NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3200 8.1127 119.7064 56.3335 32.6752 177.3421 2 M 3.8618 8.0024 117.5940 58.0863 32.1399 176.6051 3 K 4.3528 8.6751 120.8363 58.9216 32.7289 178.7753 4 Q 3.9883 8.0264 117.9867 58.9676 28.6187 178.7184 5 L 4.0199 7.9898 120.0170 57.7160 41.5189 179.2257 6 E 3.9719 8.3840 118.6965 59.6070 29.3774 179.2208 7 D 4.3669 8.3363 118.9537 57.3267 40.8308 178.8457 8 K 3.9432 8.1289 120.1411 59.3655 32.1511 179.1031 9 V 3.5537 8.1951 119.0771 65.9755 31.4509 177.8879 10 E 4.0087 8.4186 118.7605 59.3276 29.2506 179.1981 11 E 3.9950 8.4111 117.8369 59.4369 29.6416 179.2461 12 L 3.9423 8.2191 120.0861 57.1959 41.5741 179.5057 13 L 3.5619 7.8544 120.6130 57.1430 41.5559 179.5836 14 S 4.3757 8.0811 115.0726 61.5861 62.6707 176.9801 15 K 4.0043 8.1735 121.4898 59.6394 31.9036 179.5523 16 T 3.8060 7.9288 110.3268 64.9139 68.7183 176.2152 17 Y 4.4190 7.6303 119.5909 61.0855 37.9005 177.9824 18 H 4.1633 8.4099 119.1034 59.4233 29.9696 177.3672 19 L 4.0383 8.3166 121.0811 57.5524 41.2819 179.1075 20 E 3.9268 8.4640 119.5501 59.4785 29.6161 178.6865 21 N 4.3398 8.0855 116.0994 56.3297 38.5124 177.3238 22 E 3.9359 8.1102 120.0760 59.3774 29.5179 179.5849 23 V 3.5680 8.0912 118.2736 65.6647 31.5836 177.8975 24 A 3.9491 8.3158 120.9746 55.2189 18.1682 179.4154 25 R 3.8228 8.0443 117.1402 59.5989 30.0146 178.6874 26 L 3.9505 8.0064 118.5791 57.9224 41.7201 179.5152 27 K 3.8690 8.4141 118.7853 59.4844 31.7054 179.2579 28 K 3.9667 7.8021 118.9819 59.4927 32.1937 178.6321 29 L 4.1577 7.4529 118.2392 58.1116 41.6241 178.8435 30 V 3.7948 7.9422 118.3509 61.9225 31.7351 175.9409 31 G 3.8679 8.6702 106.8222 44.9684 0.0000 173.3883 32 E 4.0862 7.8090 116.2351 55.6536 30.9550 176.3297 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 R 8.11 4.32 0.00 1.89 2.05 0.00 3.09 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 2 M 8.00 3.86 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.69 0.00 3 K 8.68 4.35 0.00 1.84 1.84 0.00 2.00 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.69 1.39 7.81 4 Q 8.03 3.99 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 5 L 7.99 4.02 0.00 1.82 1.71 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.38 3.97 0.00 2.17 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 2.68 0.00 7 D 8.34 4.37 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.13 3.94 0.00 1.87 1.79 0.00 1.51 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.47 7.81 9 V 8.20 3.55 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 0.97 0.00 0.00 0.94 0.00 0.00 10 E 8.42 4.01 0.00 2.19 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 2.57 2.48 0.00 11 E 8.41 3.99 0.00 2.18 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 0.00 2.46 2.37 0.00 12 L 8.22 3.94 0.00 1.64 1.69 0.89 0.84 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 13 L 7.85 3.56 0.00 1.81 1.38 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.08 4.38 0.00 4.05 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.17 4.00 0.00 1.88 1.82 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.66 7.81 16 T 7.93 3.81 4.12 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 0.00 0.00 1.21 0.00 0.00 17 Y 7.63 4.42 0.00 3.22 2.95 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 18 H 8.41 4.16 0.00 3.40 3.52 0.00 5.78 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 19 L 8.32 4.04 0.00 1.85 1.71 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.46 3.93 0.00 2.26 2.15 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 2.34 2.38 0.00 21 N 8.09 4.34 0.00 2.93 2.82 0.00 0.00 7.09 7.01 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 22 E 8.11 3.94 0.00 2.12 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 2.29 2.41 0.00 23 V 8.09 3.57 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 1.05 0.00 0.00 0.99 0.00 0.00 24 A 8.32 3.95 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 25 R 8.04 3.82 0.00 1.89 2.12 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 26 L 8.01 3.95 0.00 1.88 1.70 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.41 3.87 0.00 1.90 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.65 7.81 28 K 7.80 3.97 0.00 2.04 1.89 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 29 L 7.45 4.16 0.00 1.78 1.71 0.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.94 3.79 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 0.98 0.00 0.00 31 G 8.67 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.81 4.09 0.00 2.15 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 0.00 2.24 2.33 0.00