NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.5734 8.6904 117.4917 57.0078 42.0489 174.4155 2 A 4.0214 8.3085 129.8844 49.7425 17.3795 174.7902 3 E 4.3931 7.7677 123.4032 54.8653 33.4824 171.6814 4 S 4.8909 8.6380 121.7371 56.6759 64.1820 173.3091 5 C 5.5011 8.0611 126.5922 54.3254 41.2505 174.5950 6 V 3.2980 7.5545 121.1515 65.9011 31.7100 175.1223 7 W 4.8604 7.7694 114.5217 57.9005 31.5382 175.2707 8 I 4.3551 7.5930 118.4080 59.3129 37.9247 174.2504 9 P 4.7552 0.0000 0.0000 62.0035 31.9899 176.8842 10 C 4.6392 8.5491 117.7884 57.8370 40.5538 174.1868 11 T 4.3157 9.8257 119.5282 64.1727 71.0485 175.9062 12 V 3.7604 8.4480 119.8466 65.9677 31.9615 176.8632 13 T 4.2629 9.0143 114.6428 63.6971 68.9522 176.7788 14 A 4.0947 7.9370 125.8446 55.1960 18.4959 178.9854 15 L 4.2788 7.8103 113.9823 56.0528 42.3422 176.8297 16 L 4.3188 7.6773 116.7364 55.5098 42.3724 176.6440 17 G 3.9564 8.1102 107.0378 46.2410 0.0000 173.1557 18 C 5.1609 7.8776 114.4479 54.7663 44.7559 174.9868 19 S 4.8855 8.5649 117.2163 56.5410 66.2924 174.3350 20 C 5.0364 8.6985 118.8221 56.9101 38.9123 173.9181 21 S 4.2219 8.7864 120.7012 61.2615 62.6244 175.6698 22 N 4.6605 7.9683 116.5573 53.5839 39.9172 174.2420 23 K 4.1687 8.7095 117.9311 56.0546 30.7651 175.4512 24 V 4.7122 7.1663 116.7542 60.4277 35.1109 172.9616 25 C 5.0445 9.2557 121.7405 57.0280 40.8006 173.2447 26 Y 4.2193 8.8038 126.3455 56.7830 40.2694 173.5486 27 N 4.7859 8.3510 124.9007 51.7304 39.5172 173.5063 28 G 4.3182 9.0047 116.2589 44.7166 0.0000 171.3029 29 I 4.4483 7.0045 113.2587 57.5139 39.9125 173.8602 30 P 3.0469 0.0000 0.0000 62.5644 31.2175 176.4672 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 C 8.69 4.57 0.00 2.93 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 2 A 8.31 4.02 1.25 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 0.00 0.00 0.00 3 E 7.77 4.39 0.00 1.94 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 4 S 8.64 4.89 0.00 3.83 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.06 5.50 0.00 3.05 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 3.30 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 -0.20 0.00 0.00 0.80 0.00 0.00 7 W 7.77 4.86 0.00 3.29 3.10 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 0.00 0.00 0.00 8 I 7.59 4.36 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.73 0.96 0.00 0.00 9 P 0.00 4.76 0.00 2.05 2.00 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 10 C 8.55 4.64 0.00 2.96 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.83 4.32 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 1.22 0.00 0.00 12 V 8.45 3.76 2.07 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 0.79 0.00 0.00 0.93 0.00 0.00 13 T 9.01 4.26 4.21 0.00 0.00 0.00 0.00 0.00 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 14 A 7.94 4.09 1.32 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 0.00 0.00 15 L 7.81 4.28 0.00 1.60 1.68 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.68 4.32 0.00 1.72 1.66 0.96 0.97 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 17 G 8.11 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 18 C 7.88 5.16 0.00 3.02 2.93 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 0.00 0.00 0.00 19 S 8.56 4.89 0.00 3.87 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 20 C 8.70 5.04 0.00 2.88 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 21 S 8.79 4.22 0.00 3.91 3.93 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 0.00 0.00 0.00 22 N 7.97 4.66 0.00 2.64 2.59 0.00 0.00 7.16 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.71 4.17 0.00 1.98 1.79 0.00 1.50 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.21 1.21 7.81 24 V 7.17 4.71 2.09 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 0.69 0.00 0.00 1.09 0.00 0.00 25 C 9.26 5.04 0.00 3.04 3.04 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 0.00 0.00 0.00 0.00 26 Y 8.80 4.22 0.00 2.96 2.77 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 0.00 0.00 0.00 27 N 8.35 4.79 0.00 2.78 2.81 0.00 0.00 7.58 7.86 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 28 G 9.00 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 0.00 0.00 0.00 29 I 7.00 4.45 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.86 0.89 0.00 0.00 30 P 0.00 3.05 0.00 2.04 1.79 0.00 3.50 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00