NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.4580 8.3401 118.3647 59.8011 29.7611 174.1408 2 A 4.2271 8.1804 126.8166 50.9273 17.0579 172.3972 3 V 3.9328 7.5367 116.6278 62.5164 33.5494 175.5605 4 E 4.9666 7.8957 117.2266 56.0339 30.0018 176.4250 5 L 4.3756 8.2873 120.6605 57.7230 43.5183 176.2139 6 R 4.3136 8.0305 115.2120 57.1588 31.4570 175.8424 7 S 4.5451 7.7260 114.9003 55.9259 64.5715 172.2907 8 P 5.3973 0.0000 0.0000 60.9573 29.5456 175.1742 9 G 3.7006 7.9791 114.9627 47.4194 0.0000 170.6153 10 I 4.0621 8.8052 128.7776 62.4908 35.8887 175.6790 11 S 3.9712 8.0920 113.3564 61.7191 61.7587 176.1425 12 R 4.0582 7.6510 119.4631 58.5494 29.9929 177.3022 13 F 4.6574 8.1323 119.6022 59.5344 40.1729 177.5482 14 R 3.2730 8.5986 116.7308 59.1771 29.0436 179.1688 15 R 3.8744 7.5731 117.3579 58.6923 29.8046 178.9112 16 K 3.8760 7.8888 119.1077 59.3558 32.1523 178.8757 17 I 3.6304 7.3584 119.7203 64.2450 37.0389 178.2829 18 A 3.9556 7.8076 121.5949 55.1064 18.3075 179.8442 19 K 4.1687 8.6529 117.2675 59.2475 31.7708 179.4748 20 R 4.0449 7.3408 118.5067 58.9245 30.2692 178.1056 21 S 4.2338 7.8335 112.5509 61.4394 62.4789 176.0275 22 I 3.6955 8.1697 122.8828 64.3088 36.7411 178.1681 23 K 3.9236 7.7000 118.9990 60.0028 31.7466 178.9664 24 T 3.8760 7.5364 114.7228 66.3450 68.3857 176.1647 25 L 4.1043 7.7100 120.9927 58.2489 42.2551 178.3783 26 E 4.2120 8.4576 118.7266 59.2382 30.0270 177.6656 27 H 4.8019 8.2718 116.2950 56.1135 27.4004 174.3739 28 K 4.4295 7.7047 120.6440 57.4742 34.9621 176.7254 29 R 4.1590 7.8343 117.4144 57.9186 30.2793 177.1338 30 E 4.3729 7.5219 116.5580 56.5114 30.1760 175.6546 31 N 4.9986 7.7911 117.3272 52.0479 39.5008 173.8232 32 A 4.6811 7.7236 117.9194 51.7986 23.5658 176.8439 33 K 3.6729 8.3685 121.2163 57.3542 31.3213 175.2297 34 E 4.1896 8.7474 129.2081 57.5354 29.5610 173.9838 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 C 8.34 4.46 0.00 2.98 2.94 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 2 A 8.18 4.23 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 3.93 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 1.00 0.00 0.00 0.94 0.00 0.00 4 E 7.90 4.97 0.00 2.02 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 2.16 2.26 0.00 5 L 8.29 4.38 0.00 1.60 1.71 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.03 4.31 0.00 1.78 1.89 0.00 3.23 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 7 S 7.73 4.55 0.00 3.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.40 0.00 2.24 2.23 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.93 0.00 9 G 7.98 3.70 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 0.00 0.00 0.00 10 I 8.81 4.06 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.77 1.18 0.00 0.00 11 S 8.09 3.97 0.00 3.92 3.91 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 0.00 0.00 0.00 12 R 7.65 4.06 0.00 2.03 2.02 0.00 3.51 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 13 F 8.13 4.66 0.00 3.12 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 14 R 8.60 3.27 0.00 1.87 2.17 0.00 2.80 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 15 R 7.57 3.87 0.00 1.90 1.99 0.00 3.12 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 16 K 7.89 3.88 0.00 1.78 1.78 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.50 7.81 17 I 7.36 3.63 1.79 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.88 0.81 0.00 0.00 18 A 7.81 3.96 1.34 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 0.00 0.00 19 K 8.65 4.17 0.00 1.97 1.86 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.55 7.81 20 R 7.34 4.04 0.00 1.86 2.09 0.00 3.25 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 21 S 7.83 4.23 0.00 3.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.17 3.70 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.46 0.93 0.00 0.00 23 K 7.70 3.92 0.00 2.07 1.79 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.51 7.81 24 T 7.54 3.88 4.36 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 1.21 0.00 0.00 25 L 7.71 4.10 0.00 1.66 1.74 0.92 0.91 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 26 E 8.46 4.21 0.00 2.33 1.93 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 2.31 2.34 0.00 27 H 8.27 4.80 0.00 3.17 3.32 0.00 5.79 0.00 0.00 0.00 0.00 8.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.70 4.43 0.00 1.95 1.66 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.33 7.81 29 R 7.83 4.16 0.00 1.93 2.04 0.00 3.11 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 30 E 7.52 4.37 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 2.26 2.21 0.00 31 N 7.79 5.00 0.00 2.61 2.76 0.00 0.00 6.78 7.99 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 32 A 7.72 4.68 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 33 K 8.37 3.67 0.00 1.90 0.99 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.35 7.81 34 E 8.75 4.19 0.00 1.87 1.73 0.00 0.00 0.00 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