NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3807 8.3001 120.3279 55.4001 33.6264 174.1105 1 A 4.4742 8.6705 120.9747 51.1913 21.1401 175.3047 2 K 5.2848 9.1764 118.7280 54.5034 36.5914 173.8782 3 W 5.4406 9.4467 122.7664 54.9320 33.2984 174.5543 4 V 4.8505 8.8454 124.0641 60.1113 33.8176 174.6470 5 C 3.4900 8.9383 124.9597 58.7513 31.6430 174.2431 6 K 4.0796 8.7468 127.0322 58.8783 31.6668 179.0475 7 I 3.9406 7.8274 120.8067 63.6481 37.3810 176.4551 8 C 4.5794 8.1497 110.9341 57.4318 31.0170 174.7220 9 G 3.9396 8.2866 108.6908 44.8919 0.0000 173.0108 10 Y 4.2784 7.8925 121.3078 58.0831 40.0923 174.7502 11 I 4.7917 7.4836 126.3273 59.5952 39.2334 174.5419 12 Y 4.3190 9.3475 130.2832 57.2255 39.9643 173.6047 13 D 4.7496 7.9532 127.4712 52.4320 42.4903 176.4511 14 E 3.8381 8.9636 127.1080 59.6078 30.0109 179.6560 15 D 4.2333 8.4224 118.4927 56.5265 41.0773 177.1917 16 A 4.2489 7.8242 121.0625 51.6204 20.1728 179.1915 17 G 3.8823 7.8218 104.0458 46.1421 0.0000 174.6132 18 D 4.9905 8.5916 111.4595 53.1412 42.6818 174.9877 19 P 4.4830 0.0000 0.0000 65.4894 32.1604 178.9041 20 D 4.5848 8.2114 116.5373 56.3311 40.8430 176.4097 21 N 4.9333 8.3740 116.3528 52.9275 39.2453 175.2154 22 G 3.9025 8.4792 105.1351 45.3564 0.0000 173.9568 23 I 4.3962 7.5583 120.5842 58.8580 38.8088 175.4877 24 S 4.5831 8.3966 120.3624 56.9426 63.8300 172.0082 25 P 4.2153 0.0000 0.0000 64.6106 31.4521 176.8958 26 G 3.8939 9.0603 110.5186 45.6295 0.0000 173.2409 27 T 4.3631 7.2141 115.6309 62.0835 69.0315 175.2247 28 K 4.4147 8.9244 126.7703 55.9815 33.0915 177.9117 29 F 3.2030 9.4351 124.4272 61.4618 38.7918 177.6780 30 E 3.8956 8.0476 115.9670 58.5372 29.3807 177.9724 31 E 4.1710 7.6601 116.7881 55.7111 30.3228 176.6794 32 L 3.7200 6.3764 119.7510 53.4668 42.3636 175.3896 33 P 4.3331 0.0000 0.0000 62.7154 31.8934 177.4086 34 D 4.3227 8.5974 120.4490 56.8882 40.8905 177.1646 35 D 4.7541 7.8374 116.0375 52.4156 39.8123 176.1922 36 W 4.1073 7.8509 130.3001 57.8307 31.1068 175.4006 37 V 4.2876 6.7004 116.6340 58.6697 35.2769 174.8619 38 C 3.7280 8.5836 121.9077 59.2724 31.4910 172.9570 39 P 4.1278 0.0000 0.0000 64.6785 31.4686 177.4411 40 I 3.9819 7.3846 119.6010 63.3050 37.6033 176.3066 41 C 4.4674 7.9631 111.1033 57.3953 30.8259 174.7087 42 G 3.7596 8.1217 108.3743 45.1513 0.0000 173.6681 43 A 4.1187 7.5578 122.7986 51.2383 19.2132 176.0505 44 P 4.8343 0.0000 0.0000 61.8900 32.5512 177.7630 45 K 4.2846 8.8499 119.1658 59.7504 32.0484 179.6768 46 S 4.3491 8.3323 112.2547 60.8989 62.9945 174.6437 47 E 4.5582 8.8154 119.9675 56.2511 29.3598 175.0482 48 F 5.3653 8.2978 117.7390 55.9885 41.2561 174.9339 49 E 4.8111 9.0597 121.9963 54.1071 32.9126 174.7498 50 K 3.1754 8.0908 127.7608 55.9995 32.9918 176.7429 51 L 4.3833 8.1917 128.7153 53.7181 40.9682 175.7242 52 E 4.4867 8.6767 121.6238 56.6712 31.6367 177.0566 53 D 4.6870 8.8079 117.6142 53.8741 39.7977 174.4953 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 0 M 8.30 4.38 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 1 A 8.67 4.47 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.18 5.28 0.00 1.69 1.69 0.00 1.48 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.47 7.81 3 W 9.45 5.44 0.00 3.33 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 4 V 8.85 4.85 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 0.79 0.00 0.00 0.97 0.00 0.00 5 C 8.94 3.49 0.00 2.50 2.78 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 6 K 8.75 4.08 0.00 1.70 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.47 7.81 7 I 7.83 3.94 1.83 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 1.43 0.73 0.89 0.00 0.00 8 C 8.15 4.58 0.00 3.06 3.01 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 0.00 0.00 0.00 9 G 8.29 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.89 4.28 0.00 3.18 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 11 I 7.48 4.79 1.70 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 1.30 0.98 0.88 0.00 0.00 12 Y 9.35 4.32 0.00 3.61 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.95 4.75 0.00 2.62 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.96 3.84 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.68 0.00 15 D 8.42 4.23 0.00 2.78 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 16 A 7.82 4.25 1.26 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 0.00 0.00 0.00 17 G 7.82 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.59 4.99 0.00 3.25 2.88 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 0.00 0.00 0.00 19 P 0.00 4.48 0.00 2.26 2.12 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 20 D 8.21 4.58 0.00 2.72 2.76 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 21 N 8.37 4.93 0.00 3.02 2.81 0.00 0.00 7.14 7.68 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 22 G 8.48 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.56 4.40 2.18 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.87 0.89 0.00 0.00 24 S 8.40 4.58 0.00 4.01 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 25 P 0.00 4.22 0.00 2.06 2.23 0.00 3.69 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 2.04 2.25 0.00 26 G 9.06 3.89 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 0.00 0.00 0.00 27 T 7.21 4.36 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 1.08 0.00 0.00 28 K 8.92 4.41 0.00 1.90 1.95 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.41 7.81 29 F 9.44 3.20 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.05 3.90 0.00 1.95 1.97 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 2.40 2.53 0.00 31 E 7.66 4.17 0.00 1.91 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 2.24 2.27 0.00 32 L 6.38 3.72 0.00 0.79 0.79 -1.71 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.33 0.00 2.28 1.95 0.00 3.41 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 34 D 8.60 4.32 0.00 2.61 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 35 D 7.84 4.75 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 7.85 4.11 0.00 3.09 2.97 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 37 V 6.70 4.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.62 0.00 0.00 38 C 8.58 3.73 0.00 3.20 2.88 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 0.00 0.00 0.00 39 P 0.00 4.13 0.00 2.00 1.97 0.00 3.10 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.80 0.00 40 I 7.38 3.98 1.83 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 1.14 0.95 0.92 0.00 0.00 41 C 7.96 4.47 0.00 3.02 2.99 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 0.00 0.00 0.00 42 G 8.12 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 0.00 0.00 0.00 43 A 7.56 4.12 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 44 P 0.00 4.83 0.00 2.28 2.04 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 45 K 8.85 4.28 0.00 1.86 1.95 0.00 1.45 0.00 0.00 1.66 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.66 7.81 46 S 8.33 4.35 0.00 4.07 4.11 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 0.00 0.00 0.00 0.00 47 E 8.82 4.56 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 48 F 8.30 5.37 0.00 3.17 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.06 4.81 0.00 2.05 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 50 K 8.09 3.18 0.00 0.79 0.95 0.00 1.20 0.00 0.00 1.49 0.00 0.00 2.61 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.76 0.21 7.81 51 L 8.19 4.38 0.00 1.50 1.54 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.68 4.49 0.00 1.90 1.70 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 1.83 2.04 0.00 53 D 8.81 4.69 0.00 2.84 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00