NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4204 8.2893 120.3482 55.1138 33.3356 175.7410 2 S 4.1820 8.3408 121.9586 57.0920 65.2401 169.8533 3 V 3.5534 8.4593 123.2260 66.2618 31.8380 179.5133 4 K 4.0446 8.0484 118.8021 59.4682 31.8520 178.1422 5 E 3.9388 8.1057 119.3536 59.2907 29.5808 178.8816 6 L 4.0241 7.8681 118.7333 57.7505 41.7540 179.2930 7 E 4.0004 8.4192 118.7549 59.5215 29.3764 179.1662 8 D 4.3930 8.2391 118.9864 56.9352 40.7215 178.7887 9 K 3.9115 7.7440 120.5247 59.3365 32.1549 179.0464 10 V 3.5299 7.7602 118.5353 66.1851 31.3742 177.8106 11 E 3.9100 8.0678 118.0911 59.3539 29.0966 179.0984 12 E 3.9212 8.0626 119.3739 59.2926 29.7690 178.8714 13 L 4.0271 8.1913 119.1224 57.2510 41.6551 179.1972 14 L 3.7318 8.0734 121.0125 57.8912 42.0242 178.8771 15 S 4.0423 7.7976 113.0088 61.1963 62.3539 176.0885 16 K 4.0085 7.8296 122.4843 59.1733 31.8051 178.3683 17 N 4.2409 7.9474 117.5051 57.0694 38.9223 176.6073 18 Y 4.4681 7.8263 117.9595 61.3697 37.7641 178.0518 19 H 4.4705 8.3210 117.2665 58.5451 28.7490 177.8424 20 L 4.0777 8.0485 121.1032 57.7361 41.4522 179.0954 21 E 4.0531 8.5680 118.7898 59.4784 29.3016 179.3166 22 N 4.3544 8.3186 116.5921 56.3075 38.6573 177.0940 23 E 3.9728 8.0122 120.7513 59.4184 29.6232 179.3158 24 V 3.6923 8.0790 112.2899 64.1587 31.6666 178.4153 25 A 3.9952 7.8948 120.5820 54.6948 18.1471 179.7945 26 R 3.9421 7.7346 117.2732 59.6718 30.2401 178.7460 27 L 4.0367 7.9100 118.8346 57.5508 41.7017 179.4094 28 K 3.9060 8.3533 118.8739 59.6236 31.9340 179.4899 29 K 4.0154 7.7134 117.0929 59.4300 31.8212 179.3702 30 L 3.9952 7.8368 118.4198 57.0519 41.5671 178.9649 31 V 4.2295 7.6335 116.3202 60.6630 31.9051 176.9683 32 G 3.8447 8.1598 107.1582 45.9456 0.0000 173.7384 33 E 4.1593 8.0078 120.1647 55.5728 30.3899 176.7936 34 R 4.0840 8.1627 117.0441 56.0788 29.3492 176.0363 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 8.29 4.42 0.00 1.97 2.06 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 2.47 2.59 0.00 2 S 8.34 4.18 0.00 4.17 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 3 V 8.46 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 1.09 0.00 0.00 0.93 0.00 0.00 4 K 8.05 4.04 0.00 1.90 1.79 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.44 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.56 7.81 5 E 8.11 3.94 0.00 2.11 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 2.30 2.35 0.00 6 L 7.87 4.02 0.00 1.91 1.69 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.42 4.00 0.00 2.15 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 2.32 2.45 0.00 8 D 8.24 4.39 0.00 3.00 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 9 K 7.74 3.91 0.00 1.80 1.99 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 10 V 7.76 3.53 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 1.02 0.00 0.00 0.97 0.00 0.00 11 E 8.07 3.91 0.00 2.24 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 2.32 2.31 0.00 12 E 8.06 3.92 0.00 2.10 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 2.29 2.34 0.00 13 L 8.19 4.03 0.00 1.79 1.64 0.89 0.76 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 14 L 8.07 3.73 0.00 1.70 1.73 0.30 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.80 4.04 0.00 3.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.83 4.01 0.00 1.85 1.89 0.00 1.61 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.49 7.81 17 N 7.95 4.24 0.00 2.81 2.62 0.00 0.00 7.18 7.58 0.00 0.00 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 Y 7.83 4.47 0.00 2.99 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 19 H 8.32 4.47 0.00 3.47 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.05 4.08 0.00 1.93 1.73 0.93 0.67 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 21 E 8.57 4.05 0.00 2.27 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 2.56 2.69 0.00 22 N 8.32 4.35 0.00 2.97 2.88 0.00 0.00 6.61 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 23 E 8.01 3.97 0.00 2.04 2.13 0.00 0.00 0.00 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 2.41 0.00 24 V 8.08 3.69 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 0.85 0.00 0.00 0.99 0.00 0.00 25 A 7.89 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.73 3.94 0.00 1.88 2.11 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 27 L 7.91 4.04 0.00 1.76 1.70 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.35 3.91 0.00 2.01 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.65 7.81 29 K 7.71 4.02 0.00 2.05 1.85 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.52 7.81 30 L 7.84 4.00 0.00 1.91 1.75 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.63 4.23 2.16 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 0.85 0.00 0.00 0.93 0.00 0.00 32 G 8.16 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 33 E 8.01 4.16 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 34 R 8.16 4.08 0.00 1.95 1.90 0.00 3.17 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00