NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4412 8.3001 118.1943 54.6954 32.6630 176.2725 2 A 4.3473 7.6396 118.7553 52.9457 20.1258 174.0212 3 V 3.7972 8.0974 121.3640 66.5673 32.5266 175.3156 4 K 3.7919 7.8665 119.8225 59.8215 31.5369 177.4303 5 L 3.9991 7.0841 119.5343 58.1114 42.2601 178.7284 6 M 4.4200 7.8209 125.3097 53.8243 30.2174 176.7592 7 G 4.7114 7.5740 120.0045 44.3243 0.0000 173.3121 8 V 3.6527 7.4180 121.9303 64.7606 31.3954 176.9393 9 D 4.3341 8.0460 118.8790 56.6738 40.5860 178.7787 10 K 3.9883 7.8041 119.0933 59.4075 31.9702 179.2619 11 I 3.7272 7.6775 113.4463 63.9433 37.0173 178.1360 12 K 4.0478 8.4856 121.5747 58.6860 32.0175 178.3256 13 S 4.0534 7.7634 113.0566 60.2902 62.4743 175.1481 14 K 3.9407 8.3466 123.4284 59.4630 31.8695 178.5518 15 I 3.7028 7.7805 118.2854 64.4054 37.1647 178.4711 16 L 3.9574 7.4568 119.3517 58.1229 41.4622 179.3491 17 D 4.3382 8.5905 118.9542 57.2869 40.6813 178.4380 18 D 4.2512 8.7961 118.6636 57.2322 41.4516 177.9464 19 A 3.9745 8.4210 121.3747 55.3689 18.4858 179.7000 20 K 3.9031 8.2848 116.7292 59.5980 31.9985 179.4710 21 A 4.0054 8.2926 121.2565 55.0327 18.1619 179.2319 22 E 3.8325 8.4576 117.8091 59.4183 29.2413 178.7832 23 A 4.1141 7.9838 119.7091 54.3567 18.1763 178.9804 24 N 4.4629 8.1769 115.0652 55.2889 38.9299 176.9049 25 K 3.8780 8.3879 120.6974 57.8974 32.5569 178.0394 26 I 3.9508 7.5336 119.1193 63.1593 37.8706 177.4833 27 I 3.9521 7.4779 113.1491 63.4119 37.5355 178.3706 28 S 4.2013 7.5752 116.4686 61.3501 62.5583 176.4403 29 E 3.9656 8.0728 120.2806 59.3383 29.0760 178.4878 30 A 4.2479 7.7232 120.5595 54.0767 18.8116 178.9361 31 E 4.0761 8.3167 114.9647 60.0800 29.4967 178.6972 32 A 4.0823 8.3873 122.1777 54.3103 18.3778 179.0049 33 E 3.8877 8.2417 114.0726 59.3263 29.8850 179.4990 34 K 3.8245 8.6457 119.4126 59.7171 32.4438 178.5653 35 A 4.2471 8.2326 120.6887 54.3705 18.1713 179.7623 36 K 4.0242 7.8603 117.7600 59.4587 32.4787 179.4714 37 I 3.7763 8.3179 113.5045 63.7472 37.0924 178.1727 38 L 4.0777 8.6312 121.6382 57.2447 40.9403 178.7675 39 E 4.2486 7.8310 116.1478 58.2832 30.0046 178.9599 40 K 3.9651 8.2994 119.5545 59.1396 32.2423 179.2190 41 A 4.2033 8.3248 122.5874 54.7276 18.3114 179.5250 42 K 3.9813 7.6773 116.9226 59.8531 32.0840 178.3171 43 E 4.1264 7.9601 118.6597 58.7385 29.3498 178.3894 44 E 3.9979 8.6928 117.5585 59.8800 29.2358 179.2858 45 A 4.0034 8.4123 120.8459 54.7476 18.5113 179.2590 46 E 4.0722 7.6626 116.6402 59.3652 29.6776 179.4229 47 K 4.3407 8.4088 117.9143 58.6701 33.3100 177.1519 48 R 4.2511 7.9005 122.8753 53.7125 28.8789 175.5257 49 K 3.8806 8.2674 124.0997 56.2846 32.6978 174.7306 50 A 3.6340 8.5295 126.4585 52.3656 15.2259 176.2787 51 E 4.3986 8.3519 117.2861 56.5179 32.0124 176.6469 52 I 3.5897 7.8561 123.2679 61.6069 37.3603 173.2976 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 8.30 4.44 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 2 A 7.64 4.35 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.80 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 0.75 0.00 0.00 0.93 0.00 0.00 4 K 7.87 3.79 0.00 1.73 1.78 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.55 7.81 5 L 7.08 4.00 0.00 1.67 1.59 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 6 M 7.82 4.42 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 7 G 7.57 4.71 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 0.00 0.00 0.00 8 V 7.42 3.65 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 0.99 0.00 0.00 0.93 0.00 0.00 9 D 8.05 4.33 0.00 2.79 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 10 K 7.80 3.99 0.00 1.97 1.84 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.43 7.81 11 I 7.68 3.73 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 0.91 0.00 0.00 12 K 8.49 4.05 0.00 1.81 1.98 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.58 7.81 13 S 7.76 4.05 0.00 3.91 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 14 K 8.35 3.94 0.00 2.04 1.72 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.63 7.81 15 I 7.78 3.70 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.35 0.91 0.00 0.00 16 L 7.46 3.96 0.00 1.63 1.71 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.59 4.34 0.00 2.80 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 18 D 8.80 4.25 0.00 2.76 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 A 8.42 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 3.90 0.00 2.03 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.51 7.81 21 A 8.29 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 3.83 0.00 2.25 1.96 0.00 0.00 0.00 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 2.33 0.00 23 A 7.98 4.11 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.18 4.46 0.00 2.95 2.87 0.00 0.00 6.40 6.96 0.00 0.00 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 K 8.39 3.88 0.00 2.08 1.79 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.47 7.81 26 I 7.53 3.95 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.08 0.96 0.00 0.00 27 I 7.48 3.95 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.92 0.93 0.00 0.00 28 S 7.58 4.20 0.00 3.71 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 29 E 8.07 3.97 0.00 2.12 2.01 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 2.30 2.60 0.00 30 A 7.72 4.25 1.40 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 0.00 0.00 0.00 31 E 8.32 4.08 0.00 2.15 2.30 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 2.57 2.35 0.00 32 A 8.39 4.08 1.40 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 0.00 0.00 0.00 33 E 8.24 3.89 0.00 2.21 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 0.00 2.33 2.33 0.00 34 K 8.65 3.82 0.00 1.77 1.90 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 35 A 8.23 4.25 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 36 K 7.86 4.02 0.00 2.02 1.85 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.56 7.81 37 I 8.32 3.78 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.97 0.91 0.00 0.00 38 L 8.63 4.08 0.00 1.78 1.76 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.83 4.25 0.00 2.35 2.25 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 2.32 2.64 0.00 40 K 8.30 3.97 0.00 1.88 1.89 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.55 7.81 41 A 8.32 4.20 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.68 3.98 0.00 2.01 1.89 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.54 7.81 43 E 7.96 4.13 0.00 2.29 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 2.36 2.47 0.00 44 E 8.69 4.00 0.00 2.17 2.26 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 2.51 2.35 0.00 45 A 8.41 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.66 4.07 0.00 2.16 2.02 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 2.32 2.57 0.00 47 K 8.41 4.34 0.00 1.83 1.94 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.70 7.81 48 R 7.90 4.25 0.00 1.80 1.95 0.00 3.43 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 49 K 8.27 3.88 0.00 1.78 1.77 0.00 1.96 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.39 7.81 50 A 8.53 3.63 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.35 4.40 0.00 2.03 2.02 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 2.15 2.28 0.00 52 I 7.86 3.59 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.70 0.91 0.00 0.00