NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0445 8.0549 120.3906 62.8457 32.6758 174.4601 2 T 4.3211 8.3816 122.5015 59.9218 70.7519 171.9674 3 S 4.7771 8.9181 121.0090 56.6028 67.3658 172.3593 4 Y 4.7681 8.3469 117.1774 56.5393 41.2169 175.3607 5 T 4.7732 8.4532 119.2199 61.7103 72.4173 173.1560 6 L 4.8779 8.3858 125.9000 53.2132 45.3666 175.1255 7 N 5.1270 8.4632 120.8195 51.3136 40.4052 173.1659 8 E 4.6230 8.2884 119.1657 54.8618 32.7299 174.4196 9 V 3.8684 8.2495 124.6711 62.0694 32.1679 175.4170 10 V 4.3233 8.2035 126.7168 60.4733 33.4552 173.9640 11 P 4.5982 0.0000 0.0000 60.9989 30.2219 176.1447 12 L 3.9190 8.3245 127.5065 58.9154 41.6338 178.5089 13 K 3.8966 8.1062 117.3145 59.2831 32.0999 177.4409 14 D 4.6253 8.0441 117.0537 54.7338 41.2400 177.3480 15 V 4.0415 7.5498 117.8477 64.0159 32.6147 176.0204 16 V 4.3852 7.2968 110.8212 58.7003 33.5128 173.7937 17 P 4.6226 0.0000 0.0000 62.0427 32.1145 176.6877 18 E 4.0358 8.8155 118.3813 58.4549 29.4761 177.8937 19 W 4.6425 8.0632 117.3056 54.8074 31.4356 175.0176 20 V 4.6712 8.2843 114.6257 59.8098 35.3534 174.5237 21 R 4.6626 8.4468 119.2430 54.4126 32.3949 175.7119 22 I 4.4091 7.7418 115.3758 59.3572 39.8709 175.5095 23 G 3.8392 7.3544 108.2091 45.7597 0.0000 172.3020 24 F 4.9517 8.4406 116.5805 55.6581 42.4233 174.4124 25 S 4.7214 8.3779 115.6371 56.8916 65.5385 172.9987 26 A 4.6693 8.1261 126.0157 51.4649 21.6887 175.6150 27 T 4.7773 8.1311 110.0204 60.3111 72.0799 172.8140 28 T 4.9311 8.2819 110.9675 60.0034 72.9096 175.0190 29 G 4.1563 8.4112 112.7756 45.3593 0.0000 175.5387 30 A 4.2029 8.9563 126.6177 54.0712 18.6722 177.7596 31 E 4.3430 7.9443 115.0696 55.1086 31.0841 174.9902 32 F 5.1934 6.8315 115.3108 56.1975 40.9844 172.6456 33 A 4.5057 8.2122 121.1449 51.5583 21.4281 175.4374 34 A 4.5203 8.4278 122.5818 51.0620 20.1558 177.2611 35 Q 4.5297 8.4952 119.9799 54.1392 31.1116 175.0057 36 E 4.6785 8.4834 121.4467 54.2561 33.4460 175.1786 37 V 4.1485 8.0898 120.2740 61.4983 33.6000 175.1269 38 H 4.7993 8.5982 123.2302 56.7868 29.9217 174.8662 39 S 4.7248 7.6004 110.9578 57.4570 65.2140 173.8194 40 W 5.1323 8.4895 129.2095 57.0157 33.2434 173.7627 41 S 4.8937 8.7067 121.4831 57.0052 65.4226 173.2850 42 F 4.5594 8.0497 121.7851 57.4035 41.9480 172.9647 43 N 4.7112 7.6075 125.6666 51.6859 41.4597 173.3249 44 S 4.5525 8.2759 118.8960 56.4574 66.1730 173.5406 45 Q 4.2473 8.3050 119.8219 54.3404 31.4972 174.2260 46 L 4.3361 8.6684 125.6131 54.6068 43.2667 176.2934 47 G 3.9972 8.7614 114.0618 45.7608 0.0000 172.6970 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 V 8.05 4.04 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 0.93 0.00 0.00 2 T 8.38 4.32 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 3 S 8.92 4.78 0.00 3.89 3.76 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 4 Y 8.35 4.77 0.00 2.92 2.87 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 5 T 8.45 4.77 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 6 L 8.39 4.88 0.00 1.55 1.50 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.46 5.13 0.00 2.81 2.72 0.00 0.00 5.82 7.66 0.00 0.00 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 E 8.29 4.62 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 9 V 8.25 3.87 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 0.82 0.00 0.00 0.93 0.00 0.00 10 V 8.20 4.32 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 0.93 0.00 0.00 0.94 0.00 0.00 11 P 0.00 4.60 0.00 2.42 2.19 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 12 L 8.32 3.92 0.00 1.70 1.79 0.93 0.69 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 K 8.11 3.90 0.00 1.73 1.85 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.53 7.81 14 D 8.04 4.63 0.00 2.68 2.70 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 15 V 7.55 4.04 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 0.83 0.00 0.00 0.98 0.00 0.00 16 V 7.30 4.39 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 0.76 0.00 0.00 0.99 0.00 0.00 17 P 0.00 4.62 0.00 2.12 2.06 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 18 E 8.82 4.04 0.00 2.07 1.91 0.00 0.00 0.00 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 2.34 0.00 19 W 8.06 4.64 0.00 3.19 3.07 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 0.00 0.00 0.00 20 V 8.28 4.67 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 0.80 0.00 0.00 0.95 0.00 0.00 21 R 8.45 4.66 0.00 1.77 1.81 0.00 3.19 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 22 I 7.74 4.41 1.81 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.63 0.78 0.00 0.00 23 G 7.35 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.44 4.95 0.00 2.81 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 25 S 8.38 4.72 0.00 3.77 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 4.67 1.19 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 0.00 0.00 27 T 8.13 4.78 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 28 T 8.28 4.93 4.40 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 1.33 0.00 0.00 29 G 8.41 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.96 4.20 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 31 E 7.94 4.34 0.00 1.97 1.71 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 2.15 2.19 0.00 32 F 6.83 5.19 0.00 3.04 3.03 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 0.00 0.00 0.00 33 A 8.21 4.51 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.43 4.52 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 35 Q 8.50 4.53 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 36 E 8.48 4.68 0.00 1.86 1.82 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 2.19 2.24 0.00 37 V 8.09 4.15 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 -0.03 0.00 0.00 38 H 8.60 4.80 0.00 3.14 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.60 4.72 0.00 4.04 3.86 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 0.00 0.00 0.00 0.00 40 W 8.49 5.13 0.00 3.36 3.14 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 0.00 0.00 0.00 0.00 41 S 8.71 4.89 0.00 3.98 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.05 4.56 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 7.61 4.71 0.00 2.51 2.41 0.00 0.00 6.89 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.28 4.55 0.00 3.91 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.31 4.25 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 46 L 8.67 4.34 0.00 1.47 1.48 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.76 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00