NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5865 8.1633 120.3258 54.9941 35.0588 177.9093 2 K 4.5455 7.9110 124.8570 54.3454 31.4162 175.9468 3 V 3.7316 8.8561 125.2026 63.2134 32.6754 173.9708 4 R 4.2352 7.3742 118.2882 56.5243 32.0320 174.3855 5 A 4.5001 8.5415 119.5114 52.5018 19.7480 177.2572 6 S 4.4316 7.7037 109.3677 56.0681 62.6206 171.3794 7 V 4.1176 7.9782 124.2928 60.9461 32.2849 175.1270 8 K 4.5833 7.8043 126.2528 54.9159 36.0334 175.3537 9 R 4.2647 8.4449 118.9457 56.1802 29.9075 176.5509 10 I 4.1920 8.4353 123.3784 60.0138 37.6643 175.3385 11 C 5.6720 8.2095 125.3575 58.7890 30.7668 175.1118 12 D 4.2821 8.2858 124.7534 56.3238 40.0616 178.2262 13 K 4.1610 8.1079 117.3138 57.5275 32.1306 176.2426 14 C 4.8722 8.3760 117.8116 59.4889 29.3743 173.3817 15 K 4.5318 9.4160 121.1224 54.7812 35.9593 176.0515 16 V 4.3984 8.6257 125.2968 62.5638 31.2137 175.3596 17 I 4.3786 8.4852 129.2686 59.6479 39.7295 176.2200 18 R 4.9400 8.2019 121.4668 54.9148 30.0129 175.1542 19 R 3.9114 7.9252 113.5693 57.2886 30.6207 175.7222 20 H 3.8006 9.1317 118.8316 57.4954 24.9400 175.5799 21 G 3.9801 8.1298 103.2921 46.2177 0.0000 172.8484 22 R 4.5225 7.8679 119.1415 54.0166 32.0442 175.3281 23 V 4.2401 8.4250 123.4307 63.2718 32.4379 174.6642 24 Y 4.8373 8.9232 126.2110 56.7267 41.1893 175.5561 25 V 4.6458 8.1407 119.9759 62.1905 34.4718 173.5182 26 I 4.8357 8.6268 128.9907 60.3603 40.3416 174.8037 27 C 4.7613 7.9876 122.4209 59.2493 33.7696 172.6125 28 E 4.0232 8.9100 118.7919 58.0540 29.6955 176.3420 29 N 4.6651 7.8210 117.3558 50.4305 37.4243 173.8019 30 P 4.2609 0.0000 0.0000 64.7469 31.9115 177.6862 31 K 4.1477 8.4228 119.5687 60.0350 32.0717 179.0151 32 H 4.2112 8.1805 113.6014 57.5487 28.4300 174.5291 33 K 4.0542 7.5865 120.3447 57.2283 32.4689 174.6926 34 Q 5.6218 10.0571 130.1489 55.1774 28.4700 174.6477 35 R 4.1364 8.1316 122.2450 55.4797 31.4205 173.4664 36 Q 4.3194 7.8902 128.0234 54.8729 29.9024 175.9097 37 G 3.7246 8.8549 112.5751 46.6107 0.0000 172.3340 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 4.59 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 2 K 7.91 4.55 0.00 1.80 0.91 0.00 1.82 0.00 0.00 1.50 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.60 1.44 7.81 3 V 8.86 3.73 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 0.91 0.00 0.00 0.88 0.00 0.00 4 R 7.37 4.24 0.00 2.05 1.98 0.00 2.82 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.34 0.00 5 A 8.54 4.50 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.70 4.43 0.00 3.77 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 4.12 2.06 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 0.89 0.00 0.00 0.91 0.00 0.00 8 K 7.80 4.58 0.00 1.80 1.67 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.37 7.81 9 R 8.44 4.26 0.00 1.80 1.89 0.00 3.20 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 10 I 8.44 4.19 1.30 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.50 0.77 0.00 0.00 11 C 8.21 5.67 0.00 3.23 3.22 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 0.00 0.00 0.00 0.00 12 D 8.29 4.28 0.00 2.83 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 13 K 8.11 4.16 0.00 1.84 1.89 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.47 7.81 14 C 8.38 4.87 0.00 2.89 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.42 4.53 0.00 1.62 1.66 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.37 7.81 16 V 8.63 4.40 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 0.80 0.00 0.00 0.95 0.00 0.00 17 I 8.49 4.38 1.92 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 1.30 0.78 0.88 0.00 0.00 18 R 8.20 4.94 0.00 1.75 1.85 0.00 3.08 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 19 R 7.93 3.91 0.00 1.89 1.80 0.00 2.73 0.00 0.00 2.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.15 0.00 20 H 9.13 3.80 0.00 3.41 3.50 0.00 5.96 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.13 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 4.52 0.00 2.38 2.05 0.00 3.46 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 23 V 8.43 4.24 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 1.07 0.00 0.00 0.97 0.00 0.00 24 Y 8.92 4.84 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 4.65 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 1.07 0.00 0.00 0.96 0.00 0.00 26 I 8.63 4.84 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.93 0.94 0.00 0.00 27 C 7.99 4.76 0.00 2.97 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.91 4.02 0.00 1.95 1.92 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 2.26 2.28 0.00 29 N 7.82 4.67 0.00 2.86 2.88 0.00 0.00 5.99 7.76 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 30 P 0.00 4.26 0.00 2.20 2.26 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 31 K 8.42 4.15 0.00 1.89 1.94 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.42 7.81 32 H 8.18 4.21 0.00 3.11 3.36 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.59 4.05 0.00 2.01 1.83 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.48 7.81 34 Q 10.06 5.62 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 35 R 8.13 4.14 0.00 1.38 1.66 0.00 2.76 0.00 0.00 2.91 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 36 Q 7.89 4.32 0.00 2.20 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 37 G 8.85 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00