048 8.7748 128.1508 60.5432 30.4104 177.9621 25 G 3.5849 8.0653 105.2050 46.9558 0.0000 174.7014 26 R 4.5119 7.9300 115.9586 55.2304 30.2486 175.5403 27 N 4.2818 8.2666 113.7785 53.1798 36.9525 175.0163 28 G 3.5729 8.8775 106.9007 44.9243 0.0000 174.5482 29 L 3.9498 8.3010 122.6680 56.3457 41.6616 174.3618 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 8.16 4.45 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 2 A 7.98 3.91 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 I 8.64 3.60 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.92 0.00 0.00 4 L 7.93 4.09 0.00 1.98 1.83 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.57 4.19 4.43 0.00 0.00 0.00 0.00 0.00 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 6 L 8.43 4.16 0.00 1.68 1.73 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.23 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.83 4.21 0.00 3.50 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.18 3.72 2.29 0.00 0.00 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 1.02 0.00 0.00 10 S 8.26 4.14 0.00 4.08 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 3.94 0.00 1.74 2.01 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.96 4.23 0.00 2.01 1.84 1.01 0.75 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 13 V 8.20 3.68 2.11 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 1.00 0.00 0.00 1.02 0.00 0.00 14 V 8.08 3.76 2.22 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 0.77 0.00 0.00 1.12 0.00 0.00 15 F 8.42 4.34 0.00 3.24 3.33 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 0.00 16 T 8.00 3.76 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 17 W 9.10 4.21 0.00 3.50 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 18 S 8.79 4.12 0.00 4.10 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 19 I 7.50 3.50 1.79 0.00 0.00 0.64 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 0.17 0.79 0.00 0.00 20 A 8.06 3.83 1.02 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 21 M 7.95 4.07 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 22 V 7.47 3.47 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 23 V 7.73 3.98 2.17 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 1.30 0.00 0.00 0.98 0.00 0.00 24 W 8.77 4.40 0.00 3.26 3.01 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 0.00 0.00 0.00 25 G 8.07 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.93 4.51 0.00 1.89 1.94 0.00 3.16 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 27 N 8.27 4.28 0.00 2.94 2.99 0.00 0.00 6.86 6.93 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 28 G 8.88 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.30 3.95 0.00 1.88 1.72 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00