NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1409 8.5298 119.7230 55.5071 33.5637 176.0229 2 T 4.1130 8.3095 115.0098 59.1816 71.5106 173.6145 3 I 3.7711 8.9431 115.0669 64.4830 38.0890 178.9949 4 D 4.3326 8.0399 120.2086 57.0113 40.7140 178.3818 5 E 4.0771 8.1482 118.7529 59.1083 29.3613 179.3568 6 I 3.7634 7.6120 119.8591 64.1859 37.1230 178.4226 7 I 3.6759 7.9937 120.9046 64.4514 36.7794 177.9921 8 E 3.9352 7.9399 118.3936 59.1547 29.7915 178.4473 9 A 4.1315 8.0095 120.6550 55.3552 18.5849 179.5790 10 I 3.6668 7.9949 118.5099 64.7095 37.0144 178.5218 11 E 4.1097 8.5328 118.0422 58.3697 29.3240 178.4659 12 K 4.3340 7.5473 116.5621 55.8559 33.1170 177.0027 13 L 4.2752 6.9849 119.5576 54.8438 42.2374 177.5468 14 T 4.3575 8.6405 113.0251 60.6211 71.3917 176.0275 15 V 3.5672 8.2851 120.0163 66.3805 31.3655 177.8961 16 S 4.2153 7.9768 113.2611 61.2673 63.1671 176.1635 17 E 4.0090 7.9579 122.1791 59.0790 29.0571 179.2498 18 L 3.9919 8.2182 119.1562 57.4771 41.6523 179.2253 19 A 3.9593 7.6942 120.6410 55.2139 18.2881 179.2981 20 E 3.8258 8.0515 117.5677 59.1971 29.7131 178.4761 21 L 3.8917 7.9500 120.4068 58.4644 42.1385 179.2732 22 V 3.5833 8.0554 118.2254 65.7376 31.5295 177.9241 23 K 3.8995 8.0741 119.5100 59.4580 32.0952 179.0733 24 K 3.9618 8.3578 119.1895 59.3381 31.8959 179.4258 25 L 3.6331 7.8560 119.4190 57.5279 41.2639 179.3106 26 E 3.8126 7.6937 117.7656 59.2347 29.3788 178.9026 27 D 4.3855 7.5410 117.8593 56.9738 41.0133 178.0304 28 K 3.9553 7.5029 119.2590 58.7829 32.1919 176.2836 29 F 4.5850 7.0223 116.9155 56.9033 37.9556 174.3801 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 8.53 5.14 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 2 T 8.31 4.11 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 3 I 8.94 3.77 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 1.64 0.52 0.91 0.00 0.00 4 D 8.04 4.33 0.00 2.74 2.76 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 E 8.15 4.08 0.00 2.26 1.99 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 2.33 2.35 0.00 6 I 7.61 3.76 2.06 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 1.53 0.99 0.92 0.00 0.00 7 I 7.99 3.68 2.04 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 0.85 0.93 0.00 0.00 8 E 7.94 3.94 0.00 2.10 2.12 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 2.33 2.34 0.00 9 A 8.01 4.13 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 3.67 2.02 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 1.53 1.09 0.92 0.00 0.00 11 E 8.53 4.11 0.00 2.03 2.02 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 2.35 2.56 0.00 12 K 7.55 4.33 0.00 1.88 1.85 0.00 1.60 0.00 0.00 2.02 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.50 7.81 13 L 6.98 4.28 0.00 1.78 1.60 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.64 4.36 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 1.28 0.00 0.00 15 V 8.29 3.57 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 1.08 0.00 0.00 0.93 0.00 0.00 16 S 7.98 4.22 0.00 4.08 4.10 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 17 E 7.96 4.01 0.00 2.17 2.03 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 2.32 2.34 0.00 18 L 8.22 3.99 0.00 1.87 1.71 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.69 3.96 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.05 3.83 0.00 2.07 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 0.00 2.29 2.30 0.00 21 L 7.95 3.89 0.00 1.99 1.80 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.06 3.58 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.98 0.00 0.00 23 K 8.07 3.90 0.00 1.96 1.89 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.60 7.81 24 K 8.36 3.96 0.00 1.90 1.77 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.60 7.81 25 L 7.86 3.63 0.00 1.69 1.40 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.69 3.81 0.00 2.07 1.95 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 2.32 2.51 0.00 27 D 7.54 4.39 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.50 3.96 0.00 1.63 1.52 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.54 7.81 29 F 7.02 4.59 0.00 3.09 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