NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4875 8.2516 119.7411 55.3247 32.7306 172.1436 2 V 4.0661 7.5633 120.7226 60.2123 33.7936 172.4342 3 K 4.8889 8.7740 128.3203 55.0862 34.0760 175.6780 4 V 4.2633 9.0323 125.8921 61.3451 33.1455 174.4657 5 K 5.2181 8.4437 127.3701 54.8909 34.3233 175.3674 6 F 4.9151 8.3560 117.5643 56.1348 41.7265 172.5038 7 K 4.9525 8.8917 119.2441 55.3623 34.3234 175.0491 8 Y 4.4677 8.6960 125.6482 56.3725 41.0280 175.0217 9 K 3.5275 8.8446 128.8099 57.3200 28.7323 178.0007 10 G 4.0617 8.0637 109.1627 46.3118 0.0000 173.5415 11 E 4.1409 8.1792 120.5431 55.7592 30.0441 175.3579 12 E 4.4687 8.5694 125.2628 55.8580 30.5795 175.6132 13 K 4.6188 9.0667 124.9810 54.6435 36.9853 174.9378 14 E 5.1974 8.3839 120.2642 54.7516 33.3522 175.7033 15 V 4.4278 8.6262 121.9902 60.2690 35.2768 173.5480 16 D 4.9216 8.6608 123.4122 53.5178 42.2938 177.1675 17 T 3.8847 8.4574 116.4919 64.4803 68.7374 176.4090 18 S 4.2004 8.0566 115.9667 60.4508 63.3168 175.0775 19 K 4.3207 8.2495 119.8196 56.6354 32.3553 176.2298 20 I 4.4948 7.2941 121.0462 61.0662 37.5281 175.7549 21 K 4.4588 8.9724 125.1737 57.9157 33.4756 177.1084 22 K 4.8135 7.9170 119.3711 55.2077 36.0791 175.1840 23 V 5.1798 8.5251 125.2257 61.3814 35.1494 173.7350 24 W 5.3682 8.6626 123.0693 55.6334 32.1686 172.9570 25 R 5.0906 8.8273 118.4945 54.7013 33.0096 174.5944 26 A 4.6078 9.0128 128.4207 50.8684 21.0956 176.3738 27 G 3.7560 8.3009 114.0071 48.1747 0.0000 173.4473 28 K 4.4718 8.5946 124.4155 56.4032 32.3354 174.7892 29 M 4.6299 8.0850 121.1320 54.1632 34.0390 174.8797 30 V 4.5550 8.7423 126.8873 61.6367 33.3760 174.4227 31 S 4.7774 7.7864 124.2741 56.7530 65.9729 173.3620 32 F 4.8827 7.4488 116.9994 56.1672 41.7495 172.6259 33 T 5.3612 9.1229 108.6002 60.3812 72.1446 172.4930 34 Y 5.2368 8.3795 119.3937 55.8691 42.0775 173.8799 35 D 4.7113 9.0555 121.6848 53.6540 38.9402 175.5656 36 D 4.6576 8.7766 125.5036 52.8807 42.1148 175.1211 37 N 4.5190 8.4403 120.5390 56.3174 37.6657 172.3644 38 G 4.2666 9.1515 114.8823 44.6965 0.0000 171.5795 39 K 4.5140 7.2544 116.5636 54.7418 35.2116 174.5923 40 T 4.6680 8.2442 116.0033 62.4128 69.3190 175.2060 41 G 3.5352 8.3459 114.5056 44.6437 0.0000 172.2343 42 R 5.0259 7.5957 118.1719 54.3967 33.5923 175.2652 43 G 3.2157 7.3242 105.7550 45.5350 0.0000 171.9970 44 A 4.8523 7.7092 120.6151 50.7794 22.3797 175.6883 45 V 4.5661 8.5840 111.7074 59.7601 37.0997 174.6546 46 S 4.4996 8.6101 116.4506 58.0023 63.2272 174.7857 47 E 3.9798 8.6707 126.1746 59.4588 29.3563 179.5798 48 K 4.1511 8.0067 115.7760 58.7151 32.9676 177.0319 49 D 4.7191 7.9326 118.0191 53.8452 41.2967 176.0461 50 A 4.2951 7.5843 123.8015 50.6528 19.5209 176.0866 51 P 4.4585 0.0000 0.0000 61.8918 32.6595 177.0390 52 K 3.7484 8.8611 121.6242 60.0878 31.8472 178.1866 53 E 3.8531 8.2254 118.6664 59.4509 29.4013 178.5466 54 L 3.8474 7.9637 120.0567 58.1200 42.0519 178.9512 55 L 4.0169 7.7990 118.4768 57.7904 41.5602 179.0960 56 D 4.3377 8.4076 119.2981 57.5229 40.7502 178.5675 57 M 4.0439 8.0260 119.3128 58.1814 31.9091 178.5972 58 L 3.9425 7.8717 120.1918 58.2224 42.1334 178.8244 59 A 4.2063 8.0394 119.5690 55.3490 18.5562 179.5769 60 R 4.0133 8.2648 116.3688 59.3091 29.6542 178.9952 61 A 4.2109 8.1877 120.6202 55.3661 18.1333 179.5510 62 E 4.0578 8.1941 116.0214 58.8443 29.5889 178.7880 63 R 4.4216 7.6936 116.2094 55.3829 30.8866 176.5135 64 E 3.8696 7.1947 117.3950 57.3487 29.7335 177.0565 65 K 4.3687 9.4005 121.8895 55.5086 32.5829 176.9536 66 K 4.0270 8.0077 124.2782 56.3658 32.4910 174.6191 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 8.25 4.49 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 2 V 7.56 4.07 2.03 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 0.87 0.00 0.00 0.97 0.00 0.00 3 K 8.77 4.89 0.00 1.65 1.70 0.00 1.76 0.00 0.00 1.60 0.00 0.00 3.12 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.34 7.81 4 V 9.03 4.26 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 0.90 0.00 0.00 0.71 0.00 0.00 5 K 8.44 5.22 0.00 1.69 1.69 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.39 7.81 6 F 8.36 4.92 0.00 3.15 3.19 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 7 K 8.89 4.95 0.00 1.77 1.96 0.00 1.46 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.53 7.81 8 Y 8.70 4.47 0.00 3.12 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 3.53 0.00 2.03 1.82 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.87 1.22 7.81 10 G 8.06 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.18 4.14 0.00 2.22 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 2.33 2.26 0.00 12 E 8.57 4.47 0.00 1.92 1.78 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 2.24 2.31 0.00 13 K 9.07 4.62 0.00 0.79 1.18 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.22 1.24 7.81 14 E 8.38 5.20 0.00 1.72 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 2.12 2.18 0.00 15 V 8.63 4.43 1.66 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 0.71 0.00 0.00 0.64 0.00 0.00 16 D 8.66 4.92 0.00 2.75 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.46 3.88 4.15 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 0.00 0.00 1.15 0.00 0.00 18 S 8.06 4.20 0.00 4.03 4.03 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 19 K 8.25 4.32 0.00 1.95 2.01 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.60 7.81 20 I 7.29 4.49 1.93 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 1.16 0.46 0.89 0.00 0.00 21 K 8.97 4.46 0.00 1.72 1.92 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.45 7.81 22 K 7.92 4.81 0.00 1.76 1.88 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.64 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.66 1.52 7.81 23 V 8.53 5.18 2.14 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 0.84 0.00 0.00 0.92 0.00 0.00 24 W 8.66 5.37 0.00 3.38 3.22 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 0.00 0.00 0.00 0.00 25 R 8.83 5.09 0.00 1.81 1.85 0.00 3.22 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 26 A 9.01 4.61 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 27 G 8.30 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 28 K 8.59 4.47 0.00 1.83 1.83 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.42 7.81 29 M 8.08 4.63 0.00 2.27 1.92 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 30 V 8.74 4.56 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 0.87 0.00 0.00 0.91 0.00 0.00 31 S 7.79 4.78 0.00 2.72 2.90 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 32 F 7.45 4.88 0.00 3.12 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 33 T 9.12 5.36 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 34 Y 8.38 5.24 0.00 3.22 3.13 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 0.00 0.00 0.00 35 D 9.06 4.71 0.00 2.73 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 D 8.78 4.66 0.00 2.53 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.44 4.52 0.00 2.76 2.79 0.00 0.00 7.25 7.98 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 38 G 9.15 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.25 4.51 0.00 1.91 1.90 0.00 1.30 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.31 7.81 40 T 8.24 4.67 4.19 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 1.15 0.00 0.00 41 G 8.35 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.60 5.03 0.00 1.16 1.49 0.00 3.33 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 43 G 7.32 3.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.71 4.85 1.03 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 0.00 0.00 45 V 8.58 4.57 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 0.78 0.00 0.00 0.95 0.00 0.00 46 S 8.61 4.50 0.00 3.87 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 47 E 8.67 3.98 0.00 2.09 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 2.33 2.36 0.00 48 K 8.01 4.15 0.00 1.86 1.94 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.46 7.81 49 D 7.93 4.72 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.58 4.30 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 51 P 0.00 4.46 0.00 2.19 2.15 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 52 K 8.86 3.75 0.00 1.82 1.86 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.67 1.52 7.81 53 E 8.23 3.85 0.00 2.07 1.89 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 2.33 2.39 0.00 54 L 7.96 3.85 0.00 1.64 1.67 0.59 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.80 4.02 0.00 1.84 1.69 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.41 4.34 0.00 2.80 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 57 M 8.03 4.04 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.52 0.00 58 L 7.87 3.94 0.00 1.78 1.89 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.04 4.21 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.26 4.01 0.00 2.12 2.00 0.00 3.14 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 1.65 1.64 0.00 61 A 8.19 4.21 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.19 4.06 0.00 2.16 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 2.39 2.55 0.00 63 R 7.69 4.42 0.00 1.90 1.98 0.00 3.20 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 64 E 7.19 3.87 0.00 2.00 1.95 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 2.37 2.56 0.00 65 K 9.40 4.37 0.00 1.74 1.83 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.45 7.81 66 K 8.01 4.03 0.00 1.84 1.86 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.22 1.10 7.81