NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3498 8.0327 110.9442 61.0239 70.4393 174.3004 2 L 3.7619 8.4548 122.4728 57.5958 41.8192 176.7314 3 Y 4.1805 8.8934 120.3177 60.8645 39.1744 177.3291 4 E 3.7286 8.1697 118.7213 59.3238 29.5372 179.2938 5 A 3.9467 7.9736 120.6557 55.2009 18.4259 179.7295 6 L 3.9183 8.1735 117.8460 57.7853 41.6405 179.8867 7 K 3.8021 7.9240 118.5568 59.4487 31.9072 179.2770 8 E 3.9311 8.1112 118.8389 59.3884 29.2806 179.1459 9 N 4.2600 8.2925 116.6777 56.2049 38.6091 177.0119 10 E 3.9559 8.3639 120.8661 59.0895 29.6830 178.6838 11 K 3.8915 8.0007 119.6657 59.6372 32.1515 178.7802 12 L 3.9799 7.9066 119.1529 58.0022 41.4885 179.1235 13 H 4.1951 8.3426 116.3578 58.9569 28.7707 178.0233 14 K 4.0187 8.1950 120.2151 59.3586 31.7773 179.0973 15 E 3.9609 8.2289 119.7430 59.2269 29.4661 178.9264 16 I 3.6987 8.0820 120.2131 64.3318 37.2696 178.0986 17 E 3.9648 8.1635 119.4263 59.6858 29.3312 179.5847 18 Q 4.0114 7.9911 117.5931 58.9852 28.7050 179.0036 19 K 4.0559 8.3322 119.6427 59.3172 32.0692 179.2431 20 D 4.3317 8.4532 119.7704 57.3173 40.7442 178.3057 21 N 4.3145 8.1177 117.3625 56.5012 38.8781 176.5383 22 E 3.9323 8.3143 120.7768 59.3812 29.6847 178.8728 23 I 3.6691 8.0644 119.8262 64.3343 37.2424 178.3044 24 A 3.9824 8.0551 121.5918 55.1842 18.2013 179.9255 25 R 3.8774 8.0848 116.5559 59.4947 30.0808 179.3842 26 L 4.0627 8.2051 118.9214 57.5882 41.5710 179.7350 27 K 3.9760 8.3111 118.8596 59.1312 32.0051 179.3681 28 K 3.9321 8.0131 119.8499 59.3779 32.0826 178.3732 29 E 3.8987 8.1536 119.6729 59.3378 29.4265 178.2671 30 N 4.2476 8.3232 117.1760 56.6108 39.0350 176.6908 31 K 3.9141 8.1272 120.8931 59.6546 31.8791 178.6626 32 E 4.1653 8.1304 118.7365 59.4205 29.3054 179.3847 33 L 4.0169 8.2902 119.1544 57.6657 41.4616 179.3966 34 A 4.0032 8.1469 120.2393 54.8915 18.3228 179.1979 35 E 4.0484 7.8982 116.6498 59.7010 29.6399 179.4586 36 V 3.7368 7.3136 116.1808 65.6468 31.7234 176.1618 37 A 4.2881 8.0583 124.0897 52.3652 18.4077 176.8954 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 T 8.03 4.35 4.30 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 1.29 0.00 0.00 2 L 8.45 3.76 0.00 1.89 1.76 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.89 4.18 0.00 3.06 2.98 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 4 E 8.17 3.73 0.00 2.26 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 2.34 2.41 0.00 5 A 7.97 3.95 1.30 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 0.00 0.00 6 L 8.17 3.92 0.00 1.64 1.71 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.92 3.80 0.00 1.59 1.63 0.00 1.50 0.00 0.00 1.42 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.67 0.52 7.81 8 E 8.11 3.93 0.00 2.09 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 2.47 2.45 0.00 9 N 8.29 4.26 0.00 2.85 2.82 0.00 0.00 6.65 7.17 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 10 E 8.36 3.96 0.00 2.08 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 0.00 2.31 2.36 0.00 11 K 8.00 3.89 0.00 1.85 1.98 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 12 L 7.91 3.98 0.00 1.79 1.63 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.34 4.20 0.00 3.31 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.20 4.02 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.72 7.81 15 E 8.23 3.96 0.00 2.12 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 2.30 2.34 0.00 16 I 8.08 3.70 2.03 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 1.52 0.65 0.92 0.00 0.00 17 E 8.16 3.96 0.00 2.21 2.01 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 2.34 2.53 0.00 18 Q 7.99 4.01 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 19 K 8.33 4.06 0.00 1.87 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.56 7.81 20 D 8.45 4.33 0.00 2.88 2.72 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 21 N 8.12 4.31 0.00 2.79 2.97 0.00 0.00 6.85 7.19 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 22 E 8.31 3.93 0.00 2.17 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 0.00 2.30 2.35 0.00 23 I 8.06 3.67 2.00 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 1.45 0.55 0.91 0.00 0.00 24 A 8.06 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 3.88 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 26 L 8.21 4.06 0.00 1.81 1.71 0.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.31 3.98 0.00 1.98 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 28 K 8.01 3.93 0.00 1.86 1.93 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 29 E 8.15 3.90 0.00 2.09 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 2.31 2.33 0.00 30 N 8.32 4.25 0.00 2.90 3.01 0.00 0.00 6.89 8.14 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 31 K 8.13 3.91 0.00 1.95 1.95 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 32 E 8.13 4.17 0.00 2.21 1.98 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 2.33 2.49 0.00 33 L 8.29 4.02 0.00 1.68 1.71 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.15 4.00 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 35 E 7.90 4.05 0.00 2.16 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 2.35 2.37 0.00 36 V 7.31 3.74 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 0.81 0.00 0.00 0.93 0.00 0.00 37 A 8.06 4.29 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